USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 66:sc= 0.719 USER MOD Set 1.2: A 109 GLN : amide:sc= -1.07 K(o=-0.35,f=-4.1!) USER MOD Set 2.1: A 91 HIS : no HD1:sc= -2.19 K(o=-3.6,f=-4.4) USER MOD Set 2.2: A 94 LYS NZ :NH3+ -133:sc= -1.46! (180deg=-2.71!) USER MOD Set 3.1: A 46 SER OG : rot -150:sc= 0 USER MOD Set 3.2: A 64 HIS : no HE2:sc= -4.43! C(o=-4.4!,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.114 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 12:sc= 0.538 USER MOD Single : A 10 HIS : no HD1:sc= 1.03 K(o=1,f=-3.4!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -156:sc= -3.4! (180deg=-4.73!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.54) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -65:sc= -0.398 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.0064) USER MOD Single : A 49 SER OG : rot 120:sc= -0.954 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -60:sc= 0.749 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= -0.0125 (180deg=-0.352) USER MOD Single : A 68 MET CE :methyl -134:sc= -2.14! (180deg=-2.69!) USER MOD Single : A 69 CYS SG : rot 113:sc= 0.216 USER MOD Single : A 74 TYR OH : rot -36:sc= 1.19 USER MOD Single : A 75 THR OG1 : rot -120:sc= 0.792 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 38:sc= 0.858 USER MOD Single : A 86 THR OG1 : rot -33:sc= 0.00481 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -84:sc= 1.13 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 69:sc= 0.0218 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.369 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 34:sc= 0.417 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 172:sc= 0 (180deg=-0.089) USER MOD Single : B 3 ASN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.269 K(o=-0.27,f=-3.1!) USER MOD Single : B 9 SER OG : rot -153:sc= 0.47 USER MOD Single : B 12 ASN : amide:sc= -6.2! C(o=-6.2!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.880 -14.403 -9.411 1.00 0.00 N ATOM 2 CA GLY A 1 17.059 -13.657 -9.809 1.00 0.00 C ATOM 3 C GLY A 1 16.752 -12.599 -10.851 1.00 0.00 C ATOM 4 O GLY A 1 16.752 -11.405 -10.551 1.00 0.00 O ATOM 0 H1 GLY A 1 16.143 -15.113 -8.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.177 -13.752 -9.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.474 -14.880 -10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.498 -13.182 -8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.805 -14.346 -10.205 1.00 0.00 H new ATOM 8 N SER A 2 16.489 -13.037 -12.078 1.00 0.00 N ATOM 9 CA SER A 2 16.183 -12.119 -13.169 1.00 0.00 C ATOM 10 C SER A 2 14.724 -11.677 -13.114 1.00 0.00 C ATOM 11 O SER A 2 13.822 -12.498 -12.951 1.00 0.00 O ATOM 12 CB SER A 2 16.478 -12.780 -14.517 1.00 0.00 C ATOM 13 OG SER A 2 15.576 -13.842 -14.772 1.00 0.00 O ATOM 0 H SER A 2 16.482 -14.022 -12.342 1.00 0.00 H new ATOM 0 HA SER A 2 16.815 -11.238 -13.058 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.406 -12.039 -15.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.501 -13.157 -14.525 1.00 0.00 H new ATOM 0 HG SER A 2 14.805 -13.767 -14.172 1.00 0.00 H new ATOM 19 N SER A 3 14.501 -10.375 -13.253 1.00 0.00 N ATOM 20 CA SER A 3 13.152 -9.821 -13.215 1.00 0.00 C ATOM 21 C SER A 3 12.534 -9.804 -14.609 1.00 0.00 C ATOM 22 O SER A 3 13.175 -9.403 -15.580 1.00 0.00 O ATOM 23 CB SER A 3 13.175 -8.405 -12.637 1.00 0.00 C ATOM 24 OG SER A 3 13.464 -8.426 -11.249 1.00 0.00 O ATOM 0 H SER A 3 15.237 -9.683 -13.393 1.00 0.00 H new ATOM 0 HA SER A 3 12.542 -10.457 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.923 -7.808 -13.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.211 -7.925 -12.804 1.00 0.00 H new ATOM 0 HG SER A 3 13.475 -7.509 -10.903 1.00 0.00 H new ATOM 30 N GLY A 4 11.283 -10.243 -14.700 1.00 0.00 N ATOM 31 CA GLY A 4 10.597 -10.271 -15.979 1.00 0.00 C ATOM 32 C GLY A 4 9.443 -9.290 -16.039 1.00 0.00 C ATOM 33 O GLY A 4 9.587 -8.180 -16.551 1.00 0.00 O ATOM 0 H GLY A 4 10.732 -10.580 -13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.307 -10.041 -16.774 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.224 -11.278 -16.166 1.00 0.00 H new ATOM 37 N SER A 5 8.291 -9.702 -15.516 1.00 0.00 N ATOM 38 CA SER A 5 7.105 -8.854 -15.518 1.00 0.00 C ATOM 39 C SER A 5 7.266 -7.693 -14.540 1.00 0.00 C ATOM 40 O SER A 5 7.567 -7.894 -13.364 1.00 0.00 O ATOM 41 CB SER A 5 5.866 -9.674 -15.152 1.00 0.00 C ATOM 42 OG SER A 5 5.457 -10.490 -16.236 1.00 0.00 O ATOM 0 H SER A 5 8.155 -10.617 -15.086 1.00 0.00 H new ATOM 0 HA SER A 5 6.981 -8.447 -16.522 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.082 -10.298 -14.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.053 -9.005 -14.869 1.00 0.00 H new ATOM 0 HG SER A 5 4.665 -11.005 -15.977 1.00 0.00 H new ATOM 48 N SER A 6 7.063 -6.477 -15.038 1.00 0.00 N ATOM 49 CA SER A 6 7.190 -5.282 -14.212 1.00 0.00 C ATOM 50 C SER A 6 5.852 -4.919 -13.575 1.00 0.00 C ATOM 51 O SER A 6 5.066 -4.162 -14.142 1.00 0.00 O ATOM 52 CB SER A 6 7.704 -4.109 -15.048 1.00 0.00 C ATOM 53 OG SER A 6 8.973 -4.401 -15.609 1.00 0.00 O ATOM 0 H SER A 6 6.810 -6.294 -16.009 1.00 0.00 H new ATOM 0 HA SER A 6 7.907 -5.494 -13.418 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.993 -3.886 -15.844 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.775 -3.217 -14.425 1.00 0.00 H new ATOM 0 HG SER A 6 9.280 -3.637 -16.140 1.00 0.00 H new ATOM 59 N GLY A 7 5.601 -5.465 -12.388 1.00 0.00 N ATOM 60 CA GLY A 7 4.358 -5.188 -11.693 1.00 0.00 C ATOM 61 C GLY A 7 4.514 -4.113 -10.634 1.00 0.00 C ATOM 62 O GLY A 7 5.237 -3.138 -10.832 1.00 0.00 O ATOM 0 H GLY A 7 6.236 -6.094 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.603 -4.876 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.994 -6.103 -11.227 1.00 0.00 H new ATOM 66 N TRP A 8 3.833 -4.292 -9.507 1.00 0.00 N ATOM 67 CA TRP A 8 3.897 -3.330 -8.414 1.00 0.00 C ATOM 68 C TRP A 8 4.423 -3.984 -7.142 1.00 0.00 C ATOM 69 O TRP A 8 4.127 -3.536 -6.034 1.00 0.00 O ATOM 70 CB TRP A 8 2.517 -2.723 -8.159 1.00 0.00 C ATOM 71 CG TRP A 8 1.389 -3.633 -8.540 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.397 -3.375 -9.443 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.137 -4.947 -8.030 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.457 -4.449 -9.523 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.024 -5.425 -8.668 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.780 -5.765 -7.098 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.554 -6.685 -8.400 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.253 -7.015 -6.833 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.096 -7.466 -7.483 1.00 0.00 C ATOM 0 H TRP A 8 3.230 -5.095 -9.327 1.00 0.00 H new ATOM 0 HA TRP A 8 4.586 -2.536 -8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.429 -2.469 -7.103 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.428 -1.792 -8.719 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.298 -2.461 -10.011 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.280 -4.509 -10.123 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.673 -5.427 -6.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.447 -7.033 -8.