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bpti.pdb@ 321470

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Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable

Last change on this file since 321470 was 936a02, checked in by Frederik Heber <heber@…>, 13 years ago

Creating data dir for bondtables, databases, and molecules.

Moved .db files from src/Element to data/databases.
Added bondtable.dat from VSpeShape (kudos Christian Neuen) to data/bondtables as an initial bond table from geometry optimization of bielemental systems.
Added some abitrary molecules to data/molecules.
Added src/documentation/data.dox to explain purpose of the folder.

Property mode set to 100644

File size: 76.0 KB

Rev	Line
[936a02]	1	SSBOND 1 CYS 5 CYS 55
	2	SSBOND 2 CYS 14 CYS 38
	3	SSBOND 3 CYS 30 CYS 51
	4	HETATM 1 N ARG 1 29.292 13.212 -12.751
	5	HETATM 2 CA ARG 1 29.057 12.019 -11.946
	6	HETATM 3 C ARG 1 30.419 11.466 -11.478
	7	HETATM 4 O ARG 1 31.064 10.670 -12.174
	8	HETATM 5 CB ARG 1 28.297 10.939 -12.700
	9	HETATM 6 CG ARG 1 27.925 9.695 -11.892
	10	HETATM 7 CD ARG 1 26.990 10.102 -10.814
	11	HETATM 8 NE ARG 1 25.671 9.509 -10.875
	12	HETATM 9 CZ ARG 1 25.299 8.414 -10.207
	13	HETATM 10 NH1 ARG 1 26.105 7.749 -9.392
	14	HETATM 11 NH2 ARG 1 24.055 7.949 -10.340
	15	HETATM 12 H ARG 1 28.511 13.716 -13.147
	16	HETATM 13 HA ARG 1 28.436 12.305 -11.097
	17	HETATM 14 1HB ARG 1 27.397 11.368 -13.141
	18	HETATM 15 2HB ARG 1 28.994 10.583 -13.459
	19	HETATM 16 1HG ARG 1 27.435 8.971 -12.544
	20	HETATM 17 2HG ARG 1 28.819 9.242 -11.464
	21	HETATM 18 1HD ARG 1 27.439 9.890 -9.844
	22	HETATM 19 2HD ARG 1 26.831 11.170 -10.962
	23	HETATM 20 HE ARG 1 25.465 8.868 -11.628
	24	HETATM 21 1HH1 ARG 1 27.053 8.068 -9.253
	25	HETATM 22 2HH1 ARG 1 25.767 6.926 -8.913
	26	HETATM 23 1HH2 ARG 1 23.402 8.427 -10.944
	27	HETATM 24 2HH2 ARG 1 23.772 7.121 -9.836
	28	ATOM 25 N PRO 2 30.790 11.942 -10.291
	29	ATOM 26 CA PRO 2 32.005 11.512 -9.585
	30	ATOM 27 C PRO 2 32.010 9.993 -9.473
	31	ATOM 28 O PRO 2 30.968 9.316 -9.390
	32	ATOM 29 CB PRO 2 31.892 12.166 -8.209
	33	ATOM 30 CG PRO 2 31.000 13.378 -8.442
	34	ATOM 31 CD PRO 2 29.997 12.890 -9.480
	35	ATOM 32 HA PRO 2 32.927 11.796 -10.092
	36	ATOM 33 1HB PRO 2 31.400 11.480 -7.520
	37	ATOM 34 2HB PRO 2 32.861 12.429 -7.785
	38	ATOM 35 1HG PRO 2 30.476 13.626 -7.519
	39	ATOM 36 2HG PRO 2 31.551 14.263 -8.759
	40	ATOM 37 1HD PRO 2 29.683 13.727 -10.103
	41	ATOM 38 2HD PRO 2 29.100 12.448 -9.046
	42	ATOM 39 N ASP 3 33.188 9.438 -9.467
	43	ATOM 40 CA ASP 3 33.386 7.984 -9.444
	44	ATOM 41 C ASP 3 32.859 7.313 -8.187
	45	ATOM 42 O ASP 3 32.477 6.121 -8.298
	46	ATOM 43 CB ASP 3 34.849 7.659 -9.800
	47	ATOM 44 CG ASP 3 35.257 8.386 -11.083
	48	ATOM 45 OD1 ASP 3 34.882 7.832 -12.153
	49	ATOM 46 OD2 ASP 3 35.864 9.473 -10.980
	50	ATOM 47 H ASP 3 34.002 10.035 -9.479
	51	ATOM 48 HA ASP 3 32.763 7.534 -10.217
	52	ATOM 49 1HB ASP 3 35.500 7.971 -8.983
	53	ATOM 50 2HB ASP 3 34.944 6.585 -9.957
	54	ATOM 51 N PHE 4 32.841 8.042 -7.067
	55	ATOM 52 CA PHE 4 32.406 7.481 -5.780
	56	ATOM 53 C PHE 4 30.894 7.286 -5.768
	57	ATOM 54 O PHE 4 30.393 6.509 -4.938
	58	ATOM 55 CB PHE 4 32.998 8.208 -4.578
	59	ATOM 56 CG PHE 4 32.588 9.662 -4.482
	60	ATOM 57 CD1 PHE 4 31.311 9.973 -3.991
	61	ATOM 58 CD2 PHE 4 33.414 10.650 -4.951
	62	ATOM 59 CE1 PHE 4 30.896 11.308 -3.928
	63	ATOM 60 CE2 PHE 4 33.041 12.001 -4.878
	64	ATOM 61 CZ PHE 4 31.765 12.300 -4.388
	65	ATOM 62 H PHE 4 33.135 9.007 -7.106
	66	ATOM 63 HA PHE 4 32.827 6.481 -5.672
	67	ATOM 64 1HB PHE 4 32.713 7.689 -3.663
	68	ATOM 65 2HB PHE 4 34.080 8.199 -4.712
	69	ATOM 66 HD1 PHE 4 30.650 9.184 -3.663
	70	ATOM 67 HD2 PHE 4 34.367 10.385 -5.384
	71	ATOM 68 HE1 PHE 4 29.925 11.566 -3.532
	72	ATOM 69 HE2 PHE 4 33.717 12.784 -5.190
	73	ATOM 70 HZ PHE 4 31.442 13.330 -4.365
	74	ATOM 71 N CYS 5 30.213 7.889 -6.711
	75	ATOM 72 CA CYS 5 28.751 7.756 -6.894
	76	ATOM 73 C CYS 5 28.333 6.353 -7.318
	77	ATOM 74 O CYS 5 27.197 5.876 -7.108
	78	ATOM 75 CB CYS 5 28.387 8.851 -7.898
	79	ATOM 76 SG CYS 5 28.579 10.549 -7.280
	80	ATOM 77 H CYS 5 30.718 8.482 -7.354
	81	ATOM 78 HA CYS 5 28.203 7.888 -5.961
	82	ATOM 79 1HB CYS 5 27.363 8.703 -8.242
	83	ATOM 80 2HB CYS 5 29.101 8.752 -8.715
	84	ATOM 81 N LEU 6 29.193 5.558 -7.897
	85	ATOM 82 CA LEU 6 29.077 4.189 -8.326
	86	ATOM 83 C LEU 6 29.483 3.225 -7.187
	87	ATOM 84 O LEU 6 29.266 1.982 -7.343
	88	ATOM 85 CB LEU 6 29.823 3.914 -9.616
	89	ATOM 86 CG LEU 6 29.250 4.089 -11.024
	90	ATOM 87 CD1 LEU 6 28.437 5.346 -11.272
	91	ATOM 88 CD2 LEU 6 30.480 4.138 -11.961
	92	ATOM 89 H LEU 6 30.095 5.976 -8.074
	93	ATOM 90 HA LEU 6 28.028 4.005 -8.556
	94	ATOM 91 1HB LEU 6 30.813 4.368 -9.567
	95	ATOM 92 2HB LEU 6 29.760 2.826 -9.579
	96	ATOM 93 HG LEU 6 28.552 3.268 -11.190
	97	ATOM 94 1HD1 LEU 6 27.559 5.344 -10.626
	98	ATOM 95 2HD1 LEU 6 29.047 6.222 -11.054
	99	ATOM 96 3HD1 LEU 6 28.120 5.374 -12.315
	100	ATOM 97 1HD2 LEU 6 31.089 3.247 -11.809
	101	ATOM 98 2HD2 LEU 6 30.146 4.177 -12.998
	102	ATOM 99 3HD2 LEU 6 31.072 5.025 -11.737
	103	ATOM 100 N GLU 7 29.975 3.690 -6.075
	104	ATOM 101 CA GLU 7 30.343 2.830 -4.930
	105	ATOM 102 C GLU 7 29.096 2.241 -4.249
	106	ATOM 103 O GLU 7 28.116 2.999 -4.165
	107	ATOM 104 CB GLU 7 30.967 3.613 -3.776
	108	ATOM 105 CG GLU 7 32.359 3.902 -3.452
	109	ATOM 106 CD GLU 7 32.867 5.001 -2.582
	110	ATOM 107 OE1 GLU 7 32.230 5.418 -1.584
	111	ATOM 108 OE2 GLU 7 33.979 5.507 -2.848
	112	ATOM 109 H GLU 7 30.112 4.687 -5.990
	113	ATOM 110 HA GLU 7 31.017 2.094 -5.368
	114	ATOM 111 1HB GLU 7 30.354 4.487 -3.556
	115	ATOM 112 2HB GLU 7 30.997 2.712 -3.163
	116	ATOM 113 1HG GLU 7 32.874 2.974 -3.204
	117	ATOM 114 2HG GLU 7 32.585 4.401 -4.394
	118	ATOM 115 N PRO 8 29.242 1.021 -3.736
	119	ATOM 116 CA PRO 8 28.178 0.413 -2.939
	120	ATOM 117 C PRO 8 28.214 1.124 -1.566
	121	ATOM 118 O PRO 8 29.236 1.677 -1.137
	122	ATOM 119 CB PRO 8 28.549 -1.058 -2.811
	123	ATOM 120 CG PRO 8 30.015 -1.151 -3.101
	124	ATOM 121 CD PRO 8 30.413 0.125 -3.811
	125	ATOM 122 HA PRO 8 27.180 0.504 -3.367
	126	ATOM 123 1HB PRO 8 28.358 -1.393 -1.792
	127	ATOM 124 2HB PRO 8 27.967 -1.677 -3.494
	128	ATOM 125 1HG PRO 8 30.566 -1.233 -2.164
	129	ATOM 126 2HG PRO 8 30.236 -2.024 -3.715
	130	ATOM 127 1HD PRO 8 30.636 -0.095 -4.855
	131	ATOM 128 2HD PRO 8 31.295 0.578 -3.358
	132	ATOM 129 N PRO 9 27.095 1.120 -0.895
	133	ATOM 130 CA PRO 9 27.024 1.732 0.456
	134	ATOM 131 C PRO 9 27.918 0.926 1.409
	135	ATOM 132 O PRO 9 28.136 -0.308 1.289
	136	ATOM 133 CB PRO 9 25.565 1.704 0.830
	137	ATOM 134 CG PRO 9 24.820 0.922 -0.252
	138	ATOM 135 CD PRO 9 25.831 0.488 -1.289
	139	ATOM 136 HA PRO 9 27.388 2.759 0.500
	140	ATOM 137 1HB PRO 9 25.445 1.201 1.789
	141	ATOM 138 2HB PRO 9 25.171 2.717 0.910
	142	ATOM 139 1HG PRO 9 24.354 0.042 0.191
	143	ATOM 140 2HG PRO 9 24.047 1.541 -0.707
	144	ATOM 141 1HD PRO 9 25.529 0.859 -2.268
	145	ATOM 142 2HD PRO 9 25.917 -0.597 -1.346
	146	ATOM 143 N TYR 10 28.489 1.597 2.363
	147	ATOM 144 CA TYR 10 29.355 0.981 3.369
	148	ATOM 145 C TYR 10 28.862 1.292 4.801
	149	ATOM 146 O TYR 10 29.004 2.426 5.260
	150	ATOM 147 CB TYR 10 30.776 1.548 3.188
	151	ATOM 148 CG TYR 10 31.812 0.865 4.029
	152	ATOM 149 CD1 TYR 10 32.181 -0.458 3.705
	153	ATOM 150 CD2 TYR 10 32.424 1.521 5.086
	154	ATOM 151 CE1 TYR 10 33.149 -1.084 4.464
	155	ATOM 152 CE2 TYR 10 33.412 0.896 5.832
	156	ATOM 153 CZ TYR 10 33.728 -0.425 5.565
	157	ATOM 154 OH TYR 10 34.706 -1.029 6.302
	158	ATOM 155 H TYR 10 28.327 2.593 2.413
	159	ATOM 156 HA TYR 10 29.342 -0.101 3.237
	160	ATOM 157 1HB TYR 10 31.061 1.485 2.138
	161	ATOM 158 2HB TYR 10 30.740 2.585 3.523
	162	ATOM 159 HD1 TYR 10 31.714 -0.972 2.878
	163	ATOM 160 HD2 TYR 10 32.128 2.530 5.331
	164	ATOM 161 HE1 TYR 10 33.464 -2.086 4.212
	165	ATOM 162 HE2 TYR 10 33.929 1.434 6.613
	166	ATOM 163 HH TYR 10 34.927 -1.907 5.984
	167	ATOM 164 N THR 11 28.424 0.231 5.434
	168	ATOM 165 CA THR 11 27.936 0.236 6.812
	169	ATOM 166 C THR 11 29.135 0.441 7.754
	170	ATOM 167 O THR 11 29.083 1.299 8.664
	171	ATOM 168 CB THR 11 27.128 -1.066 7.132
	172	ATOM 169 OG1 THR 11 25.915 -0.877 6.315
	173	ATOM 170 CG2 THR 11 26.632 -1.251 8.598
	174	ATOM 171 H THR 11 28.424 -0.648 4.937
	175	ATOM 172 HA THR 11 27.236 1.059 6.960
	176	ATOM 173 HB THR 11 27.768 -1.928 6.945
	177	ATOM 174 HG1 THR 11 25.330 -1.629 6.432
	178	ATOM 175 1HG2 THR 11 27.489 -1.396 9.256
	179	ATOM 176 2HG2 THR 11 26.081 -0.364 8.910
	180	ATOM 177 3HG2 THR 11 25.979 -2.122 8.654
	181	ATOM 178 N GLY 12 30.177 -0.374 7.495
	182	ATOM 179 CA GLY 12 31.386 -0.224 8.306
	183	ATOM 180 C GLY 12 31.203 -1.147 9.527
	184	ATOM 181 O GLY 12 30.172 -1.792 9.683
	185	ATOM 182 H GLY 12 30.125 -1.068 6.763
	186	ATOM 183 1HA GLY 12 32.252 -0.550 7.731
	187	ATOM 184 2HA GLY 12 31.541 0.812 8.606
	188	ATOM 185 N PRO 13 32.259 -1.145 10.334
	189	ATOM 186 CA PRO 13 32.384 -1.978 11.478
	190	ATOM 187 C PRO 13 31.761 -1.570 12.787
	191	ATOM 188 O PRO 13 31.739 -2.455 13.698
	192	ATOM 189 CB PRO 13 33.930 -2.112 11.625
	193	ATOM 190 CG PRO 13 34.418 -0.761 11.150
	194	ATOM 191 CD PRO 13 33.504 -0.375 10.028
	195	ATOM 192 HA PRO 13 31.808 -2.884 11.292
	196	ATOM 193 1HB PRO 13 34.185 -2.241 12.677
	197	ATOM 194 2HB PRO 13 34.356 -2.954 11.080
	198	ATOM 195 1HG PRO 13 34.326 -0.036 11.959
	199	ATOM 196 2HG PRO 13 35.461 -0.791 10.835
	200	ATOM 197 1HD PRO 13 33.922 -0.721 9.083
	201	ATOM 198 2HD PRO 13 33.345 0.700 9.942
	202	ATOM 199 N CYS 14 31.284 -0.361 12.916
	203	ATOM 200 CA CYS 14 30.645 0.049 14.197
	204	ATOM 201 C CYS 14 29.209 -0.417 14.208
	205	ATOM 202 O CYS 14 28.598 -0.805 13.198
	206	ATOM 203 CB CYS 14 30.904 1.510 14.446
	207	ATOM 204 SG CYS 14 32.618 1.798 14.807
	208	ATOM 205 H CYS 14 31.348 0.294 12.150
	209	ATOM 206 HA CYS 14 31.087 -0.440 15.065
	210	ATOM 207 1HB CYS 14 30.294 1.850 15.283
	211	ATOM 208 2HB CYS 14 30.642 2.066 13.545
	212	ATOM 209 N LYS 15 28.649 -0.419 15.375
	213	ATOM 210 CA LYS 15 27.336 -0.923 15.756
	214	ATOM 211 C LYS 15 26.228 0.042 16.097
	215	ATOM 212 O LYS 15 25.303 -0.309 16.854
	216	ATOM 213 CB LYS 15 27.580 -1.878 16.945
	217	ATOM 214 CG LYS 15 27.956 -3.321 16.572
	218	ATOM 215 CD LYS 15 29.204 -3.436 15.742
	219	ATOM 216 CE LYS 15 29.694 -4.836 15.472
	220	ATOM 217 NZ LYS 15 30.440 -5.364 16.680
	221	ATOM 218 H LYS 15 29.196 -0.017 16.123
	222	ATOM 219 HA LYS 15 26.935 -1.376 14.849
	223	ATOM 220 1HB LYS 15 28.348 -1.459 17.596
	224	ATOM 221 2HB LYS 15 26.618 -1.956 17.451
	225	ATOM 222 1HG LYS 15 28.068 -3.914 17.480
	226	ATOM 223 2HG LYS 15 27.142 -3.698 15.953
	227	ATOM 224 1HD LYS 15 29.061 -2.912 14.797
	228	ATOM 225 2HD LYS 15 29.986 -2.979 16.349
	229	ATOM 226 1HE LYS 15 28.844 -5.484 15.258
	230	ATOM 227 2HE LYS 15 30.367 -4.820 14.615
	231	ATOM 228 1HZ LYS 15 30.765 -6.302 16.492
	232	ATOM 229 2HZ LYS 15 31.231 -4.767 16.875
	233	ATOM 230 3HZ LYS 15 29.822 -5.376 17.479
	234	ATOM 231 N ALA 16 26.223 1.260 15.569
	235	ATOM 232 CA ALA 16 25.109 2.169 15.768
	236	ATOM 233 C ALA 16 24.174 1.935 14.571
	237	ATOM 234 O ALA 16 24.497 1.277 13.592
	238	ATOM 235 CB ALA 16 25.536 3.634 15.859
	239	ATOM 236 H ALA 16 27.013 1.561 15.016
	240	ATOM 237 HA ALA 16 24.621 1.969 16.722
	241	ATOM 238 1HB ALA 16 24.656 4.260 16.008
	242	ATOM 239 2HB ALA 16 26.219 3.762 16.699
	243	ATOM 240 3HB ALA 16 26.037 3.924 14.936
	244	ATOM 241 N ARG 17 22.998 2.500 14.683
	245	ATOM 242 CA ARG 17 21.990 2.475 13.592
	246	ATOM 243 C ARG 17 21.767 3.981 13.235
	247	ATOM 244 O ARG 17 21.022 4.658 13.964
	248	ATOM 245 CB ARG 17 20.614 1.926 13.959
	249	ATOM 246 CG ARG 17 20.105 0.880 12.983
	250	ATOM 247 CD ARG 17 19.624 -0.289 13.808
	251	ATOM 248 NE ARG 17 18.355 0.098 14.439
	252	ATOM 249 CZ ARG 17 17.708 -0.673 15.324
	253	ATOM 250 NH1 ARG 17 18.221 -1.843 15.720
	254	ATOM 251 NH2 ARG 17 16.495 -0.327 15.731
	255	ATOM 252 H ARG 17 22.767 2.972 15.546
	256	ATOM 253 HA ARG 17 22.374 1.823 12.807
	257	ATOM 254 1HB ARG 17 20.648 1.501 14.962
	258	ATOM 255 2HB ARG 17 19.918 2.764 13.916
	259	ATOM 256 1HG ARG 17 19.271 1.290 12.413
	260	ATOM 257 2HG ARG 17 20.887 0.576 12.287
	261	ATOM 258 1HD ARG 17 19.459 -1.149 13.159
	262	ATOM 259 2HD ARG 17 20.363 -0.553 14.565
	263	ATOM 260 HE ARG 17 17.989 1.022 14.259
	264	ATOM 261 1HH1 ARG 17 19.108 -2.153 15.349
	265	ATOM 262 2HH1 ARG 17 17.719 -2.411 16.388
	266	ATOM 263 1HH2 ARG 17 16.066 0.514 15.372
	267	ATOM 264 2HH2 ARG 17 16.005 -0.906 16.398
	268	ATOM 265 N ILE 18 22.497 4.428 12.250
	269	ATOM 266 CA ILE 18 22.423 5.788 11.715
	270	ATOM 267 C ILE 18 21.950 5.730 10.266
	271	ATOM 268 O ILE 18 22.480 5.004 9.421
	272	ATOM 269 CB ILE 18 23.762 6.554 11.785
	273	ATOM 270 CG1 ILE 18 24.274 6.512 13.260
	274	ATOM 271 CG2 ILE 18 23.602 8.014 11.254
	275	ATOM 272 CD1 ILE 18 25.764 6.903 13.344
	276	ATOM 273 H ILE 18 23.158 3.792 11.828
	277	ATOM 274 HA ILE 18 21.718 6.335 12.341
	278	ATOM 275 HB ILE 18 24.502 6.079 11.141
	279	ATOM 276 1HG1 ILE 18 23.684 7.197 13.869
	280	ATOM 277 2HG1 ILE 18 24.166 5.493 13.631
	281	ATOM 278 1HG2 ILE 18 23.244 7.989 10.225
	282	ATOM 279 2HG2 ILE 18 22.885 8.550 11.875
	283	ATOM 280 3HG2 ILE 18 24.566 8.522 11.291
	284	ATOM 281 1HD1 ILE 18 26.092 6.865 14.383
	285	ATOM 282 2HD1 ILE 18 26.356 6.207 12.750
	286	ATOM 283 3HD1 ILE 18 25.897 7.914 12.958
	287	ATOM 284 N ILE 19 20.867 6.472 10.022
	288	ATOM 285 CA ILE 19 20.335 6.459 8.640
	289	ATOM 286 C ILE 19 20.970 7.606 7.855
	290	ATOM 287 O ILE 19 20.910 8.763 8.262
	291	ATOM 288 CB ILE 19 18.788 6.485 8.581
	292	ATOM 289 CG1 ILE 19 18.252 5.154 9.150
	293	ATOM 290 CG2 ILE 19 18.282 6.719 7.120
	294	ATOM 291 CD1 ILE 19 18.299 5.180 10.698
	295	ATOM 292 H ILE 19 20.429 7.019 10.749
	296	ATOM 293 HA ILE 19 20.609 5.512 8.175
	297	ATOM 294 HB ILE 19 18.415 7.315 9.181
	298	ATOM 295 1HG1 ILE 19 17.224 5.006 8.820
	299	ATOM 296 2HG1 ILE 19 18.875 4.336 8.789
	300	ATOM 297 1HG2 ILE 19 18.676 7.664 6.746
	301	ATOM 298 2HG2 ILE 19 18.625 5.905 6.482
	302	ATOM 299 3HG2 ILE 19 17.193 6.751 7.114
	303	ATOM 300 1HD1 ILE 19 17.919 4.236 11.089
	304	ATOM 301 2HD1 ILE 19 19.328 5.322 11.028
	305	ATOM 302 3HD1 ILE 19 17.683 6.000 11.066
	306	ATOM 303 N ARG 20 21.588 7.204 6.751
	307	ATOM 304 CA ARG 20 22.236 8.068 5.785
	308	ATOM 305 C ARG 20 21.695 7.783 4.382
	309	ATOM 306 O ARG 20 20.944 6.791 4.218
	310	ATOM 307 CB ARG 20 23.771 7.817 5.751
	311	ATOM 308 CG ARG 20 24.296 7.949 7.188
	312	ATOM 309 CD ARG 20 24.046 9.346 7.751
	313	ATOM 310 NE ARG 20 25.357 9.939 7.653
	314	ATOM 311 CZ ARG 20 26.326 10.113 8.491
	315	ATOM 312 NH1 ARG 20 26.238 10.069 9.811
	316	ATOM 313 NH2 ARG 20 27.584 10.026 7.945
	317	ATOM 314 H ARG 20 21.608 6.211 6.569
	318	ATOM 315 HA ARG 20 22.033 9.097 6.081
	319	ATOM 316 1HB ARG 20 23.966 6.809 5.384
	320	ATOM 317 2HB ARG 20 24.264 8.534 5.094
	321	ATOM 318 1HG ARG 20 23.808 7.209 7.822
	322	ATOM 319 2HG ARG 20 25.373 7.779 7.171
	323	ATOM 320 1HD ARG 20 23.355 9.882 7.100
	324	ATOM 321 2HD ARG 20 23.620 9.358 8.754
	325	ATOM 322 HE ARG 20 26.110 9.383 7.274
	326	ATOM 323 1HH1 ARG 20 25.347 9.885 10.249
	327	ATOM 324 2HH1 ARG 20 27.063 10.220 10.374
	328	ATOM 325 1HH2 ARG 20 27.691 9.839 6.958
	329	ATOM 326 2HH2 ARG 20 28.396 10.150 8.533
	330	ATOM 327 N TYR 21 22.153 8.566 3.449
	331	ATOM 328 CA TYR 21 21.802 8.399 2.032
	332	ATOM 329 C TYR 21 23.053 8.021 1.197
	333	ATOM 330 O TYR 21 24.153 8.520 1.489
	334	ATOM 331 CB TYR 21 21.233 9.689 1.363
	335	ATOM 332 CG TYR 21 19.856 9.977 1.902
	336	ATOM 333 CD1 TYR 21 18.714 9.405 1.346
	337	ATOM 334 CD2 TYR 21 19.722 10.802 3.013
	338	ATOM 335 CE1 TYR 21 17.462 9.666 1.913
	339	ATOM 336 CE2 TYR 21 18.482 11.081 3.558
	340	ATOM 337 CZ TYR 21 17.360 10.496 2.999
	341	ATOM 338 OH TYR 21 16.131 10.758 3.524
	342	ATOM 339 H TYR 21 22.774 9.318 3.709
	343	ATOM 340 HA TYR 21 21.040 7.620 2.035
	344	ATOM 341 1HB TYR 21 21.891 10.531 1.579
	345	ATOM 342 2HB TYR 21 21.174 9.539 0.285
	346	ATOM 343 HD1 TYR 21 18.795 8.763 0.481
	347	ATOM 344 HD2 TYR 21 20.605 11.234 3.460
	348	ATOM 345 HE1 TYR 21 16.575 9.213 1.495
	349	ATOM 346 HE2 TYR 21 18.391 11.744 4.406
	350	ATOM 347 HH TYR 21 15.421 10.312 3.057
	351	ATOM 348 N PHE 22 22.829 7.168 0.207
	352	ATOM 349 CA PHE 22 23.752 6.692 -0.783
	353	ATOM 350 C PHE 22 23.022 6.846 -2.150
	354	ATOM 351 O PHE 22 21.797 6.782 -2.278
	355	ATOM 352 CB PHE 22 24.275 5.290 -0.661
	356	ATOM 353 CG PHE 22 23.364 4.150 -0.996
	357	ATOM 354 CD1 PHE 22 22.275 3.834 -0.223
	358	ATOM 355 CD2 PHE 22 23.583 3.377 -2.136
	359	ATOM 356 CE1 PHE 22 21.466 2.719 -0.446
	360	ATOM 357 CE2 PHE 22 22.782 2.296 -2.447
	361	ATOM 358 CZ PHE 22 21.709 1.949 -1.597
	362	ATOM 359 H PHE 22 21.888 6.807 0.141
	363	ATOM 360 HA PHE 22 24.656 7.288 -0.657
	364	ATOM 361 1HB PHE 22 25.199 5.196 -1.231
	365	ATOM 362 2HB PHE 22 24.416 5.178 0.414
	366	ATOM 363 HD1 PHE 22 22.030 4.484 0.604
	367	ATOM 364 HD2 PHE 22 24.401 3.631 -2.793
	368	ATOM 365 HE1 PHE 22 20.678 2.456 0.244
	369	ATOM 366 HE2 PHE 22 22.976 1.717 -3.338
	370	ATOM 367 HZ PHE 22 21.082 1.101 -1.829
	371	ATOM 368 N ALA 23 23.845 7.069 -3.162
	372	ATOM 369 CA ALA 23 23.410 7.217 -4.539
	373	ATOM 370 C ALA 23 23.463 5.773 -5.115
	374	ATOM 371 O ALA 23 24.506 5.134 -4.936
	375	ATOM 372 CB ALA 23 24.352 8.087 -5.360
	376	ATOM 373 H ALA 23 24.833 7.140 -2.965
	377	ATOM 374 HA ALA 23 22.429 7.690 -4.579
	378	ATOM 375 1HB ALA 23 23.979 8.164 -6.381
	379	ATOM 376 2HB ALA 23 24.406 9.082 -4.917