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.741 -7.655 -6.113 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.290 -8.449 -7.256 1.00 0.00 H new ATOM 90 N TYR A 9 5.201 -5.047 -7.307 1.00 0.00 N ATOM 91 CA TYR A 9 5.766 -5.766 -6.170 1.00 0.00 C ATOM 92 C TYR A 9 7.196 -5.311 -5.894 1.00 0.00 C ATOM 93 O TYR A 9 8.088 -5.493 -6.722 1.00 0.00 O ATOM 94 CB TYR A 9 5.739 -7.274 -6.430 1.00 0.00 C ATOM 95 CG TYR A 9 5.671 -8.103 -5.168 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.467 -8.291 -4.501 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.810 -8.699 -4.641 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.399 -9.048 -3.346 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.752 -9.458 -3.488 1.00 0.00 C ATOM 100 CZ TYR A 9 5.544 -9.629 -2.845 1.00 0.00 C ATOM 101 OH TYR A 9 5.483 -10.385 -1.696 1.00 0.00 O ATOM 0 H TYR A 9 5.456 -5.431 -8.217 1.00 0.00 H new ATOM 0 HA TYR A 9 5.158 -5.544 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.880 -7.511 -7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.631 -7.554 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.568 -7.838 -4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.758 -8.567 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.455 -9.183 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.647 -9.915 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 9 4.546 -10.567 -1.473 1.00 0.00 H new ATOM 111 N HIS A 10 7.405 -4.719 -4.722 1.00 0.00 N ATOM 112 CA HIS A 10 8.726 -4.238 -4.333 1.00 0.00 C ATOM 113 C HIS A 10 9.263 -5.029 -3.144 1.00 0.00 C ATOM 114 O HIS A 10 9.297 -4.531 -2.020 1.00 0.00 O ATOM 115 CB HIS A 10 8.669 -2.750 -3.987 1.00 0.00 C ATOM 116 CG HIS A 10 8.495 -1.863 -5.182 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.547 -1.217 -5.799 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.386 -1.518 -5.875 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.090 -0.513 -6.818 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.781 -0.679 -6.887 1.00 0.00 N ATOM 0 H HIS A 10 6.677 -4.561 -4.026 1.00 0.00 H new ATOM 0 HA HIS A 10 9.401 -4.381 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.845 -2.578 -3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.586 -2.471 -3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.377 -1.843 -5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.685 0.096 -7.483 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.165 -0.253 -7.579 1.00 0.00 H new ATOM 129 N GLY A 11 9.682 -6.265 -3.401 1.00 0.00 N ATOM 130 CA GLY A 11 10.211 -7.104 -2.342 1.00 0.00 C ATOM 131 C GLY A 11 11.505 -6.564 -1.767 1.00 0.00 C ATOM 132 O GLY A 11 12.127 -5.674 -2.347 1.00 0.00 O ATOM 0 H GLY A 11 9.664 -6.700 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.471 -7.189 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.380 -8.109 -2.729 1.00 0.00 H new ATOM 136 N HIS A 12 11.911 -7.102 -0.622 1.00 0.00 N ATOM 137 CA HIS A 12 13.140 -6.668 0.034 1.00 0.00 C ATOM 138 C HIS A 12 13.051 -5.199 0.437 1.00 0.00 C ATOM 139 O HIS A 12 14.051 -4.482 0.423 1.00 0.00 O ATOM 140 CB HIS A 12 14.339 -6.885 -0.890 1.00 0.00 C ATOM 141 CG HIS A 12 14.488 -8.301 -1.355 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.048 -9.293 -0.579 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.146 -8.888 -2.526 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.044 -10.430 -1.252 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.502 -10.211 -2.436 1.00 0.00 N ATOM 0 H HIS A 12 11.407 -7.839 -0.129 1.00 0.00 H new ATOM 0 HA HIS A 12 13.273 -7.266 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.240 -6.234 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.248 -6.585 -0.369 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.680 -8.406 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.420 -11.377 -0.895 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.369 -10.911 -3.166 1.00 0.00 H new ATOM 154 N MET A 13 11.848 -4.759 0.791 1.00 0.00 N ATOM 155 CA MET A 13 11.631 -3.376 1.198 1.00 0.00 C ATOM 156 C MET A 13 11.124 -3.305 2.635 1.00 0.00 C ATOM 157 O MET A 13 10.540 -4.260 3.145 1.00 0.00 O ATOM 158 CB MET A 13 10.632 -2.698 0.259 1.00 0.00 C ATOM 159 CG MET A 13 10.172 -1.332 0.744 1.00 0.00 C ATOM 160 SD MET A 13 8.811 -0.670 -0.235 1.00 0.00 S ATOM 161 CE MET A 13 9.703 0.057 -1.607 1.00 0.00 C ATOM 0 H MET A 13 11.009 -5.340 0.804 1.00 0.00 H new ATOM 0 HA MET A 13 12.585 -2.853 1.142 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.087 -2.591 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.762 -3.344 0.140 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.862 -1.406 1.786 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.011 -0.637 0.710 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.098 0.844 -2.058 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.641 0.481 -1.248 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.914 -0.711 -2.352 1.00 0.00 H new ATOM 171 N SER A 14 11.355 -2.168 3.283 1.00 0.00 N ATOM 172 CA SER A 14 10.925 -1.974 4.664 1.00 0.00 C ATOM 173 C SER A 14 9.762 -0.990 4.737 1.00 0.00 C ATOM 174 O SER A 14 9.552 -0.190 3.827 1.00 0.00 O ATOM 175 CB SER A 14 12.091 -1.468 5.516 1.00 0.00 C ATOM 176 OG SER A 14 13.071 -2.477 5.689 1.00 0.00 O ATOM 0 H SER A 14 11.837 -1.367 2.875 1.00 0.00 H new ATOM 0 HA SER A 14 10.590 -2.935 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.542 -0.597 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.721 -1.145 6.489 1.00 0.00 H new ATOM 0 HG SER A 14 13.806 -2.129 6.235 1.00 0.00 H new ATOM 182 N GLY A 15 9.008 -1.056 5.831 1.00 0.00 N ATOM 183 CA GLY A 15 7.874 -0.166 6.005 1.00 0.00 C ATOM 184 C GLY A 15 8.248 1.291 5.824 1.00 0.00 C ATOM 185 O GLY A 15 7.863 1.921 4.841 1.00 0.00 O ATOM 0 H GLY A 15 9.162 -1.709 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.096 -0.430 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.453 -0.309 7.000 1.00 0.00 H new ATOM 189 N GLY A 16 9.002 1.829 6.779 1.00 0.00 N ATOM 190 CA GLY A 16 9.414 3.219 6.704 1.00 0.00 C ATOM 191 C GLY A 16 9.936 3.595 5.331 1.00 0.00 C ATOM 192 O GLY A 16 9.899 4.763 4.946 1.00 0.00 O ATOM 0 H GLY A 16 9.334 1.327 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.569 3.860 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.189 3.406 7.448 1.00 0.00 H new ATOM 196 N GLN A 17 10.426 2.603 4.595 1.00 0.00 N ATOM 197 CA GLN A 17 10.961 2.838 3.259 1.00 0.00 C ATOM 198 C GLN A 17 9.851 3.228 2.288 1.00 0.00 C ATOM 199 O GLN A 17 9.852 4.330 1.741 1.00 0.00 O ATOM 200 CB GLN A 17 11.683 1.589 2.749 1.00 0.00 C ATOM 201 CG GLN A 17 12.822 1.894 1.789 1.00 0.00 C ATOM 202 CD GLN A 17 13.760 2.962 2.317 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.156 2.935 3.483 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.121 3.909 1.460 1.00 0.00 N ATOM 0 H GLN A 17 10.464 1.631 4.900 1.00 0.00 H new ATOM 0 HA GLN A 17 11.672 3.662 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.076 1.033 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.962 0.941 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.387 0.981 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.410 2.218 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.769 3.892 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.751 4.654 1.758 1.00 0.00 H new ATOM 213 N ALA A 18 8.905 2.317 2.080 1.00 0.00 N ATOM 214 CA ALA A 18 7.788 2.568 1.178 1.00 0.00 C ATOM 215 C ALA A 18 7.335 4.022 1.257 1.00 0.00 C ATOM 216 O ALA A 18 7.125 4.671 0.234 1.00 0.00 O ATOM 217 CB ALA A 18 6.631 1.633 1.498 1.00 0.00 C ATOM 0 H ALA A 18 8.890 1.399 2.524 1.00 0.00 H new ATOM 0 HA ALA A 18 8.125 2.375 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.804 1.832 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.956 0.599 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.303 1.798 2.524 1.00 0.00 H new ATOM 223 N GLU A 19 7.183 4.524 2.477 1.00 0.00 N ATOM 224 CA GLU A 19 6.752 5.902 2.689 1.00 0.00 C ATOM 225 C GLU A 19 7.596 6.868 1.862 1.00 0.00 C ATOM 226 O GLU A 19 7.068 7.759 1.196 1.00 0.00 O ATOM 227 CB GLU A 19 6.844 6.266 4.172 1.00 0.00 C ATOM 228 CG GLU A 19 5.565 5.990 4.946 1.00 0.00 C ATOM 229 CD GLU A 19 5.674 6.378 6.408 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.782 6.257 6.972 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.652 6.800 6.988 1.00 0.00 O ATOM 0 H GLU A 19 7.352 3.998 3.335 1.00 0.00 H new ATOM 0 HA GLU A 19 5.714 5.986 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.661 5.705 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.093 7.323 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.742 6.539 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.321 4.930 4.872 1.00 0.00 H new ATOM 238 N THR A 20 8.912 6.686 1.912 1.00 0.00 N ATOM 239 CA THR A 20 9.830 7.541 1.170 1.00 0.00 C ATOM 240 C THR A 20 9.608 7.416 -0.332 1.00 0.00 C ATOM 241 O THR A 20 9.276 8.393 -1.005 1.00 0.00 O ATOM 242 CB THR A 20 11.298 7.201 1.490 1.00 0.00 C ATOM 243 OG1 THR A 20 11.528 7.301 2.900 1.00 0.00 O ATOM 244 CG2 THR A 20 12.244 8.134 0.751 1.00 0.00 C ATOM 0 H THR A 20 9.366 5.954 2.459 1.00 0.00 H new ATOM 0 HA THR A 20 9.626 8.566 1.480 1.00 0.00 H new ATOM 0 HB THR A 20 11.490 6.180 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.463 7.082 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.274 7.874 0.993 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.088 8.035 -0.323 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.049 9.163 1.052 1.00 0.00 H new ATOM 252 N LEU A 21 9.792 6.207 -0.854 1.00 0.00 N ATOM 253 CA LEU A 21 9.610 5.954 -2.278 1.00 0.00 C ATOM 254 C LEU A 21 8.284 6.528 -2.769 1.00 0.00 C ATOM 255 O LEU A 21 8.224 7.173 -3.817 1.00 0.00 O ATOM 256 CB LEU A 21 9.663 4.451 -2.560 1.00 0.00 C ATOM 257 CG LEU A 21 10.918 3.722 -2.078 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.748 3.257 -0.640 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.233 2.544 -2.988 1.00 0.00 C ATOM 0 H LEU A 21 10.067 5.388 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 21 10.420 6.448 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.795 3.984 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.570 4.300 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 21 11.756 4.419 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.651 2.741 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.572 4.119 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.898 2.577 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.129 2.037 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.395 1.847 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.401 2.903 -4.003 1.00 0.00 H new ATOM 271 N LEU A 22 7.224 6.290 -2.005 1.00 0.00 N ATOM 272 CA LEU A 22 5.899 6.785 -2.360 1.00 0.00 C ATOM 273 C LEU A 22 5.854 8.309 -2.308 1.00 0.00 C ATOM 274 O LEU A 22 5.613 8.967 -3.319 1.00 0.00 O ATOM 275 CB LEU A 22 4.845 6.200 -1.418 1.00 0.00 C ATOM 276 CG LEU A 22 4.324 4.808 -1.776 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.472 4.250 -0.646 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.529 4.853 -3.073 1.00 0.00 C ATOM 0 H LEU A 22 7.256 5.757 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 22 5.682 6.468 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.266 6.161 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.998 6.885 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 22 5.179 4.147 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.110 3.259 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.072 4.180 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.623 4.911 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.166 3.853 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.682 5.529 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.169 5.209 -3.880 1.00 0.00 H new ATOM 290 N GLN A 23 6.092 8.862 -1.123 1.00 0.00 N ATOM 291 CA GLN A 23 6.081 10.309 -0.940 1.00 0.00 C ATOM 292 C GLN A 23 6.916 11.000 -2.012 1.00 0.00 C ATOM 293 O GLN A 23 6.415 11.845 -2.755 1.00 0.00 O ATOM 294 CB GLN A 23 6.609 10.673 0.449 1.00 0.00 C ATOM 295 CG GLN A 23 5.576 10.523 1.553 1.00 0.00 C ATOM 296 CD GLN A 23 6.108 10.931 2.911 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.318 11.053 3.105 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.207 11.145 3.862 1.00 0.00 N ATOM 0 H GLN A 23 6.295 8.331 -0.276 1.00 0.00 H new ATOM 0 HA GLN A 23 5.051 10.653 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.468 10.042 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.965 11.703 0.434 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.703 11.129 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.243 9.486 1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.214 11.033 3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.508 11.422 4.796 1.00 0.00 H new ATOM 307 N ALA A 24 8.192 10.635 -2.088 1.00 0.00 N ATOM 308 CA ALA A 24 9.097 11.219 -3.071 1.00 0.00 C ATOM 309 C ALA A 24 8.409 11.379 -4.422 1.00 0.00 C ATOM 310 O ALA A 24 8.579 12.391 -5.101 1.00 0.00 O ATOM 311 CB ALA A 24 10.348 10.364 -3.210 1.00 0.00 C ATOM 0 H ALA A 24 8.622 9.938 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 24 9.386 12.210 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.015 10.812 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.857 10.305 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.069 9.361 -3.535 1.00 0.00 H new ATOM 317 N LYS A 25 7.633 10.372 -4.808 1.00 0.00 N ATOM 318 CA LYS A 25 6.919 10.399 -6.080 1.00 0.00 C ATOM 319 C LYS A 25 5.952 11.578 -6.134 1.00 0.00 C ATOM 320 O LYS A 25 5.836 12.252 -7.157 1.00 0.00 O ATOM 321 CB LYS A 25 6.157 9.089 -6.289 1.00 0.00 C ATOM 322 CG LYS A 25 5.501 8.978 -7.654 1.00 0.00 C ATOM 323 CD LYS A 25 6.472 8.452 -8.698 1.00 0.00 C ATOM 324 CE LYS A 25 6.127 8.963 -10.089 1.00 0.00 C ATOM 325 NZ LYS A 25 7.244 8.751 -11.050 1.00 0.00 N ATOM 0 H LYS A 25 7.482 9.526 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 25 7.652 10.515 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.844 8.254 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.391 8.997 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.638 8.315 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.130 9.956 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.486 8.756 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.455 7.362 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.234 8.454 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.889 10.025 -10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.970 9.112 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.089 