	380	ATOM 377 3HB ALA 23 25.345 7.639 -5.369
	381	ATOM 378 N ASN 24 22.400 5.354 -5.693
	382	ATOM 379 CA ASN 24 22.126 4.088 -6.326
	383	ATOM 380 C ASN 24 22.120 4.301 -7.848
	384	ATOM 381 O ASN 24 21.083 4.569 -8.463
	385	ATOM 382 CB ASN 24 20.788 3.517 -5.804
	386	ATOM 383 CG ASN 24 20.802 1.994 -5.932
	387	ATOM 384 OD1 ASN 24 21.039 1.448 -7.013
	388	ATOM 385 ND2 ASN 24 20.644 1.338 -4.770
	389	ATOM 386 H ASN 24 21.635 6.013 -5.708
	390	ATOM 387 HA ASN 24 22.896 3.355 -6.084
	391	ATOM 388 1HB ASN 24 20.659 3.792 -4.757
	392	ATOM 389 2HB ASN 24 19.964 3.924 -6.390
	393	ATOM 390 1HD2 ASN 24 20.529 1.858 -3.912
	394	ATOM 391 2HD2 ASN 24 20.641 0.328 -4.760
	395	ATOM 392 N ALA 25 23.301 4.247 -8.411
	396	ATOM 393 CA ALA 25 23.706 4.425 -9.774
	397	ATOM 394 C ALA 25 22.839 3.573 -10.736
	398	ATOM 395 O ALA 25 22.702 3.982 -11.887
	399	ATOM 396 CB ALA 25 25.187 4.093 -9.933
	400	ATOM 397 H ALA 25 24.058 4.045 -7.774
	401	ATOM 398 HA ALA 25 23.555 5.471 -10.040
	402	ATOM 399 1HB ALA 25 25.481 4.233 -10.973
	403	ATOM 400 2HB ALA 25 25.777 4.752 -9.297
	404	ATOM 401 3HB ALA 25 25.360 3.057 -9.642
	405	ATOM 402 N LYS 26 22.312 2.473 -10.242
	406	ATOM 403 CA LYS 26 21.466 1.487 -10.891
	407	ATOM 404 C LYS 26 20.014 1.952 -10.989
	408	ATOM 405 O LYS 26 19.442 1.857 -12.084
	409	ATOM 406 CB LYS 26 21.491 0.169 -10.130
	410	ATOM 407 CG LYS 26 21.106 -1.100 -10.859
	411	ATOM 408 CD LYS 26 22.013 -1.383 -12.055
	412	ATOM 409 CE LYS 26 22.610 -2.772 -11.994
	413	ATOM 410 NZ LYS 26 23.796 -2.860 -12.900
	414	ATOM 411 H LYS 26 22.527 2.288 -9.273
	415	ATOM 412 HA LYS 26 21.866 1.353 -11.896
	416	ATOM 413 1HB LYS 26 22.467 0.038 -9.663
	417	ATOM 414 2HB LYS 26 20.680 0.290 -9.412
	418	ATOM 415 1HG LYS 26 21.143 -1.942 -10.168
	419	ATOM 416 2HG LYS 26 20.094 -0.964 -11.241
	420	ATOM 417 1HD LYS 26 21.443 -1.273 -12.977
	421	ATOM 418 2HD LYS 26 22.833 -0.666 -12.029
	422	ATOM 419 1HE LYS 26 22.917 -2.991 -10.971
	423	ATOM 420 2HE LYS 26 21.861 -3.496 -12.315
	424	ATOM 421 1HZ LYS 26 24.188 -3.790 -12.853
	425	ATOM 422 2HZ LYS 26 23.510 -2.663 -13.849
	426	ATOM 423 3HZ LYS 26 24.491 -2.187 -12.611
	427	ATOM 424 N ALA 27 19.497 2.488 -9.874
	428	ATOM 425 CA ALA 27 18.103 2.961 -9.823
	429	ATOM 426 C ALA 27 17.967 4.434 -10.123
	430	ATOM 427 O ALA 27 16.824 4.929 -10.240
	431	ATOM 428 CB ALA 27 17.441 2.549 -8.518
	432	ATOM 429 H ALA 27 20.076 2.569 -9.051
	433	ATOM 430 HA ALA 27 17.561 2.466 -10.629
	434	ATOM 431 1HB ALA 27 16.412 2.909 -8.503
	435	ATOM 432 2HB ALA 27 17.447 1.462 -8.435
	436	ATOM 433 3HB ALA 27 17.989 2.980 -7.680
	437	ATOM 434 N GLY 28 19.057 5.153 -10.273
	438	ATOM 435 CA GLY 28 19.062 6.550 -10.586
	439	ATOM 436 C GLY 28 18.483 7.415 -9.466
	440	ATOM 437 O GLY 28 18.119 8.579 -9.690
	441	ATOM 438 H GLY 28 19.948 4.690 -10.160
	442	ATOM 439 1HA GLY 28 20.081 6.870 -10.802
	443	ATOM 440 2HA GLY 28 18.422 6.685 -11.458
	444	ATOM 441 N LEU 29 18.443 6.832 -8.287
	445	ATOM 442 CA LEU 29 17.947 7.407 -7.024
	446	ATOM 443 C LEU 29 18.945 7.497 -5.866
	447	ATOM 444 O LEU 29 19.896 6.727 -5.858
	448	ATOM 445 CB LEU 29 17.024 6.228 -6.528
	449	ATOM 446 CG LEU 29 15.567 6.158 -6.693
	450	ATOM 447 CD1 LEU 29 15.044 6.893 -7.909
	451	ATOM 448 CD2 LEU 29 15.225 4.662 -6.813
	452	ATOM 449 H LEU 29 18.791 5.885 -8.243
	453	ATOM 450 HA LEU 29 17.572 8.411 -7.223
	454	ATOM 451 1HB LEU 29 17.468 5.274 -6.813
	455	ATOM 452 2HB LEU 29 17.024 6.497 -5.472
	456	ATOM 453 HG LEU 29 15.095 6.645 -5.840
	457	ATOM 454 1HD1 LEU 29 15.286 7.953 -7.825
	458	ATOM 455 2HD1 LEU 29 15.507 6.485 -8.807
	459	ATOM 456 3HD1 LEU 29 13.963 6.771 -7.970
	460	ATOM 457 1HD2 LEU 29 15.601 4.132 -5.938
	461	ATOM 458 2HD2 LEU 29 14.144 4.540 -6.874
	462	ATOM 459 3HD2 LEU 29 15.688 4.254 -7.712
	463	ATOM 460 N CYS 30 18.644 8.243 -4.834
	464	ATOM 461 CA CYS 30 19.386 8.332 -3.584
	465	ATOM 462 C CYS 30 18.461 7.549 -2.587
	466	ATOM 463 O CYS 30 17.266 7.847 -2.545
	467	ATOM 464 CB CYS 30 19.618 9.746 -3.030
	468	ATOM 465 SG CYS 30 20.895 10.605 -3.992
	469	ATOM 466 H CYS 30 17.815 8.814 -4.912
	470	ATOM 467 HA CYS 30 20.396 7.948 -3.731
	471	ATOM 468 1HB CYS 30 19.930 9.681 -1.988
	472	ATOM 469 2HB CYS 30 18.687 10.308 -3.103
	473	ATOM 470 N GLN 31 19.006 6.552 -1.970
	474	ATOM 471 CA GLN 31 18.317 5.700 -1.038
	475	ATOM 472 C GLN 31 19.100 5.705 0.281
	476	ATOM 473 O GLN 31 20.258 6.027 0.325
	477	ATOM 474 CB GLN 31 18.127 4.265 -1.486
	478	ATOM 475 CG GLN 31 17.649 4.129 -2.917
	479	ATOM 476 CD GLN 31 17.592 2.652 -3.291
	480	ATOM 477 OE1 GLN 31 18.591 1.933 -3.214
	481	ATOM 478 NE2 GLN 31 16.345 2.282 -3.638
	482	ATOM 479 H GLN 31 19.980 6.359 -2.155
	483	ATOM 480 HA GLN 31 17.311 6.109 -0.941
	484	ATOM 481 1HB GLN 31 19.062 3.719 -1.362
	485	ATOM 482 2HB GLN 31 17.342 3.846 -0.857
	486	ATOM 483 1HG GLN 31 16.655 4.566 -3.011
	487	ATOM 484 2HG GLN 31 18.338 4.648 -3.583
	488	ATOM 485 1HE2 GLN 31 15.598 2.961 -3.625
	489	ATOM 486 2HE2 GLN 31 16.162 1.327 -3.910
	490	ATOM 487 N THR 32 18.377 5.323 1.264
	491	ATOM 488 CA THR 32 18.655 5.165 2.680
	492	ATOM 489 C THR 32 19.331 3.843 2.925
	493	ATOM 490 O THR 32 19.028 2.743 2.403
	494	ATOM 491 CB THR 32 17.212 5.330 3.366
	495	ATOM 492 OG1 THR 32 17.146 6.586 4.121
	496	ATOM 493 CG2 THR 32 16.592 4.169 4.025
	497	ATOM 494 H THR 32 17.430 5.085 1.005
	498	ATOM 495 HA THR 32 19.352 5.891 3.099
	499	ATOM 496 HB THR 32 16.528 5.386 2.519
	500	ATOM 497 HG1 THR 32 16.279 6.671 4.525
	501	ATOM 498 1HG2 THR 32 16.694 3.292 3.386
	502	ATOM 499 2HG2 THR 32 17.088 3.984 4.978
	503	ATOM 500 3HG2 THR 32 15.535 4.371 4.199
	504	ATOM 501 N PHE 33 20.325 3.905 3.792
	505	ATOM 502 CA PHE 33 21.049 2.679 4.214
	506	ATOM 503 C PHE 33 21.391 2.964 5.697
	507	ATOM 504 O PHE 33 21.307 4.127 6.134
	508	ATOM 505 CB PHE 33 22.237 2.311 3.301
	509	ATOM 506 CG PHE 33 23.481 3.115 3.586
	510	ATOM 507 CD1 PHE 33 23.551 4.451 3.178
	511	ATOM 508 CD2 PHE 33 24.548 2.490 4.242
	512	ATOM 509 CE1 PHE 33 24.689 5.209 3.481
	513	ATOM 510 CE2 PHE 33 25.680 3.270 4.545
	514	ATOM 511 CZ PHE 33 25.736 4.604 4.188
	515	ATOM 512 H PHE 33 20.597 4.800 4.174
	516	ATOM 513 HA PHE 33 20.456 1.770 4.118
	517	ATOM 514 1HB PHE 33 22.459 1.249 3.404
	518	ATOM 515 2HB PHE 33 21.936 2.547 2.281
	519	ATOM 516 HD1 PHE 33 22.732 4.896 2.632
	520	ATOM 517 HD2 PHE 33 24.504 1.444 4.507
	521	ATOM 518 HE1 PHE 33 24.758 6.242 3.175
	522	ATOM 519 HE2 PHE 33 26.515 2.821 5.063
	523	ATOM 520 HZ PHE 33 26.602 5.190 4.459
	524	ATOM 521 N VAL 34 21.791 1.844 6.303
	525	ATOM 522 CA VAL 34 22.179 1.847 7.727
	526	ATOM 523 C VAL 34 23.698 2.016 7.870
	527	ATOM 524 O VAL 34 24.383 1.128 7.464
	528	ATOM 525 CB VAL 34 21.710 0.602 8.491
	529	ATOM 526 CG1 VAL 34 22.162 0.650 9.973
	530	ATOM 527 CG2 VAL 34 20.174 0.525 8.409
	531	ATOM 528 H VAL 34 21.829 0.981 5.779
	532	ATOM 529 HA VAL 34 21.670 2.698 8.179
	533	ATOM 530 HB VAL 34 22.157 -0.283 8.039
	534	ATOM 531 1HG1 VAL 34 23.250 0.704 10.020
	535	ATOM 532 2HG1 VAL 34 21.733 1.528 10.455
	536	ATOM 533 3HG1 VAL 34 21.821 -0.249 10.486
	537	ATOM 534 1HG2 VAL 34 19.867 0.492 7.364
	538	ATOM 535 2HG2 VAL 34 19.828 -0.374 8.918
	539	ATOM 536 3HG2 VAL 34 19.740 1.403 8.887
	540	ATOM 537 N TYR 35 24.091 3.158 8.410
	541	ATOM 538 CA TYR 35 25.512 3.474 8.630
	542	ATOM 539 C TYR 35 25.853 3.141 10.089
	543	ATOM 540 O TYR 35 25.096 3.564 11.002
	544	ATOM 541 CB TYR 35 25.736 4.938 8.236
	545	ATOM 542 CG TYR 35 27.123 5.423 8.667
	546	ATOM 543 CD1 TYR 35 28.268 4.755 8.295
	547	ATOM 544 CD2 TYR 35 27.254 6.531 9.488
	548	ATOM 545 CE1 TYR 35 29.512 5.168 8.668
	549	ATOM 546 CE2 TYR 35 28.510 6.966 9.884
	550	ATOM 547 CZ TYR 35 29.623 6.289 9.481
	551	ATOM 548 OH TYR 35 30.830 6.742 9.901
	552	ATOM 549 H TYR 35 23.393 3.836 8.680
	553	ATOM 550 HA TYR 35 26.188 2.881 8.014
	554	ATOM 551 1HB TYR 35 25.634 5.043 7.156
	555	ATOM 552 2HB TYR 35 24.988 5.547 8.744
	556	ATOM 553 HD1 TYR 35 28.177 3.869 7.684
	557	ATOM 554 HD2 TYR 35 26.373 7.059 9.822
	558	ATOM 555 HE1 TYR 35 30.392 4.636 8.339
	559	ATOM 556 HE2 TYR 35 28.606 7.840 10.511
	560	ATOM 557 HH TYR 35 31.563 6.212 9.578
	561	ATOM 558 N GLY 36 26.877 2.383 10.299
	562	ATOM 559 CA GLY 36 27.457 1.871 11.546
	563	ATOM 560 C GLY 36 28.028 2.897 12.527
	564	ATOM 561 O GLY 36 28.257 2.623 13.728
	565	ATOM 562 H GLY 36 27.362 2.093 9.462
	566	ATOM 563 1HA GLY 36 26.724 1.247 12.058
	567	ATOM 564 2HA GLY 36 28.331 1.308 11.217
	568	ATOM 565 N GLY 37 28.306 4.113 12.087
	569	ATOM 566 CA GLY 37 28.806 5.132 13.062
	570	ATOM 567 C GLY 37 30.264 5.436 12.901
	571	ATOM 568 O GLY 37 30.788 6.346 13.587
	572	ATOM 569 H GLY 37 28.183 4.349 11.113
	573	ATOM 570 1HA GLY 37 28.229 6.051 12.955
	574	ATOM 571 2HA GLY 37 28.678 4.708 14.058
	575	ATOM 572 N CYS 38 30.958 4.608 12.100
	576	ATOM 573 CA CYS 38 32.402 4.846 11.895
	577	ATOM 574 C CYS 38 32.879 4.309 10.558
	578	ATOM 575 O CYS 38 32.377 3.284 10.069
	579	ATOM 576 CB CYS 38 33.254 4.254 13.025
	580	ATOM 577 SG CYS 38 33.463 2.472 13.064
	581	ATOM 578 H CYS 38 30.498 3.833 11.644
	582	ATOM 579 HA CYS 38 32.531 5.928 11.902
	583	ATOM 580 1HB CYS 38 32.871 4.596 13.986
	584	ATOM 581 2HB CYS 38 34.256 4.626 12.813
	585	ATOM 582 N ARG 39 33.888 5.024 10.044
	586	ATOM 583 CA ARG 39 34.612 4.645 8.827
	587	ATOM 584 C ARG 39 33.852 4.820 7.536
	588	ATOM 585 O ARG 39 33.993 4.050 6.590
	589	ATOM 586 CB ARG 39 35.284 3.233 8.942
	590	ATOM 587 CG ARG 39 36.652 3.311 9.588
	591	ATOM 588 CD ARG 39 37.108 2.346 10.584
	592	ATOM 589 NE ARG 39 37.383 1.012 10.071
	593	ATOM 590 CZ ARG 39 38.017 0.015 10.712
	594	ATOM 591 NH1 ARG 39 38.490 0.185 11.953
	595	ATOM 592 NH2 ARG 39 38.178 -1.162 10.082
	596	ATOM 593 H ARG 39 34.165 5.870 10.521
	597	ATOM 594 HA ARG 39 35.411 5.383 8.760
	598	ATOM 595 1HB ARG 39 34.643 2.572 9.526
	599	ATOM 596 2HB ARG 39 35.412 2.841 7.933
	600	ATOM 597 1HG ARG 39 37.413 3.423 8.815
	601	ATOM 598 2HG ARG 39 36.500 4.178 10.231
	602	ATOM 599 1HD ARG 39 37.995 2.733 11.085
	603	ATOM 600 2HD ARG 39 36.275 2.226 11.277
	604	ATOM 601 HE ARG 39 37.246 0.837 9.086
	605	ATOM 602 1HH1 ARG 39 38.371 1.074 12.418
	606	ATOM 603 2HH1 ARG 39 38.964 -0.576 12.418
	607	ATOM 604 1HH2 ARG 39 37.824 -1.282 9.144
	608	ATOM 605 2HH2 ARG 39 38.652 -1.921 10.550
	609	ATOM 606 N ALA 40 33.087 5.902 7.525
	610	ATOM 607 CA ALA 40 32.280 6.346 6.408
	611	ATOM 608 C ALA 40 33.174 6.463 5.167
	612	ATOM 609 O ALA 40 34.349 6.857 5.267
	613	ATOM 610 CB ALA 40 31.763 7.754 6.764
	614	ATOM 611 H ALA 40 33.065 6.463 8.365
	615	ATOM 612 HA ALA 40 31.462 5.652 6.212
	616	ATOM 613 1HB ALA 40 31.147 8.132 5.948
	617	ATOM 614 2HB ALA 40 31.167 7.703 7.675
	618	ATOM 615 3HB ALA 40 32.609 8.423 6.920
	619	ATOM 616 N LYS 41 32.572 6.106 4.046
	620	ATOM 617 CA LYS 41 33.210 6.218 2.716
	621	ATOM 618 C LYS 41 32.548 7.399 2.044
	622	ATOM 619 O LYS 41 31.646 8.090 2.693
	623	ATOM 620 CB LYS 41 33.223 4.867 2.018
	624	ATOM 621 CG LYS 41 34.398 4.021 2.455
	625	ATOM 622 CD LYS 41 34.882 2.814 1.760
	626	ATOM 623 CE LYS 41 35.299 2.810 0.338
	627	ATOM 624 NZ LYS 41 36.465 3.643 -0.102
	628	ATOM 625 H LYS 41 31.632 5.740 4.100
	629	ATOM 626 HA LYS 41 34.276 6.444 2.722
	630	ATOM 627 1HB LYS 41 32.295 4.338 2.233
	631	ATOM 628 2HB LYS 41 33.318 5.044 0.947
	632	ATOM 629 1HG LYS 41 35.243 4.667 2.692
	633	ATOM 630 2HG LYS 41 33.901 3.513 3.281
	634	ATOM 631 1HD LYS 41 35.648 2.329 2.365
	635	ATOM 632 2HD LYS 41 33.937 2.279 1.664
	636	ATOM 633 1HE LYS 41 35.440 1.782 0.004
	637	ATOM 634 2HE LYS 41 34.465 3.323 -0.141
	638	ATOM 635 1HZ LYS 41 36.610 3.522 -1.094
	639	ATOM 636 2HZ LYS 41 36.277 4.616 0.095
	640	ATOM 637 3HZ LYS 41 37.294 3.352 0.397
	641	ATOM 638 N ARG 42 32.884 7.785 0.815
	642	ATOM 639 CA ARG 42 32.283 8.966 0.211
	643	ATOM 640 C ARG 42 30.805 8.864 -0.204
	644	ATOM 641 O ARG 42 30.082 9.903 -0.070
	645	ATOM 642 CB ARG 42 33.012 9.583 -0.935
	646	ATOM 643 CG ARG 42 34.425 10.106 -0.842
	647	ATOM 644 CD ARG 42 35.312 9.161 -1.625
	648	ATOM 645 NE ARG 42 36.086 9.790 -2.633
	649	ATOM 646 CZ ARG 42 36.767 9.117 -3.589
	650	ATOM 647 NH1 ARG 42 36.779 7.793 -3.734
	651	ATOM 648 NH2 ARG 42 37.511 9.871 -4.403
	652	ATOM 649 H ARG 42 33.565 7.251 0.294
	653	ATOM 650 HA ARG 42 32.366 9.615 1.083
	654	ATOM 651 1HB ARG 42 32.919 8.943 -1.812
	655	ATOM 652 2HB ARG 42 32.485 10.537 -0.972
	656	ATOM 653 1HG ARG 42 34.474 11.101 -1.285
	657	ATOM 654 2HG ARG 42 34.747 10.167 0.197
	658	ATOM 655 1HD ARG 42 35.972 8.630 -0.939
	659	ATOM 656 2HD ARG 42 34.642 8.473 -2.141
	660	ATOM 657 HE ARG 42 35.997 10.788 -2.756
	661	ATOM 658 1HH1 ARG 42 36.249 7.214 -3.098
	662	ATOM 659 2HH1 ARG 42 37.318 7.374 -4.479
	663	ATOM 660 1HH2 ARG 42 37.534 10.873 -4.277
	664	ATOM 661 2HH2 ARG 42 38.047 9.436 -5.140
	665	ATOM 662 N ASN 43 30.347 7.774 -0.685
	666	ATOM 663 CA ASN 43 28.913 7.618 -1.084
	667	ATOM 664 C ASN 43 28.074 7.439 0.214
	668	ATOM 665 O ASN 43 27.554 6.351 0.508
	669	ATOM 666 CB ASN 43 28.824 6.464 -2.040
	670	ATOM 667 CG ASN 43 27.504 6.530 -2.797
	671	ATOM 668 OD1 ASN 43 26.760 7.532 -2.643
	672	ATOM 669 ND2 ASN 43 27.301 5.537 -3.633
	673	ATOM 670 H ASN 43 30.974 6.990 -0.800
	674	ATOM 671 HA ASN 43 28.511 8.489 -1.602
	675	ATOM 672 1HB ASN 43 29.652 6.514 -2.748
	676	ATOM 673 2HB ASN 43 28.877 5.528 -1.484
	677	ATOM 674 1HD2 ASN 43 27.997 4.812 -3.729
	678	ATOM 675 2HD2 ASN 43 26.450 5.504 -4.176
	679	ATOM 676 N ASN 44 27.999 8.522 0.982
	680	ATOM 677 CA ASN 44 27.314 8.619 2.297
	681	ATOM 678 C ASN 44 26.927 10.073 2.517
	682	ATOM 679 O ASN 44 27.772 10.923 2.793
	683	ATOM 680 CB ASN 44 28.276 8.091 3.338
	684	ATOM 681 CG ASN 44 27.789 8.066 4.782
	685	ATOM 682 OD1 ASN 44 28.115 7.107 5.498
	686	ATOM 683 ND2 ASN 44 27.094 9.111 5.123
	687	ATOM 684 H ASN 44 28.450 9.358 0.639
	688	ATOM 685 HA ASN 44 26.398 8.030 2.354
	689	ATOM 686 1HB ASN 44 28.612 7.095 3.050
	690	ATOM 687 2HB ASN 44 29.087 8.819 3.344
	691	ATOM 688 1HD2 ASN 44 26.924 9.843 4.448
	692	ATOM 689 2HD2 ASN 44 26.727 9.186 6.061
	693	ATOM 690 N PHE 45 25.640 10.394 2.440
	694	ATOM 691 CA PHE 45 25.077 11.713 2.604
	695	ATOM 692 C PHE 45 24.138 11.761 3.822
	696	ATOM 693 O PHE 45 23.569 10.743 4.220
	697	ATOM 694 CB PHE 45 24.338 12.182 1.306
	698	ATOM 695 CG PHE 45 25.243 12.109 0.104
	699	ATOM 696 CD1 PHE 45 26.165 13.134 -0.110
	700	ATOM 697 CD2 PHE 45 25.243 10.988 -0.731
	701	ATOM 698 CE1 PHE 45 27.037 13.057 -1.206
	702	ATOM 699 CE2 PHE 45 26.116 10.886 -1.828
	703	ATOM 700 CZ PHE 45 27.017 11.915 -2.031
	704	ATOM 701 H PHE 45 24.993 9.642 2.248
	705	ATOM 702 HA PHE 45 25.899 12.406 2.784
	706	ATOM 703 1HB PHE 45 23.462 11.555 1.140
	707	ATOM 704 2HB PHE 45 24.035 13.220 1.442
	708	ATOM 705 HD1 PHE 45 26.207 13.979 0.562
	709	ATOM 706 HD2 PHE 45 24.555 10.180 -0.528
	710	ATOM 707 HE1 PHE 45 27.719 13.868 -1.416
	711	ATOM 708 HE2 PHE 45 26.084 10.033 -2.490
	712	ATOM 709 HZ PHE 45 27.724 11.841 -2.844
	713	ATOM 710 N LYS 46 24.017 12.955 4.372
	714	ATOM 711 CA LYS 46 23.137 13.170 5.515
	715	ATOM 712 C LYS 46 21.747 13.494 5.037
	716	ATOM 713 O LYS 46 20.775 13.277 5.777
	717	ATOM 714 CB LYS 46 23.719 14.097 6.569
	718	ATOM 715 CG LYS 46 24.807 13.401 7.450
	719	ATOM 716 CD LYS 46 25.667 14.430 8.162
	720	ATOM 717 CE LYS 46 26.849 13.763 8.823
	721	ATOM 718 NZ LYS 46 27.771 13.182 7.778
	722	ATOM 719 H LYS 46 24.542 13.731 3.995
	723	ATOM 720 HA LYS 46 23.051 12.239 6.075
	724	ATOM 721 1HB LYS 46 24.150 14.973 6.084
	725	ATOM 722 2HB LYS 46 22.903 14.387 7.231
	726	ATOM 723 1HG LYS 46 24.323 12.760 8.187
	727	ATOM 724 2HG LYS 46 25.448 12.804 6.801
	728	ATOM 725 1HD LYS 46 26.022 15.168 7.442
	729	ATOM 726 2HD LYS 46 25.066 14.921 8.928
	730	ATOM 727 1HE LYS 46 27.392 14.495 9.420
	731	ATOM 728 2HE LYS 46 26.489 12.959 9.465
	732	ATOM 729 1HZ LYS 46 28.557 12.739 8.232
	733	ATOM 730 2HZ LYS 46 27.270 12.498 7.229
	734	ATOM 731 3HZ LYS 46 28.103 13.920 7.174
	735	ATOM 732 N SER 47 21.567 13.946 3.793
	736	ATOM 733 CA SER 47 20.237 14.215 3.241
	737	ATOM 734 C SER 47 20.291 13.788 1.753
	738	ATOM 735 O SER 47 21.389 13.808 1.198
	739	ATOM 736 CB SER 47 19.755 15.634 3.248
	740	ATOM 737 OG SER 47 20.635 16.520 2.615
	741	ATOM 738 H SER 47 22.377 14.108 3.212
	742	ATOM 739 HA SER 47 19.546 13.672 3.886
	743	ATOM 740 1HB SER 47 18.778 15.688 2.769
	744	ATOM 741 2HB SER 47 19.693 15.942 4.292
	745	ATOM 742 HG SER 47 20.275 17.409 2.651
	746	ATOM 743 N ALA 48 19.110 13.576 1.248
	747	ATOM 744 CA ALA 48 18.819 13.216 -0.137
	748	ATOM 745 C ALA 48 19.222 14.327 -1.097
	749	ATOM 746 O ALA 48 19.693 14.049 -2.219
	750	ATOM 747 CB ALA 48 17.317 12.910 -0.257
	751	ATOM 748 H ALA 48 18.322 13.669 1.872
	752	ATOM 749 HA ALA 48 19.400 12.335 -0.409
	753	ATOM 750 1HB ALA 48 17.083 12.639 -1.286
	754	ATOM 751 2HB ALA 48 17.061 12.082 0.404
	755	ATOM 752 3HB ALA 48 16.743 13.792 0.026
	756	ATOM 753 N GLU 49 19.096 15.564 -0.717
	757	ATOM 754 CA GLU 49 19.425 16.790 -1.459
	758	ATOM 755 C GLU 49 20.919 16.933 -1.769
	759	ATOM 756 O GLU 49 21.385 17.262 -2.881
	760	ATOM 757 CB GLU 49 18.987 18.000 -0.638
	761	ATOM 758 CG GLU 49 19.603 19.360 -0.977
	762	ATOM 759 CD GLU 49 18.593 20.478 -0.869
	763	ATOM 760 OE1 GLU 49 17.501 20.301 -0.357
	764	ATOM 761 OE2 GLU 49 19.011 21.524 -1.382
	765	ATOM 762 H GLU 49 18.722 15.701 0.211
	766	ATOM 763 HA GLU 49 18.899 16.731 -2.412
	767	ATOM 764 1HB GLU 49 17.900 18.078 -0.658
	768	ATOM 765 2HB GLU 49 19.381 17.786 0.356
	769	ATOM 766 1HG GLU 49 20.438 19.558 -0.305