9.258 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.454 7.735 -11.119 1.00 0.00 H new ATOM 339 N GLY A 26 5.259 11.821 -5.026 1.00 0.00 N ATOM 340 CA GLY A 26 4.311 12.918 -4.968 1.00 0.00 C ATOM 341 C GLY A 26 3.070 12.656 -5.798 1.00 0.00 C ATOM 342 O GLY A 26 2.245 13.548 -5.990 1.00 0.00 O ATOM 0 H GLY A 26 5.337 11.277 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.021 13.090 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.793 13.830 -5.319 1.00 0.00 H new ATOM 346 N GLU A 27 2.938 11.428 -6.292 1.00 0.00 N ATOM 347 CA GLU A 27 1.788 11.054 -7.107 1.00 0.00 C ATOM 348 C GLU A 27 0.666 10.493 -6.239 1.00 0.00 C ATOM 349 O GLU A 27 0.828 9.493 -5.538 1.00 0.00 O ATOM 350 CB GLU A 27 2.198 10.021 -8.160 1.00 0.00 C ATOM 351 CG GLU A 27 2.789 10.638 -9.418 1.00 0.00 C ATOM 352 CD GLU A 27 2.587 9.766 -10.643 1.00 0.00 C ATOM 353 OE1 GLU A 27 1.628 8.968 -10.654 1.00 0.00 O ATOM 354 OE2 GLU A 27 3.391 9.885 -11.592 1.00 0.00 O ATOM 0 H GLU A 27 3.612 10.677 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 27 1.422 11.950 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.927 9.338 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.326 9.426 -8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.332 11.612 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.855 10.808 -9.269 1.00 0.00 H new ATOM 361 N PRO A 28 -0.502 11.151 -6.285 1.00 0.00 N ATOM 362 CA PRO A 28 -1.675 10.736 -5.509 1.00 0.00 C ATOM 363 C PRO A 28 -2.278 9.432 -6.022 1.00 0.00 C ATOM 364 O PRO A 28 -2.327 9.193 -7.228 1.00 0.00 O ATOM 365 CB PRO A 28 -2.658 11.893 -5.707 1.00 0.00 C ATOM 366 CG PRO A 28 -2.260 12.511 -7.004 1.00 0.00 C ATOM 367 CD PRO A 28 -0.767 12.349 -7.098 1.00 0.00 C ATOM 0 HA PRO A 28 -1.426 10.543 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.688 11.537 -5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.594 12.611 -4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.759 12.021 -7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.541 13.564 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.442 12.215 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.243 13.222 -6.710 1.00 0.00 H new ATOM 375 N TRP A 29 -2.735 8.595 -5.098 1.00 0.00 N ATOM 376 CA TRP A 29 -3.335 7.315 -5.457 1.00 0.00 C ATOM 377 C TRP A 29 -2.278 6.344 -5.973 1.00 0.00 C ATOM 378 O TRP A 29 -2.564 5.486 -6.808 1.00 0.00 O ATOM 379 CB TRP A 29 -4.420 7.516 -6.516 1.00 0.00 C ATOM 380 CG TRP A 29 -5.291 8.708 -6.254 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.666 9.662 -7.156 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.894 9.072 -5.009 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.466 10.598 -6.546 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.621 10.258 -5.228 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.893 8.510 -3.728 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.336 10.890 -4.215 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.603 9.139 -2.723 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.318 10.319 -2.972 1.00 0.00 C ATOM 0 H TRP A 29 -2.702 8.779 -4.095 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.786 6.890 -4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.949 7.627 -7.493 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.043 6.623 -6.562 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.376 9.679 -8.196 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.877 11.413 -7.001 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.347 7.600 -3.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.886 11.800 -4.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.607 8.715 -1.730 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.865 10.786 -2.167 1.00 0.00 H new ATOM 399 N THR A 30 -1.056 6.484 -5.468 1.00 0.00 N ATOM 400 CA THR A 30 0.043 5.619 -5.879 1.00 0.00 C ATOM 401 C THR A 30 0.186 4.428 -4.940 1.00 0.00 C ATOM 402 O THR A 30 0.743 4.548 -3.848 1.00 0.00 O ATOM 403 CB THR A 30 1.377 6.389 -5.921 1.00 0.00 C ATOM 404 OG1 THR A 30 1.289 7.472 -6.852 1.00 0.00 O ATOM 405 CG2 THR A 30 2.521 5.467 -6.313 1.00 0.00 C ATOM 0 H THR A 30 -0.803 7.188 -4.774 1.00 0.00 H new ATOM 0 HA THR A 30 -0.194 5.261 -6.881 1.00 0.00 H new ATOM 0 HB THR A 30 1.575 6.784 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.636 8.128 -6.530 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.453 6.033 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.604 4.660 -5.585 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.327 5.046 -7.300 1.00 0.00 H new ATOM 413 N PHE A 31 -0.321 3.277 -5.370 1.00 0.00 N ATOM 414 CA PHE A 31 -0.250 2.063 -4.566 1.00 0.00 C ATOM 415 C PHE A 31 0.990 1.246 -4.921 1.00 0.00 C ATOM 416 O PHE A 31 1.539 1.376 -6.016 1.00 0.00 O ATOM 417 CB PHE A 31 -1.508 1.215 -4.771 1.00 0.00 C ATOM 418 CG PHE A 31 -1.532 0.486 -6.084 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.945 1.127 -7.241 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.142 -0.841 -6.161 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.968 0.459 -8.450 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.161 -1.515 -7.369 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.576 -0.864 -8.514 1.00 0.00 C ATOM 0 H PHE A 31 -0.785 3.160 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.183 2.356 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.584 0.490 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.385 1.859 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.253 2.161 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.819 -1.355 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.292 0.971 -9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.852 -2.549 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.594 -1.388 -9.458 1.00 0.00 H new ATOM 433 N LEU A 32 1.424 0.406 -3.989 1.00 0.00 N ATOM 434 CA LEU A 32 2.599 -0.432 -4.203 1.00 0.00 C ATOM 435 C LEU A 32 2.618 -1.603 -3.225 1.00 0.00 C ATOM 436 O LEU A 32 2.366 -1.433 -2.033 1.00 0.00 O ATOM 437 CB LEU A 32 3.876 0.397 -4.047 1.00 0.00 C ATOM 438 CG LEU A 32 4.395 0.568 -2.619 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.179 -0.660 -2.185 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.257 1.818 -2.511 1.00 0.00 C ATOM 0 H LEU A 32 0.981 0.287 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 32 2.552 -0.829 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.661 -0.066 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.697 1.386 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 32 3.539 0.681 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.540 -0.520 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.532 -1.537 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.027 -0.805 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.618 1.924 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.107 1.734 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.665 2.693 -2.779 1.00 0.00 H new ATOM 452 N VAL A 33 2.921 -2.791 -3.739 1.00 0.00 N ATOM 453 CA VAL A 33 2.976 -3.990 -2.912 1.00 0.00 C ATOM 454 C VAL A 33 4.391 -4.242 -2.404 1.00 0.00 C ATOM 455 O VAL A 33 5.370 -3.885 -3.059 1.00 0.00 O ATOM 456 CB VAL A 33 2.492 -5.230 -3.687 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.458 -6.449 -2.778 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.123 -4.973 -4.300 1.00 0.00 C ATOM 0 H VAL A 33 3.132 -2.948 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 33 2.313 -3.820 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 33 3.196 -5.430 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.114 -7.315 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.459 -6.643 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.777 -6.264 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.796 -5.859 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.407 -4.747 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.184 -4.128 -4.986 1.00 0.00 H new ATOM 468 N ARG A 34 4.492 -4.862 -1.232 1.00 0.00 N ATOM 469 CA ARG A 34 5.787 -5.162 -0.635 1.00 0.00 C ATOM 470 C ARG A 34 5.653 -6.228 0.448 1.00 0.00 C ATOM 471 O ARG A 34 4.673 -6.250 1.193 1.00 0.00 O ATOM 472 CB ARG A 34 6.407 -3.894 -0.043 1.00 0.00 C ATOM 473 CG ARG A 34 5.560 -3.253 1.044 1.00 0.00 C ATOM 474 CD ARG A 34 6.293 -2.101 1.714 1.00 0.00 C ATOM 475 NE ARG A 34 5.506 -1.503 2.788 1.00 0.00 N ATOM 476 CZ ARG A 34 5.351 -2.059 3.984 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.927 -3.222 4.258 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.619 -1.453 4.911 1.00 0.00 N ATOM 0 H ARG A 34 3.692 -5.166 -0.678 1.00 0.00 H new ATOM 0 HA ARG A 34 6.440 -5.545 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.387 -4.136 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.566 -3.170 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.627 -2.891 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.297 -4.002 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.241 -2.459 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.529 -1.340 0.970 1.00 0.00 H new ATOM 0 HE ARG A 34 5.050 -0.608 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.491 -3.691 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.806 -3.647 5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.174 -0.558 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.501 -1.882 5.829 1.00 0.00 H new ATOM 492 N GLU A 35 6.644 -7.111 0.530 1.00 0.00 N ATOM 493 CA GLU A 35 6.634 -8.180 1.521 1.00 0.00 C ATOM 494 C GLU A 35 6.567 -7.610 2.934 1.00 0.00 C ATOM 495 O GLU A 35 6.868 -6.437 3.158 1.00 0.00 O ATOM 496 CB GLU A 35 7.880 -9.056 1.371 1.00 0.00 C ATOM 497 CG GLU A 35 7.696 -10.216 0.407 1.00 0.00 C ATOM 498 CD GLU A 35 8.808 -11.242 0.511 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.989 -10.836 0.551 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.497 -12.451 0.552 1.00 0.00 O ATOM 0 H GLU A 35 7.463 -7.107 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 35 5.747 -8.790 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.709 -8.438 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.158 -9.448 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.740 -10.700 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.654 -9.833 -0.613 1.00 0.00 H new ATOM 507 N SER A 36 6.169 -8.449 3.886 1.00 0.00 N ATOM 508 CA SER A 36 6.057 -8.029 5.278 1.00 0.00 C ATOM 509 C SER A 36 7.136 -8.687 6.132 1.00 0.00 C ATOM 510 O SER A 36 6.900 -9.714 6.768 1.00 0.00 O ATOM 511 CB SER A 36 4.672 -8.377 5.828 1.00 0.00 C ATOM 512 OG SER A 36 4.297 -9.695 5.469 1.00 0.00 O ATOM 0 H SER A 36 5.919 -9.424 3.718 1.00 0.00 H new ATOM 0 HA SER A 36 6.195 -6.949 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.673 -8.279 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.937 -7.669 5.445 1.00 0.00 H new ATOM 0 HG SER A 36 4.192 -9.752 4.496 1.00 0.00 H new ATOM 518 N LEU A 37 8.322 -8.087 6.142 1.00 0.00 N ATOM 519 CA LEU A 37 9.439 -8.613 6.917 1.00 0.00 C ATOM 520 C LEU A 37 8.962 -9.151 8.263 1.00 0.00 C ATOM 521 O LEU A 37 9.058 -10.349 8.533 1.00 0.00 O ATOM 522 CB LEU A 37 10.492 -7.525 7.135 1.00 0.00 C ATOM 523 CG LEU A 37 11.081 -6.898 5.870 1.00 0.00 C ATOM 524 CD1 LEU A 37 11.590 -5.494 6.157 1.00 0.00 C ATOM 525 CD2 LEU A 37 12.198 -7.770 5.315 1.00 0.00 C ATOM 0 H LEU A 37 8.534 -7.236 5.622 1.00 0.00 H new ATOM 0 HA LEU A 37 9.884 -9.434 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.047 -6.732 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.308 -7.949 7.720 1.00 0.00 H new ATOM 0 HG LEU A 37 10.293 -6.829 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.005 -5.064 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.766 -4.873 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.364 -5.537 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.606 -7.310 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.986 -7.870 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.803 -8.756 5.071 1.00 0.00 H new ATOM 537 N SER A 38 8.446 -8.259 9.102 1.00 0.00 N ATOM 538 CA SER A 38 7.956 -8.644 10.420 1.00 0.00 C ATOM 539 C SER A 38 7.295 -10.019 10.374 1.00 0.00 C ATOM 540 O SER A 38 7.868 -11.009 10.828 1.00 0.00 O ATOM 541 CB SER A 38 6.961 -7.605 10.941 1.00 0.00 C ATOM 542 OG SER A 38 7.623 -6.578 11.658 1.00 0.00 O ATOM 0 H SER A 38 8.356 -7.265 8.893 1.00 0.00 H new ATOM 0 HA SER A 38 8.809 -8.692 11.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.411 -7.173 10.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.229 -8.090 11.587 1.00 0.00 H new ATOM 0 HG SER A 38 6.965 -5.926 11.979 1.00 0.00 H new ATOM 548 N GLN A 39 6.088 -10.070 9.822 1.00 0.00 N ATOM 549 CA GLN A 39 5.349 -11.323 9.716 1.00 0.00 C ATOM 550 C GLN A 39 5.704 -12.058 8.429 1.00 0.00 C ATOM 551 O GLN A 39 5.338 -11.645 7.328 1.00 0.00 O ATOM 552 CB GLN A 39 3.844 -11.057 9.768 1.00 0.00 C ATOM 553 CG GLN A 39 3.041 -12.209 10.351 1.00 0.00 C ATOM 554 CD GLN A 39 3.029 -12.204 11.866 1.00 0.00 C ATOM 555 OE1 GLN A 39 3.441 -13.172 12.506 1.00 0.00 O ATOM 556 NE2 GLN A 39 2.554 -11.110 12.450 1.00 0.00 N ATOM 0 H GLN A 39 5.601 -9.259 9.441 1.00 0.00 H new ATOM 0 HA GLN A 39 5.629 -11.953 10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.662 -10.161 10.362 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.485 -10.849 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.016 -12.155 9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.457 -13.152 9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.223 -10.331 11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.520 -11.049 13.468 1.00 0.00 H new ATOM 565 N PRO A 40 6.435 -13.174 8.566 1.00 0.00 N ATOM 566 CA PRO A 40 6.855 -13.990 7.424 1.00 0.00 C ATOM 567 C PRO A 40 5.686 -14.719 6.770 1.00 0.00 C ATOM 568 O PRO A 40 5.089 -15.614 7.365 1.00 0.00 O ATOM 569 CB PRO A 40 7.831 -14.993 8.044 1.00 0.00 C ATOM 570 CG PRO A 40 7.418 -15.088 9.472 1.00 0.00 C ATOM 571 CD PRO A 40 6.906 -13.726 9.847 1.00 0.00 C ATOM 0 HA PRO A 40 7.292 -13.384 6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.771 -15.962 7.549 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.862 -14.651 7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.646 -15.845 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.259 -15.376 10.103 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.100 -13.787 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.690 -13.109 10.287 1.00 0.00 H new ATOM 579 N GLY A 41 5.365 -14.329 5.540 1.00 0.00 N ATOM 580 CA GLY A 41 4.268 -14.957 4.826 1.00 