	770	ATOM 767 2HG GLU 49 19.949 19.322 -2.010
	771	ATOM 768 N ASP 50 21.678 16.685 -0.752
	772	ATOM 769 CA ASP 50 23.154 16.618 -0.749
	773	ATOM 770 C ASP 50 23.557 15.495 -1.741
	774	ATOM 771 O ASP 50 24.418 15.687 -2.574
	775	ATOM 772 CB ASP 50 23.469 16.208 0.652
	776	ATOM 773 CG ASP 50 24.677 16.768 1.310
	777	ATOM 774 OD1 ASP 50 25.784 16.205 1.218
	778	ATOM 775 OD2 ASP 50 24.437 17.805 1.976
	779	ATOM 776 H ASP 50 21.215 16.520 0.130
	780	ATOM 777 HA ASP 50 23.664 17.538 -1.035
	781	ATOM 778 1HB ASP 50 22.598 16.379 1.285
	782	ATOM 779 2HB ASP 50 23.725 15.154 0.540
	783	ATOM 780 N CYS 51 22.889 14.372 -1.606
	784	ATOM 781 CA CYS 51 23.118 13.191 -2.471
	785	ATOM 782 C CYS 51 22.817 13.463 -3.927
	786	ATOM 783 O CYS 51 23.624 13.202 -4.878
	787	ATOM 784 CB CYS 51 22.338 12.044 -1.832
	788	ATOM 785 SG CYS 51 22.556 10.517 -2.797
	789	ATOM 786 H CYS 51 22.189 14.311 -0.881
	790	ATOM 787 HA CYS 51 24.172 12.916 -2.518
	791	ATOM 788 1HB CYS 51 21.280 12.301 -1.793
	792	ATOM 789 2HB CYS 51 22.714 11.880 -0.822
	793	ATOM 790 N MET 52 21.658 14.043 -4.168
	794	ATOM 791 CA MET 52 21.202 14.431 -5.526
	795	ATOM 792 C MET 52 22.077 15.525 -6.147
	796	ATOM 793 O MET 52 22.331 15.528 -7.377
	797	ATOM 794 CB MET 52 19.733 14.888 -5.520
	798	ATOM 795 CG MET 52 18.820 13.802 -5.029
	799	ATOM 796 SD MET 52 18.593 12.518 -6.298
	800	ATOM 797 CE MET 52 17.140 13.185 -7.164
	801	ATOM 798 H MET 52 21.047 14.234 -3.386
	802	ATOM 799 HA MET 52 21.294 13.535 -6.140
	803	ATOM 800 1HB MET 52 19.628 15.766 -4.883
	804	ATOM 801 2HB MET 52 19.450 15.130 -6.544
	805	ATOM 802 1HG MET 52 19.240 13.353 -4.129
	806	ATOM 803 2HG MET 52 17.848 14.243 -4.807
	807	ATOM 804 1HE MET 52 16.864 12.516 -7.979
	808	ATOM 805 2HE MET 52 16.308 13.270 -6.465
	809	ATOM 806 3HE MET 52 17.378 14.169 -7.567
	810	ATOM 807 N ARG 53 22.488 16.491 -5.340
	811	ATOM 808 CA ARG 53 23.357 17.550 -5.895
	812	ATOM 809 C ARG 53 24.665 16.936 -6.309
	813	ATOM 810 O ARG 53 25.128 17.198 -7.444
	814	ATOM 811 CB ARG 53 23.476 18.743 -4.963
	815	ATOM 812 CG ARG 53 24.712 19.585 -4.904
	816	ATOM 813 CD ARG 53 24.526 20.881 -4.194
	817	ATOM 814 NE ARG 53 24.137 20.759 -2.782
	818	ATOM 815 CZ ARG 53 22.949 21.116 -2.283
	819	ATOM 816 NH1 ARG 53 21.956 21.580 -3.045
	820	ATOM 817 NH2 ARG 53 22.797 21.076 -0.984
	821	ATOM 818 H ARG 53 22.214 16.504 -4.368
	822	ATOM 819 HA ARG 53 22.905 17.976 -6.791
	823	ATOM 820 1HB ARG 53 22.604 19.386 -5.082
	824	ATOM 821 2HB ARG 53 23.550 18.229 -4.005
	825	ATOM 822 1HG ARG 53 25.513 19.021 -4.427
	826	ATOM 823 2HG ARG 53 24.966 19.832 -5.935
	827	ATOM 824 1HD ARG 53 25.439 21.471 -4.270
	828	ATOM 825 2HD ARG 53 23.690 21.374 -4.690
	829	ATOM 826 HE ARG 53 24.023 19.834 -2.392
	830	ATOM 827 1HH1 ARG 53 22.089 21.672 -4.042
	831	ATOM 828 2HH1 ARG 53 21.076 21.837 -2.621
	832	ATOM 829 1HH2 ARG 53 23.565 20.782 -0.398
	833	ATOM 830 2HH2 ARG 53 21.912 21.339 -0.574
	834	ATOM 831 N THR 54 25.282 16.106 -5.486
	835	ATOM 832 CA THR 54 26.565 15.457 -5.745
	836	ATOM 833 C THR 54 26.567 14.390 -6.831
	837	ATOM 834 O THR 54 27.430 14.320 -7.727
	838	ATOM 835 CB THR 54 27.103 14.813 -4.378
	839	ATOM 836 OG1 THR 54 26.939 15.842 -3.350
	840	ATOM 837 CG2 THR 54 28.533 14.325 -4.493
	841	ATOM 838 H THR 54 24.829 15.904 -4.606
	842	ATOM 839 HA THR 54 27.214 16.246 -6.124
	843	ATOM 840 HB THR 54 26.536 13.919 -4.120
	844	ATOM 841 HG1 THR 54 27.249 15.504 -2.507
	845	ATOM 842 1HG2 THR 54 28.596 13.563 -5.270
	846	ATOM 843 2HG2 THR 54 29.183 15.161 -4.751
	847	ATOM 844 3HG2 THR 54 28.849 13.899 -3.541
	848	ATOM 845 N CYS 55 25.605 13.478 -6.742
	849	ATOM 846 CA CYS 55 25.487 12.381 -7.678
	850	ATOM 847 C CYS 55 24.327 12.243 -8.624
	851	ATOM 848 O CYS 55 24.416 11.321 -9.464
	852	ATOM 849 CB CYS 55 25.558 11.073 -6.799
	853	ATOM 850 SG CYS 55 27.108 10.842 -5.962
	854	ATOM 851 H CYS 55 24.931 13.553 -5.993
	855	ATOM 852 HA CYS 55 26.287 12.583 -8.391
	856	ATOM 853 1HB CYS 55 25.349 10.204 -7.423
	857	ATOM 854 2HB CYS 55 24.805 11.189 -6.019
	858	HETATM 855 N GLY 56 23.250 12.959 -8.573
	859	HETATM 856 CA GLY 56 22.055 12.828 -9.404
	860	HETATM 857 C GLY 56 22.203 13.318 -10.815
	861	HETATM 858 O GLY 56 22.062 14.551 -11.007
	862	HETATM 859 H GLY 56 23.234 13.693 -7.879
	863	HETATM 860 1HA GLY 56 21.731 11.787 -9.413
	864	HETATM 861 2HA GLY 56 21.309 13.477 -8.946
	865	HETATM 862 H 862 22.421 12.641 -11.628
	866	HETATM 863 P PO4 70 30.706 10.577 10.314
	867	HETATM 864 O1 PO4 70 31.880 11.494 10.318
	868	HETATM 865 O2 PO4 70 29.700 11.094 11.269
	869	HETATM 866 O3 PO4 70 30.132 10.507 8.949
	870	HETATM 867 O4 PO4 70 31.190 9.240 10.783
	871	HETATM 868 O HOH 80 20.819 13.100 8.431
	872	HETATM 869 H1 HOH 80 20.819 14.060 8.431
	873	HETATM 870 H2 HOH 80 21.724 12.780 8.431
	874	HETATM 871 O HOH 102 30.510 0.396 17.550
	875	HETATM 872 H1 HOH 102 30.510 1.356 17.550
	876	HETATM 873 H2 HOH 102 31.415 0.076 17.550
	877	HETATM 874 O HOH 110 35.009 6.459 -0.855
	878	HETATM 875 H1 HOH 110 35.009 7.419 -0.855
	879	HETATM 876 H2 HOH 110 35.914 6.139 -0.855
	880	HETATM 877 O HOH 111 30.611 3.654 -0.155
	881	HETATM 878 H1 HOH 111 30.611 4.614 -0.155
	882	HETATM 879 H2 HOH 111 31.516 3.334 -0.155
	883	HETATM 880 O HOH 112 28.828 4.406 1.730
	884	HETATM 881 H1 HOH 112 28.828 5.366 1.730
	885	HETATM 882 H2 HOH 112 29.733 4.086 1.730
	886	HETATM 883 O HOH 113 29.841 4.909 4.406
	887	HETATM 884 H1 HOH 113 29.841 5.869 4.406
	888	HETATM 885 H2 HOH 113 30.746 4.589 4.406
	889	HETATM 886 O HOH 117 21.848 -0.746 5.060
	890	HETATM 887 H1 HOH 117 21.848 0.214 5.060
	891	HETATM 888 H2 HOH 117 22.753 -1.066 5.060
	892	HETATM 889 O HOH 119 21.823 5.979 -12.630
	893	HETATM 890 H1 HOH 119 21.823 6.939 -12.630
	894	HETATM 891 H2 HOH 119 22.728 5.659 -12.630
	895	HETATM 892 O HOH 122 30.511 1.654 10.647
	896	HETATM 893 H1 HOH 122 30.511 2.614 10.647
	897	HETATM 894 H2 HOH 122 31.416 1.334 10.647
	898	HETATM 895 O HOH 138 25.621 15.094 3.493
	899	HETATM 896 H1 HOH 138 25.621 16.054 3.493
	900	HETATM 897 H2 HOH 138 26.526 14.774 3.493
	901	HETATM 898 O HOH 143 26.160 3.139 -5.420
	902	HETATM 899 H1 HOH 143 26.160 4.099 -5.420
	903	HETATM 900 H2 HOH 143 27.065 2.819 -5.420
	904	HETATM 901 O HOH 145 33.316 1.413 18.097
	905	HETATM 902 H1 HOH 145 33.316 2.373 18.097
	906	HETATM 903 H2 HOH 145 34.221 1.093 18.097
	907	HETATM 904 O HOH 159 28.583 -2.632 3.791
	908	HETATM 905 H1 HOH 159 28.583 -1.672 3.791
	909	HETATM 906 H2 HOH 159 29.488 -2.952 3.791
	910	HETATM 907 O HOH 160 33.706 3.567 -8.762
	911	HETATM 908 H1 HOH 160 33.706 4.527 -8.762
	912	HETATM 909 H2 HOH 160 34.611 3.247 -8.762
	913	HETATM 910 O HOH 200 14.641 3.645 -11.171
	914	HETATM 911 H1 HOH 200 14.641 4.605 -11.171
	915	HETATM 912 H2 HOH 200 15.546 3.325 -11.171
	916	HETATM 913 O HOH 203 36.110 7.939 7.187
	917	HETATM 914 H1 HOH 203 36.110 8.899 7.187
	918	HETATM 915 H2 HOH 203 37.015 7.619 7.187
	919	HETATM 916 O HOH 204 37.573 6.383 4.119
	920	HETATM 917 H1 HOH 204 37.573 7.343 4.119
	921	HETATM 918 H2 HOH 204 38.478 6.063 4.119
	922	HETATM 919 O HOH 205 17.114 1.480 5.071
	923	HETATM 920 H1 HOH 205 17.114 2.440 5.071
	924	HETATM 921 H2 HOH 205 18.019 1.160 5.071
	925	HETATM 922 O HOH 210 29.293 -0.141 -8.753
	926	HETATM 923 H1 HOH 210 29.293 0.819 -8.753
	927	HETATM 924 H2 HOH 210 30.198 -0.461 -8.753
	928	HETATM 925 O HOH 220 38.003 -0.043 7.446
	929	HETATM 926 H1 HOH 220 38.003 0.917 7.446
	930	HETATM 927 H2 HOH 220 38.908 -0.363 7.446
	931	HETATM 928 O HOH 310 27.894 18.497 -3.763
	932	HETATM 929 H1 HOH 310 27.894 19.457 -3.763
	933	HETATM 930 H2 HOH 310 28.799 18.177 -3.763
	934	HETATM 931 O HOH 400 21.958 7.437 -8.430
	935	HETATM 932 H1 HOH 400 21.958 8.397 -8.430
	936	HETATM 933 H2 HOH 400 22.863 7.117 -8.430
	937	HETATM 934 O HOH 401 31.962 7.677 -12.750
	938	HETATM 935 H1 HOH 401 31.962 8.637 -12.750
	939	HETATM 936 H2 HOH 401 32.867 7.357 -12.750
	940	HETATM 937 O HOH 402 17.664 6.716 -13.231
	941	HETATM 938 H1 HOH 402 17.664 7.676 -13.231
	942	HETATM 939 H2 HOH 402 18.569 6.396 -13.231
	943	HETATM 940 O HOH 403 13.919 2.897 -4.054
	944	HETATM 941 H1 HOH 403 13.919 3.857 -4.054
	945	HETATM 942 H2 HOH 403 14.824 2.577 -4.054
	946	HETATM 943 O HOH 404 21.409 17.309 -9.673
	947	HETATM 944 H1 HOH 404 21.409 18.269 -9.673
	948	HETATM 945 H2 HOH 404 22.314 16.989 -9.673
	949	HETATM 946 O HOH 405 13.834 0.430 16.064
	950	HETATM 947 H1 HOH 405 13.834 1.390 16.064
	951	HETATM 948 H2 HOH 405 14.739 0.110 16.064
	952	HETATM 949 O HOH 406 28.339 15.647 -11.514
	953	HETATM 950 H1 HOH 406 28.339 16.607 -11.514
	954	HETATM 951 H2 HOH 406 29.244 15.327 -11.514
	955	HETATM 952 O HOH 407 15.124 9.979 -1.705
	956	HETATM 953 H1 HOH 407 15.124 10.939 -1.705
	957	HETATM 954 H2 HOH 407 16.029 9.659 -1.705
	958	HETATM 955 O HOH 408 15.714 0.107 18.383
	959	HETATM 956 H1 HOH 408 15.714 1.067 18.383
	960	HETATM 957 H2 HOH 408 16.619 -0.213 18.383
	961	HETATM 958 O HOH 409 28.278 14.368 -14.656
	962	HETATM 959 H1 HOH 409 28.278 15.328 -14.656
	963	HETATM 960 H2 HOH 409 29.183 14.048 -14.656
	964	HETATM 961 O HOH 410 15.105 5.054 0.515
	965	HETATM 962 H1 HOH 410 15.105 6.014 0.515
	966	HETATM 963 H2 HOH 410 16.010 4.734 0.515
	967	HETATM 964 O HOH 411 23.761 -2.671 7.342
	968	HETATM 965 H1 HOH 411 23.761 -1.711 7.342
	969	HETATM 966 H2 HOH 411 24.666 -2.991 7.342
	970	HETATM 967 O HOH 412 32.010 -0.303 -0.690
	971	HETATM 968 H1 HOH 412 32.010 0.657 -0.690
	972	HETATM 969 H2 HOH 412 32.915 -0.623 -0.690
	973	HETATM 970 O HOH 413 25.967 19.801 -1.055
	974	HETATM 971 H1 HOH 413 25.967 20.761 -1.055
	975	HETATM 972 H2 HOH 413 26.872 19.481 -1.055
	976	HETATM 973 O HOH 414 35.741 2.717 -2.480
	977	HETATM 974 H1 HOH 414 35.741 3.677 -2.480
	978	HETATM 975 H2 HOH 414 36.646 2.397 -2.480
	979	HETATM 976 O HOH 415 22.383 20.755 1.804
	980	HETATM 977 H1 HOH 415 22.383 21.715 1.804
	981	HETATM 978 H2 HOH 415 23.288 20.435 1.804
	982	HETATM 979 O HOH 416 26.289 11.963 -15.860
	983	HETATM 980 H1 HOH 416 26.289 12.923 -15.860
	984	HETATM 981 H2 HOH 416 27.194 11.643 -15.860
	985	HETATM 982 O HOH 417 28.681 15.680 -0.316
	986	HETATM 983 H1 HOH 417 28.681 16.640 -0.316
	987	HETATM 984 H2 HOH 417 29.586 15.360 -0.316
	988	HETATM 985 O HOH 418 28.804 19.336 -6.207
	989	HETATM 986 H1 HOH 418 28.804 20.296 -6.207
	990	HETATM 987 H2 HOH 418 29.709 19.016 -6.207
	991	CONECT 1 12 2
	992	CONECT 2 1 3 5 13
	993	CONECT 3 2 25 4
	994	CONECT 4 3
	995	CONECT 5 2 6 14 15
	996	CONECT 6 5 7 16 17
	997	CONECT 7 6 8 18 19
	998	CONECT 8 7 9 20
	999	CONECT 9 10 11 8
	1000	CONECT 10 9 21 22
	1001	CONECT 11 9 23 24
	1002	CONECT 12 1
	1003	CONECT 13 2
	1004	CONECT 14 5
	1005	CONECT 15 5
	1006	CONECT 16 6
	1007	CONECT 17 6
	1008	CONECT 18 7
	1009	CONECT 19 7
	1010	CONECT 20 8
	1011	CONECT 21 10
	1012	CONECT 22 10
	1013	CONECT 23 11
	1014	CONECT 24 11
	1015	CONECT 25 26 31 3
	1016	CONECT 26 25 27 29 32
	1017	CONECT 27 26 39 28
	1018	CONECT 28 27
	1019	CONECT 29 26 30 33 34
	1020	CONECT 30 29 31 35 36
	1021	CONECT 31 25 30 37 38
	1022	CONECT 32 26
	1023	CONECT 33 29
	1024	CONECT 34 29
	1025	CONECT 35 30
	1026	CONECT 36 30
	1027	CONECT 37 31
	1028	CONECT 38 31
	1029	CONECT 39 27 40 47
	1030	CONECT 40 39 41 43 48
	1031	CONECT 41 40 51 42
	1032	CONECT 42 41
	1033	CONECT 43 40 44 49 50
	1034	CONECT 44 45 46 43
	1035	CONECT 45 44
	1036	CONECT 46 44
	1037	CONECT 47 39
	1038	CONECT 48 40
	1039	CONECT 49 43
	1040	CONECT 50 43
	1041	CONECT 51 41 52 62
	1042	CONECT 52 51 53 55 63
	1043	CONECT 53 52 71 54
	1044	CONECT 54 53
	1045	CONECT 55 52 56 64 65
	1046	CONECT 56 57 58 55
	1047	CONECT 57 56 59 66
	1048	CONECT 58 56 60 67
	1049	CONECT 59 57 61 68
	1050	CONECT 60 58 61 69
	1051	CONECT 61 59 60 70
	1052	CONECT 62 51
	1053	CONECT 63 52
	1054	CONECT 64 55
	1055	CONECT 65 55
	1056	CONECT 66 57
	1057	CONECT 67 58
	1058	CONECT 68 59
	1059	CONECT 69 60
	1060	CONECT 70 61
	1061	CONECT 71 53 72 77
	1062	CONECT 72 71 73 75 78
	1063	CONECT 73 72 81 74
	1064	CONECT 74 73
	1065	CONECT 75 76 72 79 80
	1066	CONECT 76 850 75
	1067	CONECT 77 71
	1068	CONECT 78 72
	1069	CONECT 79 75
	1070	CONECT 80 75
	1071	CONECT 81 73 82 89
	1072	CONECT 82 81 83 85 90
	1073	CONECT 83 82 100 84
	1074	CONECT 84 83
	1075	CONECT 85 82 86 91 92
	1076	CONECT 86 88 87 85 93
	1077	CONECT 87 86 94 95 96
	1078	CONECT 88 86 97 98 99
	1079	CONECT 89 81
	1080	CONECT 90 82
	1081	CONECT 91 85
	1082	CONECT 92 85
	1083	CONECT 93 86
	1084	CONECT 94 87
	1085	CONECT 95 87
	1086	CONECT 96 87
	1087	CONECT 97 88
	1088	CONECT 98 88
	1089	CONECT 99 88
	1090	CONECT 100 83 101 109
	1091	CONECT 101 100 102 104 110
	1092	CONECT 102 101 115 103
	1093	CONECT 103 102
	1094	CONECT 104 101 105 111 112
	1095	CONECT 105 104 106 113 114
	1096	CONECT 106 107 108 105
	1097	CONECT 107 106
	1098	CONECT 108 106
	1099	CONECT 109 100
	1100	CONECT 110 101
	1101	CONECT 111 104
	1102	CONECT 112 104
	1103	CONECT 113 105
	1104	CONECT 114 105
	1105	CONECT 115 116 121 102
	1106	CONECT 116 115 117 119 122
	1107	CONECT 117 116 129 118
	1108	CONECT 118 117
	1109	CONECT 119 116 120 123 124
	1110	CONECT 120 119 121 125 126
	1111	CONECT 121 115 120 127 128
	1112	CONECT 122 116
	1113	CONECT 123 119
	1114	CONECT 124 119
	1115	CONECT 125 120
	1116	CONECT 126 120
	1117	CONECT 127 121
	1118	CONECT 128 121
	1119	CONECT 129 130 135 117
	1120	CONECT 130 129 131 133 136
	1121	CONECT 131 130 143 132
	1122	CONECT 132 131
	1123	CONECT 133 130 134 137 138
	1124	CONECT 134 133 135 139 140
	1125	CONECT 135 129 134 141 142
	1126	CONECT 136 130
	1127	CONECT 137 133
	1128	CONECT 138 133
	1129	CONECT 139 134
	1130	CONECT 140 134
	1131	CONECT 141 135
	1132	CONECT 142 135
	1133	CONECT 143 131 144 155
	1134	CONECT 144 143 145 147 156
	1135	CONECT 145 144 164 146
	1136	CONECT 146 145
	1137	CONECT 147 144 148 157 158
	1138	CONECT 148 149 150 147
	1139	CONECT 149 148 151 159
	1140	CONECT 150 148 152 160
	1141	CONECT 151 149 153 161
	1142	CONECT 152 150 153 162
	1143	CONECT 153 151 152 154
	1144	CONECT 154 153 163
	1145	CONECT 155 143
	1146	CONECT 156 144
	1147	CONECT 157 147
	1148	CONECT 158 147
	1149	CONECT 159 149
	1150	CONECT 160 150
	1151	CONECT 161 151
	1152	CONECT 162 152
	1153	CONECT 163 154
	1154	CONECT 164 145 165 171
	1155	CONECT 165 164 166 168 172
	1156	CONECT 166 165 178 167
	1157	CONECT 167 166
	1158	CONECT 168 169 170 165 173
	1159	CONECT 169 168 174
	1160	CONECT 170 168 175 176 177
	1161	CONECT 171 164
	1162	CONECT 172 165
	1163	CONECT 173 168
	1164	CONECT 174 169
	1165	CONECT 175 170
	1166	CONECT 176 170
	1167	CONECT 177 170
	1168	CONECT 178 166 179 182
	1169	CONECT 179 178 183 184 180
	1170	CONECT 180 179 185 181
	1171	CONECT 181 180
	1172	CONECT 182 178
	1173	CONECT 183 179
	1174	CONECT 184 179
	1175	CONECT 185 186 191 180
	1176	CONECT 186 185 187 189 192
	1177	CONECT 187 186 199 188
	1178	CONECT 188 187
	1179	CONECT 189 186 190 193 194
	1180	CONECT 190 189 191 195 196
	1181	CONECT 191 185 190 197 198
	1182	CONECT 192 186
	1183	CONECT 193 189
	1184	CONECT 194 189
	1185	CONECT 195 190
	1186	CONECT 196 190
	1187	CONECT 197 191
	1188	CONECT 198 191
	1189	CONECT 199 187 200 205
	1190	CONECT 200 199 201 203 206
	1191	CONECT 201 200 209 202
	1192	CONECT 202 201
	1193	CONECT 203 204 200 207 208
	1194	CONECT 204 577 203
	1195	CONECT 205 199
	1196	CONECT 206 200
	1197	CONECT 207 203
	1198	CONECT 208 203
	1199	CONECT 209 201 210 218
	1200	CONECT 210 209 211 213 219
	1201	CONECT 211 210 231 212
	1202	CONECT 212 211
	1203	CONECT 213 210 214 220 221
	1204	CONECT 214 213 215 222 223
	1205	CONECT 215 214 216 224 225
	1206	CONECT 216 215 217 226 227
	1207	CONECT 217 216 228 229 230
	1208	CONECT 218 209
	1209	CONECT 219 210
	1210	CONECT 220 213
	1211	CONECT 221 213
	1212	CONECT 222 214
	1213	CONECT 223 214
	1214	CONECT 224 215
	1215	CONECT 225 215
	1216	CONECT 226 216
	1217	CONECT 227 216
	1218	CONECT 228 217
	1219	CONECT 229 217
	1220	CONECT 230 217
	1221	CONECT 231 211 232 236
	1222	CONECT 232 231 233 235 237
	1223	CONECT 233 232 241 234
	1224	CONECT 234 233
	1225	CONECT 235 232 238 239 240
	1226	CONECT 236 231
	1227	CONECT 237 232
	1228	CONECT 238 235
	1229	CONECT 239 235
	1230	CONECT 240 235
	1231	CONECT 241 233 242 252
	1232	CONECT 242 241 243 245 253
	1233	CONECT 243 242 265 244
	1234	CONECT 244 243
	1235	CONECT 245 242 246 254 255
	1236	CONECT 246 245 247 256 257
	1237	CONECT 247 246 248 258 259
	1238	CONECT 248 247 249 260
	1239	CONECT 249 250 251 248
	1240	CONECT 250 249 261 262
	1241	CONECT 251 249 263 264
	1242	CONECT 252 241
	1243	CONECT 253 242
	1244	CONECT 254 245
	1245	CONECT 255 245
	1246	CONECT 256 246
	1247	CONECT 257 246
	1248	CONECT 258 247
	1249	CONECT 259 247
	1250	CONECT 260 248
	1251	CONECT 261 250
	1252	CONECT 262 250
	1253	CONECT 263 251
	1254	CONECT 264 251
	1255	CONECT 265 243 266 273
	1256	CONECT 266 265 267 269 274
	1257	CONECT 267 266 284 268
	1258	CONECT 268 267
	1259	CONECT 269 270 271 266 275
	1260	CONECT 270 269 272 276 277
	1261	CONECT 271 269 278 279 280
	1262	CONECT 272 270 281 282 283
	1263	CONECT 273 265
	1264	CONECT 274 266
	1265	CONECT 275 269
	1266	CONECT 276 270
	1267	CONECT 277 270
	1268	CONECT 278 271
	1269	CONECT 279 271
	1270	CONECT 280 271
	1271	CONECT 281 272
	1272	CONECT 282 272
	1273	CONECT 283 272
	1274	CONECT 284 267 285 292
	1275	CONECT 285 284 286 288 293
	1276	CONECT 286 285 303 287
	1277	CONECT 287 286
	1278	CONECT 288 289 290 285 294
	1279	CONECT 289 288 291 295 296
	1280	CONECT 290 288 297 298 299
	1281	CONECT 291 289 300 301 302
	1282	CONECT 292 284