0.00 C ATOM 581 C GLY A 41 3.205 -13.960 4.406 1.00 0.00 C ATOM 582 O GLY A 41 2.777 -13.949 3.251 1.00 0.00 O ATOM 0 H GLY A 41 5.844 -13.590 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.656 -15.464 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.816 -15.721 5.459 1.00 0.00 H new ATOM 586 N ASP A 42 2.777 -13.124 5.345 1.00 0.00 N ATOM 587 CA ASP A 42 1.756 -12.120 5.067 1.00 0.00 C ATOM 588 C ASP A 42 2.285 -11.057 4.109 1.00 0.00 C ATOM 589 O ASP A 42 3.435 -11.119 3.671 1.00 0.00 O ATOM 590 CB ASP A 42 1.288 -11.465 6.367 1.00 0.00 C ATOM 591 CG ASP A 42 0.547 -12.433 7.269 1.00 0.00 C ATOM 592 OD1 ASP A 42 0.418 -13.616 6.891 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.099 -12.007 8.353 1.00 0.00 O ATOM 0 H ASP A 42 3.121 -13.121 6.305 1.00 0.00 H new ATOM 0 HA ASP A 42 0.910 -12.619 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.151 -11.064 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.638 -10.622 6.132 1.00 0.00 H new ATOM 598 N PHE A 43 1.440 -10.083 3.787 1.00 0.00 N ATOM 599 CA PHE A 43 1.823 -9.009 2.880 1.00 0.00 C ATOM 600 C PHE A 43 1.284 -7.667 3.368 1.00 0.00 C ATOM 601 O PHE A 43 0.514 -7.606 4.327 1.00 0.00 O ATOM 602 CB PHE A 43 1.305 -9.294 1.469 1.00 0.00 C ATOM 603 CG PHE A 43 1.680 -10.656 0.958 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.227 -11.799 1.596 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.486 -10.793 -0.162 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.570 -13.054 1.128 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.832 -12.045 -0.634 1.00 0.00 C ATOM 608 CZ PHE A 43 2.375 -13.177 0.013 1.00 0.00 C ATOM 0 H PHE A 43 0.486 -10.016 4.141 1.00 0.00 H new ATOM 0 HA PHE A 43 2.912 -8.959 2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.219 -9.198 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.696 -8.538 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.598 -11.709 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.847 -9.912 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.209 -13.937 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.459 -12.138 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.647 -14.156 -0.353 1.00 0.00 H new ATOM 618 N VAL A 44 1.695 -6.592 2.703 1.00 0.00 N ATOM 619 CA VAL A 44 1.255 -5.252 3.068 1.00 0.00 C ATOM 620 C VAL A 44 0.951 -4.416 1.829 1.00 0.00 C ATOM 621 O VAL A 44 1.581 -4.584 0.784 1.00 0.00 O ATOM 622 CB VAL A 44 2.314 -4.524 3.917 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.902 -3.081 4.166 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.540 -5.258 5.231 1.00 0.00 C ATOM 0 H VAL A 44 2.333 -6.624 1.908 1.00 0.00 H new ATOM 0 HA VAL A 44 0.345 -5.368 3.657 1.00 0.00 H new ATOM 0 HB VAL A 44 3.254 -4.517 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.663 -2.584 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.797 -2.563 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.950 -3.061 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.291 -4.730 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.605 -5.299 5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.886 -6.271 5.027 1.00 0.00 H new ATOM 634 N LEU A 45 -0.018 -3.516 1.952 1.00 0.00 N ATOM 635 CA LEU A 45 -0.406 -2.652 0.843 1.00 0.00 C ATOM 636 C LEU A 45 -0.268 -1.182 1.223 1.00 0.00 C ATOM 637 O LEU A 45 -0.885 -0.718 2.182 1.00 0.00 O ATOM 638 CB LEU A 45 -1.846 -2.949 0.420 1.00 0.00 C ATOM 639 CG LEU A 45 -2.465 -1.974 -0.583 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.780 -2.095 -1.936 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.960 -2.224 -0.716 1.00 0.00 C ATOM 0 H LEU A 45 -0.550 -3.365 2.809 1.00 0.00 H new ATOM 0 HA LEU A 45 0.262 -2.855 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.878 -3.950 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.470 -2.965 1.313 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.318 -0.959 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.233 -1.394 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.720 -1.866 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.896 -3.111 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.384 -1.521 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.129 -3.243 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.440 -2.087 0.253 1.00 0.00 H new ATOM 653 N SER A 46 0.545 -0.454 0.463 1.00 0.00 N ATOM 654 CA SER A 46 0.764 0.965 0.721 1.00 0.00 C ATOM 655 C SER A 46 0.177 1.818 -0.399 1.00 0.00 C ATOM 656 O SER A 46 0.177 1.420 -1.564 1.00 0.00 O ATOM 657 CB SER A 46 2.260 1.252 0.865 1.00 0.00 C ATOM 658 OG SER A 46 2.857 0.385 1.814 1.00 0.00 O ATOM 0 H SER A 46 1.062 -0.823 -0.335 1.00 0.00 H new ATOM 0 HA SER A 46 0.259 1.222 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.751 1.132 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.407 2.288 1.171 1.00 0.00 H new ATOM 0 HG SER A 46 3.613 0.839 2.241 1.00 0.00 H new ATOM 664 N VAL A 47 -0.325 2.995 -0.036 1.00 0.00 N ATOM 665 CA VAL A 47 -0.915 3.907 -1.009 1.00 0.00 C ATOM 666 C VAL A 47 -0.719 5.359 -0.590 1.00 0.00 C ATOM 667 O VAL A 47 -0.946 5.719 0.566 1.00 0.00 O ATOM 668 CB VAL A 47 -2.420 3.634 -1.192 1.00 0.00 C ATOM 669 CG1 VAL A 47 -3.029 4.630 -2.167 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.650 2.206 -1.662 1.00 0.00 C ATOM 0 H VAL A 47 -0.335 3.339 0.924 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.404 3.734 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.913 3.758 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.092 4.421 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.898 5.642 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.534 4.542 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.719 2.031 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.144 2.051 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.252 1.511 -0.923 1.00 0.00 H new ATOM 680 N LEU A 48 -0.299 6.191 -1.537 1.00 0.00 N ATOM 681 CA LEU A 48 -0.073 7.606 -1.267 1.00 0.00 C ATOM 682 C LEU A 48 -1.340 8.417 -1.519 1.00 0.00 C ATOM 683 O LEU A 48 -1.638 8.785 -2.656 1.00 0.00 O ATOM 684 CB LEU A 48 1.067 8.136 -2.138 1.00 0.00 C ATOM 685 CG LEU A 48 1.673 9.474 -1.712 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.355 9.344 -0.359 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.655 9.974 -2.760 1.00 0.00 C ATOM 0 H LEU A 48 -0.108 5.910 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 48 0.201 7.711 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.861 7.390 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.701 8.235 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 48 0.868 10.203 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.780 10.306 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.625 9.033 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.149 8.600 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.076 10.927 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.457 9.246 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.137 10.107 -3.710 1.00 0.00 H new ATOM 699 N SER A 49 -2.081 8.695 -0.451 1.00 0.00 N ATOM 700 CA SER A 49 -3.316 9.462 -0.556 1.00 0.00 C ATOM 701 C SER A 49 -3.046 10.853 -1.124 1.00 0.00 C ATOM 702 O SER A 49 -1.935 11.371 -1.021 1.00 0.00 O ATOM 703 CB SER