	1283	CONECT 293 285
	1284	CONECT 294 288
	1285	CONECT 295 289
	1286	CONECT 296 289
	1287	CONECT 297 290
	1288	CONECT 298 290
	1289	CONECT 299 290
	1290	CONECT 300 291
	1291	CONECT 301 291
	1292	CONECT 302 291
	1293	CONECT 303 286 304 314
	1294	CONECT 304 303 305 307 315
	1295	CONECT 305 304 327 306
	1296	CONECT 306 305
	1297	CONECT 307 304 308 316 317
	1298	CONECT 308 307 309 318 319
	1299	CONECT 309 308 310 320 321
	1300	CONECT 310 309 311 322
	1301	CONECT 311 312 313 310
	1302	CONECT 312 311 323 324
	1303	CONECT 313 311 325 326
	1304	CONECT 314 303
	1305	CONECT 315 304
	1306	CONECT 316 307
	1307	CONECT 317 307
	1308	CONECT 318 308
	1309	CONECT 319 308
	1310	CONECT 320 309
	1311	CONECT 321 309
	1312	CONECT 322 310
	1313	CONECT 323 312
	1314	CONECT 324 312
	1315	CONECT 325 313
	1316	CONECT 326 313
	1317	CONECT 327 305 328 339
	1318	CONECT 328 327 329 331 340
	1319	CONECT 329 328 348 330
	1320	CONECT 330 329
	1321	CONECT 331 328 332 341 342
	1322	CONECT 332 333 334 331
	1323	CONECT 333 332 335 343
	1324	CONECT 334 332 336 344
	1325	CONECT 335 333 337 345
	1326	CONECT 336 334 337 346
	1327	CONECT 337 335 336 338
	1328	CONECT 338 337 347
	1329	CONECT 339 327
	1330	CONECT 340 328
	1331	CONECT 341 331
	1332	CONECT 342 331
	1333	CONECT 343 333
	1334	CONECT 344 334
	1335	CONECT 345 335
	1336	CONECT 346 336
	1337	CONECT 347 338
	1338	CONECT 348 329 349 359
	1339	CONECT 349 348 350 352 360
	1340	CONECT 350 349 368 351
	1341	CONECT 351 350
	1342	CONECT 352 349 353 361 362
	1343	CONECT 353 354 355 352
	1344	CONECT 354 353 356 363
	1345	CONECT 355 353 357 364
	1346	CONECT 356 354 358 365
	1347	CONECT 357 355 358 366
	1348	CONECT 358 356 357 367
	1349	CONECT 359 348
	1350	CONECT 360 349
	1351	CONECT 361 352
	1352	CONECT 362 352
	1353	CONECT 363 354
	1354	CONECT 364 355
	1355	CONECT 365 356
	1356	CONECT 366 357
	1357	CONECT 367 358
	1358	CONECT 368 350 369 373
	1359	CONECT 369 368 370 372 374
	1360	CONECT 370 369 378 371
	1361	CONECT 371 370
	1362	CONECT 372 369 375 376 377
	1363	CONECT 373 368
	1364	CONECT 374 369
	1365	CONECT 375 372
	1366	CONECT 376 372
	1367	CONECT 377 372
	1368	CONECT 378 370 379 386
	1369	CONECT 379 378 380 382 387
	1370	CONECT 380 379 392 381
	1371	CONECT 381 380
	1372	CONECT 382 379 383 388 389
	1373	CONECT 383 384 385 382
	1374	CONECT 384 383
	1375	CONECT 385 390 391 383
	1376	CONECT 386 378
	1377	CONECT 387 379
	1378	CONECT 388 382
	1379	CONECT 389 382
	1380	CONECT 390 385
	1381	CONECT 391 385
	1382	CONECT 392 380 393 397
	1383	CONECT 393 392 394 396 398
	1384	CONECT 394 393 402 395
	1385	CONECT 395 394
	1386	CONECT 396 393 399 400 401
	1387	CONECT 397 392
	1388	CONECT 398 393
	1389	CONECT 399 396
	1390	CONECT 400 396
	1391	CONECT 401 396
	1392	CONECT 402 394 403 411
	1393	CONECT 403 402 404 406 412
	1394	CONECT 404 403 424 405
	1395	CONECT 405 404
	1396	CONECT 406 403 407 413 414
	1397	CONECT 407 406 408 415 416
	1398	CONECT 408 407 409 417 418
	1399	CONECT 409 408 410 419 420
	1400	CONECT 410 409 421 422 423
	1401	CONECT 411 402
	1402	CONECT 412 403
	1403	CONECT 413 406
	1404	CONECT 414 406
	1405	CONECT 415 407
	1406	CONECT 416 407
	1407	CONECT 417 408
	1408	CONECT 418 408
	1409	CONECT 419 409
	1410	CONECT 420 409
	1411	CONECT 421 410
	1412	CONECT 422 410
	1413	CONECT 423 410
	1414	CONECT 424 404 425 429
	1415	CONECT 425 424 426 428 430
	1416	CONECT 426 425 434 427
	1417	CONECT 427 426
	1418	CONECT 428 425 431 432 433
	1419	CONECT 429 424
	1420	CONECT 430 425
	1421	CONECT 431 428
	1422	CONECT 432 428
	1423	CONECT 433 428
	1424	CONECT 434 426 435 438
	1425	CONECT 435 434 439 440 436
	1426	CONECT 436 435 441 437
	1427	CONECT 437 436
	1428	CONECT 438 434
	1429	CONECT 439 435
	1430	CONECT 440 435
	1431	CONECT 441 436 442 449
	1432	CONECT 442 441 443 445 450
	1433	CONECT 443 442 460 444
	1434	CONECT 444 443
	1435	CONECT 445 442 446 451 452
	1436	CONECT 446 448 447 445 453
	1437	CONECT 447 446 454 455 456
	1438	CONECT 448 446 457 458 459
	1439	CONECT 449 441
	1440	CONECT 450 442
	1441	CONECT 451 445
	1442	CONECT 452 445
	1443	CONECT 453 446
	1444	CONECT 454 447
	1445	CONECT 455 447
	1446	CONECT 456 447
	1447	CONECT 457 448
	1448	CONECT 458 448
	1449	CONECT 459 448
	1450	CONECT 460 443 461 466
	1451	CONECT 461 460 462 464 467
	1452	CONECT 462 461 470 463
	1453	CONECT 463 462
	1454	CONECT 464 465 461 468 469
	1455	CONECT 465 785 464
	1456	CONECT 466 460
	1457	CONECT 467 461
	1458	CONECT 468 464
	1459	CONECT 469 464
	1460	CONECT 470 462 471 479
	1461	CONECT 471 470 472 474 480
	1462	CONECT 472 471 487 473
	1463	CONECT 473 472
	1464	CONECT 474 471 475 481 482
	1465	CONECT 475 474 476 483 484
	1466	CONECT 476 477 478 475
	1467	CONECT 477 476
	1468	CONECT 478 485 486 476
	1469	CONECT 479 470
	1470	CONECT 480 471
	1471	CONECT 481 474
	1472	CONECT 482 474
	1473	CONECT 483 475
	1474	CONECT 484 475
	1475	CONECT 485 478
	1476	CONECT 486 478
	1477	CONECT 487 472 488 494
	1478	CONECT 488 487 489 491 495
	1479	CONECT 489 488 501 490
	1480	CONECT 490 489
	1481	CONECT 491 492 493 488 496
	1482	CONECT 492 491 497
	1483	CONECT 493 491 498 499 500
	1484	CONECT 494 487
	1485	CONECT 495 488
	1486	CONECT 496 491
	1487	CONECT 497 492
	1488	CONECT 498 493
	1489	CONECT 499 493
	1490	CONECT 500 493
	1491	CONECT 501 489 502 512
	1492	CONECT 502 501 503 505 513
	1493	CONECT 503 502 521 504
	1494	CONECT 504 503
	1495	CONECT 505 502 506 514 515
	1496	CONECT 506 507 508 505
	1497	CONECT 507 506 509 516
	1498	CONECT 508 506 510 517
	1499	CONECT 509 507 511 518
	1500	CONECT 510 508 511 519
	1501	CONECT 511 509 510 520
	1502	CONECT 512 501
	1503	CONECT 513 502
	1504	CONECT 514 505
	1505	CONECT 515 505
	1506	CONECT 516 507
	1507	CONECT 517 508
	1508	CONECT 518 509
	1509	CONECT 519 510
	1510	CONECT 520 511
	1511	CONECT 521 503 522 528
	1512	CONECT 522 521 523 525 529
	1513	CONECT 523 522 537 524
	1514	CONECT 524 523
	1515	CONECT 525 527 526 522 530
	1516	CONECT 526 525 531 532 533
	1517	CONECT 527 525 534 535 536
	1518	CONECT 528 521
	1519	CONECT 529 522
	1520	CONECT 530 525
	1521	CONECT 531 526
	1522	CONECT 532 526
	1523	CONECT 533 526
	1524	CONECT 534 527
	1525	CONECT 535 527
	1526	CONECT 536 527
	1527	CONECT 537 523 538 549
	1528	CONECT 538 537 539 541 550
	1529	CONECT 539 538 558 540
	1530	CONECT 540 539
	1531	CONECT 541 538 542 551 552
	1532	CONECT 542 543 544 541
	1533	CONECT 543 542 545 553
	1534	CONECT 544 542 546 554
	1535	CONECT 545 543 547 555
	1536	CONECT 546 544 547 556
	1537	CONECT 547 545 546 548
	1538	CONECT 548 547 557
	1539	CONECT 549 537
	1540	CONECT 550 538
	1541	CONECT 551 541
	1542	CONECT 552 541
	1543	CONECT 553 543
	1544	CONECT 554 544
	1545	CONECT 555 545
	1546	CONECT 556 546
	1547	CONECT 557 548
	1548	CONECT 558 539 559 562
	1549	CONECT 559 558 563 564 560
	1550	CONECT 560 559 565 561
	1551	CONECT 561 560
	1552	CONECT 562 558
	1553	CONECT 563 559
	1554	CONECT 564 559
	1555	CONECT 565 560 566 569
	1556	CONECT 566 565 570 571 567
	1557	CONECT 567 566 572 568
	1558	CONECT 568 567
	1559	CONECT 569 565
	1560	CONECT 570 566
	1561	CONECT 571 566
	1562	CONECT 572 567 573 578
	1563	CONECT 573 572 574 576 579
	1564	CONECT 574 573 582 575
	1565	CONECT 575 574
	1566	CONECT 576 577 573 580 581
	1567	CONECT 577 204 576
	1568	CONECT 578 572
	1569	CONECT 579 573
	1570	CONECT 580 576
	1571	CONECT 581 576
	1572	CONECT 582 574 583 593
	1573	CONECT 583 582 584 586 594
	1574	CONECT 584 583 606 585
	1575	CONECT 585 584
	1576	CONECT 586 583 587 595 596
	1577	CONECT 587 586 588 597 598
	1578	CONECT 588 587 589 599 600
	1579	CONECT 589 588 590 601
	1580	CONECT 590 591 592 589
	1581	CONECT 591 590 602 603
	1582	CONECT 592 590 604 605
	1583	CONECT 593 582
	1584	CONECT 594 583
	1585	CONECT 595 586
	1586	CONECT 596 586
	1587	CONECT 597 587
	1588	CONECT 598 587
	1589	CONECT 599 588
	1590	CONECT 600 588
	1591	CONECT 601 589
	1592	CONECT 602 591
	1593	CONECT 603 591
	1594	CONECT 604 592
	1595	CONECT 605 592
	1596	CONECT 606 584 607 611
	1597	CONECT 607 606 608 610 612
	1598	CONECT 608 607 616 609
	1599	CONECT 609 608
	1600	CONECT 610 607 613 614 615
	1601	CONECT 611 606
	1602	CONECT 612 607
	1603	CONECT 613 610
	1604	CONECT 614 610
	1605	CONECT 615 610
	1606	CONECT 616 608 617 625
	1607	CONECT 617 616 618 620 626
	1608	CONECT 618 617 638 619
	1609	CONECT 619 618
	1610	CONECT 620 617 621 627 628
	1611	CONECT 621 620 622 629 630
	1612	CONECT 622 621 623 631 632
	1613	CONECT 623 622 624 633 634
	1614	CONECT 624 623 635 636 637
	1615	CONECT 625 616
	1616	CONECT 626 617
	1617	CONECT 627 620
	1618	CONECT 628 620
	1619	CONECT 629 621
	1620	CONECT 630 621
	1621	CONECT 631 622
	1622	CONECT 632 622
	1623	CONECT 633 623
	1624	CONECT 634 623
	1625	CONECT 635 624
	1626	CONECT 636 624
	1627	CONECT 637 624
	1628	CONECT 638 618 639 649
	1629	CONECT 639 638 640 642 650
	1630	CONECT 640 639 662 641
	1631	CONECT 641 640
	1632	CONECT 642 639 643 651 652
	1633	CONECT 643 642 644 653 654
	1634	CONECT 644 643 645 655 656
	1635	CONECT 645 644 646 657
	1636	CONECT 646 647 648 645
	1637	CONECT 647 646 658 659
	1638	CONECT 648 646 660 661
	1639	CONECT 649 638
	1640	CONECT 650 639
	1641	CONECT 651 642
	1642	CONECT 652 642
	1643	CONECT 653 643
	1644	CONECT 654 643
	1645	CONECT 655 644
	1646	CONECT 656 644
	1647	CONECT 657 645
	1648	CONECT 658 647
	1649	CONECT 659 647
	1650	CONECT 660 648
	1651	CONECT 661 648
	1652	CONECT 662 640 663 670
	1653	CONECT 663 662 664 666 671
	1654	CONECT 664 663 676 665
	1655	CONECT 665 664
	1656	CONECT 666 663 667 672 673
	1657	CONECT 667 668 669 666
	1658	CONECT 668 667
	1659	CONECT 669 674 675 667
	1660	CONECT 670 662
	1661	CONECT 671 663
	1662	CONECT 672 666
	1663	CONECT 673 666
	1664	CONECT 674 669
	1665	CONECT 675 669
	1666	CONECT 676 664 677 684
	1667	CONECT 677 676 678 680 685
	1668	CONECT 678 677 690 679
	1669	CONECT 679 678
	1670	CONECT 680 677 681 686 687
	1671	CONECT 681 682 683 680
	1672	CONECT 682 681
	1673	CONECT 683 688 689 681
	1674	CONECT 684 676
	1675	CONECT 685 677
	1676	CONECT 686 680
	1677	CONECT 687 680
	1678	CONECT 688 683
	1679	CONECT 689 683
	1680	CONECT 690 678 691 701
	1681	CONECT 691 690 692 694 702
	1682	CONECT 692 691 710 693
	1683	CONECT 693 692
	1684	CONECT 694 691 695 703 704
	1685	CONECT 695 696 697 694
	1686	CONECT 696 695 698 705
	1687	CONECT 697 695 699 706
	1688	CONECT 698 696 700 707
	1689	CONECT 699 697 700 708
	1690	CONECT 700 698 699 709
	1691	CONECT 701 690
	1692	CONECT 702 691
	1693	CONECT 703 694
	1694	CONECT 704 694
	1695	CONECT 705 696
	1696	CONECT 706 697
	1697	CONECT 707 698
	1698	CONECT 708 699
	1699	CONECT 709 700
	1700	CONECT 710 692 711 719
	1701	CONECT 711 710 712 714 720
	1702	CONECT 712 711 732 713
	1703	CONECT 713 712
	1704	CONECT 714 711 715 721 722
	1705	CONECT 715 714 716 723 724
	1706	CONECT 716 715 717 725 726
	1707	CONECT 717 716 718 727 728
	1708	CONECT 718 717 729 730 731
	1709	CONECT 719 710
	1710	CONECT 720 711
	1711	CONECT 721 714
	1712	CONECT 722 714
	1713	CONECT 723 715
	1714	CONECT 724 715
	1715	CONECT 725 716
	1716	CONECT 726 716
	1717	CONECT 727 717
	1718	CONECT 728 717
	1719	CONECT 729 718
	1720	CONECT 730 718
	1721	CONECT 731 718
	1722	CONECT 732 712 733 738
	1723	CONECT 733 732 734 736 739
	1724	CONECT 734 733 743 735
	1725	CONECT 735 734
	1726	CONECT 736 733 737 740 741
	1727	CONECT 737 736 742
	1728	CONECT 738 732
	1729	CONECT 739 733
	1730	CONECT 740 736
	1731	CONECT 741 736
	1732	CONECT 742 737
	1733	CONECT 743 734 744 748
	1734	CONECT 744 743 745 747 749
	1735	CONECT 745 744 753 746
	1736	CONECT 746 745
	1737	CONECT 747 744 750 751 752
	1738	CONECT 748 743
	1739	CONECT 749 744
	1740	CONECT 750 747
	1741	CONECT 751 747
	1742	CONECT 752 747
	1743	CONECT 753 745 754 762
	1744	CONECT 754 753 755 757 763
	1745	CONECT 755 754 768 756
	1746	CONECT 756 755
	1747	CONECT 757 754 758 764 765
	1748	CONECT 758 757 759 766 767
	1749	CONECT 759 760 761 758
	1750	CONECT 760 759
	1751	CONECT 761 759
	1752	CONECT 762 753
	1753	CONECT 763 754
	1754	CONECT 764 757
	1755	CONECT 765 757
	1756	CONECT 766 758
	1757	CONECT 767 758
	1758	CONECT 768 755 769 776
	1759	CONECT 769 768 770 772 777
	1760	CONECT 770 769 780 771
	1761	CONECT 771 770
	1762	CONECT 772 769 773 778 779
	1763	CONECT 773 774 775 772
	1764	CONECT 774 773
	1765	CONECT 775 773
	1766	CONECT 776 768
	1767	CONECT 777 769
	1768	CONECT 778 772
	1769	CONECT 779 772
	1770	CONECT 780 770 781 786
	1771	CONECT 781 780 782 784 787
	1772	CONECT 782 781 790 783
	1773	CONECT 783 782
	1774	CONECT 784 785 781 788 789
	1775	CONECT 785 465 784
	1776	CONECT 786 780
	1777	CONECT 787 781
	1778	CONECT 788 784
	1779	CONECT 789 784
	1780	CONECT 790 782 791 798
	1781	CONECT 791 790 792 794 799
	1782	CONECT 792 791 807 793
	1783	CONECT 793 792
	1784	CONECT 794 791 795 800 801
	1785	CONECT 795 794 796 802 803
	1786	CONECT 796 795 797
	1787	CONECT 797 796 804 805 806
	1788	CONECT 798 790
	1789	CONECT 799 791
	1790	CONECT 800 794
	1791	CONECT 801 794
	1792	CONECT 802 795
	1793	CONECT 803 795
	1794	CONECT 804 797
	1795	CONECT 805 797
	1796	CONECT 806 797
	1797	CONECT 807 792 808 818
	1798	CONECT 808 807 809 811 819
	1799	CONECT 809 808 831 810
	1800	CONECT 810 809
	1801	CONECT 811 808 812 820 821
	1802	CONECT 812 811 813 822 823
	1803	CONECT 813 812 814 824 825
	1804	CONECT 814 813 815 826
	1805	CONECT 815 816 817 814
	1806	CONECT 816 815 827 828
	1807	CONECT 817 815 829 830
	1808	CONECT 818 807
	1809	CONECT 819 808
	1810	CONECT 820 811
	1811	CONECT 821 811
	1812	CONECT 822 812
	1813	CONECT 823 812
	1814	CONECT 824 813
	1815	CONECT 825 813
	1816	CONECT 826 814
	1817	CONECT 827 816
	1818	CONECT 828 816
	1819	CONECT 829 817
	1820	CONECT 830 817
	1821	CONECT 831 809 832 838
	1822	CONECT 832 831 833 835 839
	1823	CONECT 833 832 845 834
	1824	CONECT 834 833
	1825	CONECT 835 836 837 832 840
	1826	CONECT 836 835 841
	1827	CONECT 837 835 842 843 844
	1828	CONECT 838 831
	1829	CONECT 839 832
	1830	CONECT 840 835
	1831	CONECT 841 836
	1832	CONECT 842 837
	1833	CONECT 843 837
	1834	CONECT 844 837
	1835	CONECT 845 833 846 851
	1836	CONECT 846 845 847 849 852
	1837	CONECT 847 846 855 848
	1838	CONECT 848 847
	1839	CONECT 849 850 846 853 854
	1840	CONECT 850 76 849
	1841	CONECT 851 845
	1842	CONECT 852 846
	1843	CONECT 853 849
	1844	CONECT 854 849
	1845	CONECT 855 847 856 859
	1846	CONECT 856 855 860 861 857
	1847	CONECT 857 856 858 862
	1848	CONECT 858 857
	1849	CONECT 859 855
	1850	CONECT 860 856
	1851	CONECT 861 856
	1852	CONECT 862 857
	1853	CONECT 863 864 865 866 867
	1854	CONECT 864 863
	1855	CONECT 865 863
	1856	CONECT 866 863
	1857	CONECT 867 863
	1858	CONECT 868 869 870
	1859	CONECT 869 868
	1860	CONECT 870 868
	1861	CONECT 871 872 873
	1862	CONECT 872 871
	1863	CONECT 873 871
	1864	CONECT 874 875 876
	1865	CONECT 875 874
	1866	CONECT 876 874
	1867	CONECT 877 878 879
	1868	CONECT 878 877
	1869	CONECT 879 877
	1870	CONECT 880 881 882
	1871	CONECT 881 880
	1872	CONECT 882 880
	1873	CONECT 883 884 885
	1874	CONECT 884 883
	1875	CONECT 885 883
	1876	CONECT 886 887 888
	1877	CONECT 887 886
	1878	CONECT 888 886
	1879	CONECT 889 890 891
	1880	CONECT 890 889
	1881	CONECT 891 889
	1882	CONECT 892 893 894
	1883	CONECT 893 892
	1884	CONECT 894 892
	1885	CONECT 895 896 897
	1886	CONECT 896 895
	1887	CONECT 897 895
	1888	CONECT 898 899 900
	1889	CONECT 899 898
	1890	CONECT 900 898
	1891	CONECT 901 902 903
	1892	CONECT 902 901
	1893	CONECT 903 901
	1894	CONECT 904 905 906
	1895	CONECT 905 904
	1896	CONECT 906 904
	1897	CONECT 907 908 909
	1898	CONECT 908 907
	1899	CONECT 909 907
	1900	CONECT 910 911 912
	1901	CONECT 911 910
	1902	CONECT 912 910
	1903	CONECT 913 914 915
	1904	CONECT 914 913
	1905	CONECT 915 913
	1906	CONECT 916 917 918
	1907	CONECT 917 916
	1908	CONECT 918 916
	1909	CONECT 919 920 921
	1910	CONECT 920 919
	1911	CONECT 921 919
	1912	CONECT 922 923 924
	1913	CONECT 923 922
	1914	CONECT 924 922
	1915	CONECT 925 926 927
	1916	CONECT 926 925
	1917	CONECT 927 925
	1918	CONECT 928 929 930
	1919	CONECT 929 928
	1920	CONECT 930 928
	1921	CONECT 931 932 933
	1922	CONECT 932 931
	1923	CONECT 933 931
	1924	CONECT 934 935 936
	1925	CONECT 935 934
	1926	CONECT 936 934
	1927	CONECT 937 938 939
	1928	CONECT 938 937
	1929	CONECT 939 937
	1930	CONECT 940 941 942
	1931	CONECT 941 940
	1932	CONECT 942 940
	1933	CONECT 943 944 945
	1934	CONECT 944 943
	1935	CONECT 945 943
	1936	CONECT 946 947 948
	1937	CONECT 947 946
	1938	CONECT 948 946
	1939	CONECT 949 950 951
	1940	CONECT 950 949
	1941	CONECT 951 949
	1942	CONECT 952 953 954
	1943	CONECT 953 952
	1944	CONECT 954 952
	1945	CONECT 955 956 957
	1946	CONECT 956 955
	1947	CONECT 957 955
	1948	CONECT 958 959 960
	1949	CONECT 959 958
	1950	CONECT 960 958
	1951	CONECT 961 962 963
	1952	CONECT 962 961
	1953	CONECT 963 961
	1954	CONECT 964 965 966
	1955	CONECT 965 964
	1956	CONECT 966 964
	1957	CONECT 967 968 969
	1958	CONECT 968 967
	1959	CONECT 969 967
	1960	CONECT 970 971 972
	1961	CONECT 971 970
	1962	CONECT 972 970
	1963	CONECT 973 974 975
	1964	CONECT 974 973
	1965	CONECT 975 973
	1966	CONECT 976 977 978
	1967	CONECT 977 976
	1968	CONECT 978 976
	1969	CONECT 979 980 981
	1970	CONECT 980 979
	1971	CONECT 981 979
	1972	CONECT 982 983 984
	1973	CONECT 983 982
	1974	CONECT 984 982
	1975	CONECT 985 986 987
	1976	CONECT 986 985
	1977	CONECT 987 985
	1978	END

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source: data/molecules/bpti.pdb@ 321470

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