A 49 -3.986 9.580 0.814 1.00 0.00 C ATOM 704 OG SER A 49 -3.080 10.076 1.784 1.00 0.00 O ATOM 0 H SER A 49 -1.847 8.400 0.497 1.00 0.00 H new ATOM 0 HA SER A 49 -3.985 8.935 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.848 10.243 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.359 8.604 1.125 1.00 0.00 H new ATOM 0 HG SER A 49 -3.425 10.915 2.154 1.00 0.00 H new ATOM 710 N ASP A 50 -4.070 11.449 -1.723 1.00 0.00 N ATOM 711 CA ASP A 50 -3.945 12.780 -2.307 1.00 0.00 C ATOM 712 C ASP A 50 -3.960 13.852 -1.223 1.00 0.00 C ATOM 713 O ASP A 50 -3.888 15.045 -1.516 1.00 0.00 O ATOM 714 CB ASP A 50 -5.076 13.030 -3.305 1.00 0.00 C ATOM 715 CG ASP A 50 -5.238 14.500 -3.641 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.235 15.133 -4.028 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.369 15.016 -3.516 1.00 0.00 O ATOM 0 H ASP A 50 -4.996 11.032 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.991 12.832 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.880 12.471 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.011 12.649 -2.893 1.00 0.00 H new ATOM 722 N GLN A 51 -4.056 13.419 0.029 1.00 0.00 N ATOM 723 CA GLN A 51 -4.082 14.343 1.157 1.00 0.00 C ATOM 724 C GLN A 51 -2.670 14.637 1.654 1.00 0.00 C ATOM 725 O GLN A 51 -1.958 13.754 2.133 1.00 0.00 O ATOM 726 CB GLN A 51 -4.926 13.768 2.296 1.00 0.00 C ATOM 727 CG GLN A 51 -6.324 13.354 1.867 1.00 0.00 C ATOM 728 CD GLN A 51 -6.932 12.311 2.785 1.00 0.00 C ATOM 729 OE1 GLN A 51 -6.655 12.287 3.984 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.764 11.443 2.225 1.00 0.00 N ATOM 0 H GLN A 51 -4.117 12.434 0.289 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.530 15.277 0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.413 12.903 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.003 14.510 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.968 14.233 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.287 12.961 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.965 11.500 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.203 10.718 2.793 1.00 0.00 H new ATOM 739 N PRO A 52 -2.253 15.906 1.536 1.00 0.00 N ATOM 740 CA PRO A 52 -0.922 16.346 1.966 1.00 0.00 C ATOM 741 C PRO A 52 -0.772 16.334 3.484 1.00 0.00 C ATOM 742 O PRO A 52 -1.709 16.656 4.214 1.00 0.00 O ATOM 743 CB PRO A 52 -0.830 17.776 1.431 1.00 0.00 C ATOM 744 CG PRO A 52 -2.244 18.232 1.323 1.00 0.00 C ATOM 745 CD PRO A 52 -3.048 17.010 0.972 1.00 0.00 C ATOM 0 HA PRO A 52 -0.136 15.688 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.259 18.415 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.330 17.805 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.586 18.668 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.349 19.001 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.047 17.048 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.172 16.906 -0.106 1.00 0.00 H new ATOM 753 N LYS A 53 0.414 15.961 3.954 1.00 0.00 N ATOM 754 CA LYS A 53 0.690 15.909 5.385 1.00 0.00 C ATOM 755 C LYS A 53 0.266 17.205 6.067 1.00 0.00 C ATOM 756 O LYS A 53 -0.441 17.185 7.075 1.00 0.00 O ATOM 757 CB LYS A 53 2.178 15.655 5.629 1.00 0.00 C ATOM 758 CG LYS A 53 2.536 14.181 5.723 1.00 0.00 C ATOM 759 CD LYS A 53 3.817 13.967 6.513 1.00 0.00 C ATOM 760 CE LYS A 53 3.543 13.886 8.007 1.00 0.00 C ATOM 761 NZ LYS A 53 4.689 13.288 8.748 1.00 0.00 N ATOM 0 H LYS A 53 1.200 15.690 3.364 1.00 0.00 H new ATOM 0 HA LYS A 53 0.113 15.088 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.753 16.109 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.476 16.152 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.720 13.637 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.653 13.769 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.302 13.049 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.510 14.784 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.341 14.885 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.647 13.290 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.464 13.250 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.866 12.325 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.538 13.871 8.603 1.00 0.00 H new ATOM 775 N ALA A 54 0.701 18.332 5.511 1.00 0.00 N ATOM 776 CA ALA A 54 0.363 19.637 6.065 1.00 0.00 C ATOM 777 C ALA A 54 -0.379 20.492 5.043 1.00 0.00 C ATOM 778 O ALA A 54 -1.440 21.042 5.333 1.00 0.00 O ATOM 779 CB ALA A 54 1.621 20.350 6.539 1.00 0.00 C ATOM 0 H ALA A 54 1.288 18.367 4.678 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.298 19.483 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.354 21.323 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.110 19.752 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.301 20.486 5.698 1.00 0.00 H new ATOM 785 N GLY A 55 0.188 20.599 3.845 1.00 0.00 N ATOM 786 CA GLY A 55 -0.434 21.389 2.798 1.00 0.00 C ATOM 787 C GLY A 55 0.338 21.335 1.495 1.00 0.00 C ATOM 788 O GLY A 55 0.951 20.323 1.154 1.00 0.00 O ATOM 0 H GLY A 55 1.066 20.153 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.449 21.029 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.513 22.425 3.127 1.00 0.00 H new ATOM 792 N PRO A 56 0.312 22.444 0.740 1.00 0.00 N ATOM 793 CA PRO A 56 1.009 22.543 -0.545 1.00 0.00 C ATOM 794 C PRO A 56 2.525 22.570 -0.383 1.00 0.00 C ATOM 795 O PRO A 56 3.123 23.633 -0.223 1.00 0.00 O ATOM 796 CB PRO A 56 0.509 23.871 -1.119 1.00 0.00 C ATOM 797 CG PRO A 56 0.115 24.673 0.073 1.00 0.00 C ATOM 798 CD PRO A 56 -0.398 23.686 1.085 1.00 0.00 C ATOM 0 HA PRO A 56 0.807 21.684 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.288 24.372 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.336 23.719 -1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.965 25.230 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.653 25.403 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.179 24.005 2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.479 23.564 1.015 1.00 0.00 H new ATOM 806 N GLY A 57 3.142 21.394 -0.425 1.00 0.00 N ATOM 807 CA GLY A 57 4.583 21.306 -0.281 1.00 0.00 C ATOM 808 C GLY A 57 5.017 20.063 0.471 1.00 0.00 C ATOM 809 O GLY A 57 6.085 19.511 0.210 1.00 0.00 O ATOM 0 H GLY A 57 2.669 20.500 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.044 21.309 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.947 22.190 0.243 1.00 0.00 H new ATOM 813 N SER A 58 4.186 19.623 1.411 1.00 0.00 N ATOM 814 CA SER A 58 4.490 18.440 2.208 1.00 0.00 C ATOM 815 C SER A 58 4.239 17.165 1.408 1.00 0.00 C ATOM 816 O SER A 58 3.419 17.129 0.490 1.00 0.00 O ATOM 817 CB SER A 58 3.648 18.429 3.484 1.00 0.00 C ATOM 818 OG SER A 58 2.335 17.963 3.226 1.00 0.00 O ATOM 0 H SER A 58 3.297 20.068 1.639 1.00 0.00 H new ATOM 0 HA SER A 58 5.545 18.476 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.123 17.793 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.604 19.434 3.903 1.00 0.00 H new ATOM 0 HG SER A 58 1.902 18.551 2.572 1.00 0.00 H new ATOM 824 N PRO A 59 4.962 16.092 1.763 1.00 0.00 N ATOM 825 CA PRO A 59 4.835 14.795 1.093 1.00 0.00 C ATOM 826 C PRO A 59 3.501 14.117 1.389 1.00 0.00 C ATOM 827 O PRO A 59 3.191 13.810 2.540 1.00 0.00 O ATOM 828 CB PRO A 59 5.991 13.980 1.677 1.00 0.00 C ATOM 829 CG PRO A 59 6.257 14.599 3.006 1.00 0.00 C ATOM 830 CD PRO A 59 5.957 16.063 2.848 1.00 0.00 C ATOM 0 HA PRO A 59 4.869 14.892 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.723 12.928 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.871 14.025 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.629 14.153 3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.292 14.443 3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.561 16.494 3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.851 16.631 2.589 1.00 0.00 H new ATOM 838 N LEU A 60 2.715 13.887 0.343 1.00 0.00 N ATOM 839 CA LEU A 60 1.414 13.244 0.490 1.00 0.00 C ATOM 840 C LEU A 60 1.446 12.199 1.600 1.00 0.00 C ATOM 841 O LEU A 60 2.489 11.608 1.881 1.00 0.00 O ATOM 842 CB LEU A 60 0.992 12.592 -0.828 1.00 0.00 C ATOM 843 CG LEU A 60 0.410 13.531 -1.885 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.043 12.758 -3.142 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.803 14.266 -1.335 1.00 0.00 C ATOM 0 H LEU A 60 2.956 14.136 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 60 0.686 14.010 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.859 12.089 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.253 11.821 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 60 1.169 14.268 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.370 13.443 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.934 12.279 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.699 11.998 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.204 14.930 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.566 13.543 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.509 14.852 -0.464 1.00 0.00 H new ATOM 857 N ARG A 61 0.296 11.974 2.227 1.00 0.00 N ATOM 858 CA ARG A 61 0.192 10.999 3.306 1.00 0.00 C ATOM 859 C ARG A 61 0.258 9.575 2.761 1.00 0.00 C ATOM 860 O ARG A 61 -0.228 9.296 1.665 1.00 0.00 O ATOM 861 CB ARG A 61 -1.112 11.199 4.080 1.00 0.00 C ATOM 862 CG ARG A 61 -1.018 10.809 5.546 1.00 0.00 C ATOM 863 CD ARG A 61 -0.577 11.982 6.407 1.00 0.00 C ATOM 864 NE ARG A 61 -1.713 12.762 6.893 1.00 0.00 N ATOM 865 CZ ARG A 61 -2.495 12.375 7.894 1.00 0.00 C ATOM 866 NH1 ARG A 61 -2.267 11.225 8.512 1.00 0.00 N ATOM 867 NH2 ARG A 61 -3.510 13.140 8.278 1.00 0.00 N ATOM 0 H ARG A 61 -0.577 12.454 2.006 1.00 0.00 H new ATOM 0 HA ARG A 61 1.034 11.151 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.409 12.245 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.899 10.612 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.987 10.447 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.312 9.987 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.001 11.613 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.085 12.627 5.829 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.916 13.652 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.489 10.634 8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.870 10.931 9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.689 14.025 7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.111 12.842 9.047 1.00 0.00 H new ATOM 881 N VAL A 62 0.864 8.679 3.534 1.00 0.00 N ATOM 882 CA VAL A 62 0.995 7.284 3.128 1.00 0.00 C ATOM 883 C VAL A 62 0.135 6.377 4.002 1.00 0.00 C ATOM 884 O VAL A 62 0.247 6.387 5.227 1.00 0.00 O ATOM 885 CB VAL A 62 2.459 6.813 3.201 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.596 5.405 2.640 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.367 7.782 2.460 1.00 0.00 C ATOM 0 H VAL A 62 1.272 8.894 4.444 1.00 0.00 H new ATOM 0 HA VAL A 62 0.653 7.220 2.095 1.00 0.00 H new ATOM 0 HB VAL A 62 2.764 6.792 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.638 5.089 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.975 4.721 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.273 5.395 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.398 7.434 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.064 7.837 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.290 8.771 2.912 1.00 0.00 H new ATOM 897 N THR A 63 -0.723 5.588 3.360 1.00 0.00 N ATOM 898 CA THR A 63 -1.602 4.674 4.078 1.00 0.00 C ATOM 899 C THR A 63 -1.099 3.238 3.980 1.00 0.00 C ATOM 900 O THR A 63 -0.995 2.679 2.889 1.00 0.00 O ATOM 901 CB THR A 63 -3.043 4.739 3.537 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.535 6.081 3.613 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.958 3.813 4.322 1.00 0.00 C ATOM 0 H THR A 63 -0.827 5.564 2.346 1.00 0.00 H new ATOM 0 HA THR A 63 -1.599 4.987 5.122 1.00 0.00 H new ATOM 0 HB THR A 63 -3.031 4.415 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.451 6.114 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.970 3.876 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.598 2.788 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.964 4.110 5.371 1.00 0.00 H new ATOM 911 N HIS A 64 -0.789 2.645 5.129 1.00 0.00 N ATOM 912 CA HIS A 64 -0.299 1.272 5.173 1.00 0.00 C ATOM 913 C HIS A 64 -1.380 0.325 5.684 1.00 0.00 C ATOM 914 O HIS A 64 -1.798 0.411 6.839 1.00 0.00 O ATOM 915 CB HIS A 64 0.940 1.179 6.064 1.00 0.00 C ATOM 916 CG HIS A 64 1.984 2.205 5.747 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.061 1.953 4.924 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.111 3.492 6.146 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.807 3.041 4.832 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.251 3.989 5.564 1.00 0.00 N ATOM 0 H HIS A 64 -0.868 3.094 6.041 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.031 0.975 4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.638 1.290 7.105 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.376 0.185 5.963 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.253 1.066 4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.440 4.029 6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.716 3.138 4.256 1.00 0.00 H new ATOM 929 N ILE A 65 -1.827 -0.577 4.817 1.00 0.00 N ATOM 930 CA ILE A 65 -2.859 -1.541 5.182 1.00 0.00 C ATOM 931 C ILE A 65 -2.321 -2.966 5.137 1.00 0.00 C ATOM 932 O ILE A 65 -1.897 -3.449 4.085 1.00 0.00 O ATOM 933 CB ILE A 65 -4.082 -1.435 4.251 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.592 0.007 4.205 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.182 -2.379 4.714 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.287 0.360 2.909 1.00 0.00 C ATOM 0 H ILE A 65 -1.491 -0.661 3.857 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.166 -1.304 6.201 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.781 -1.725 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.282 0.166 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.752 0.686 4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.040 -2.293 4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.812 -3.404 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.484 -2.117 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.622 1.396 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.593 0.233 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.147 -0.295 2.767 1.00 0.00 H new ATOM 948 N LYS A 66 -2.342 -3.638 6.283 1.00 0.00 N ATOM 949 CA LYS A 66 -1.860 -5.011 6.375 1.00 0.00 C ATOM 950 C LYS A 66 -2.709 -5.946 5.520 1.00 0.00 C ATOM 951 O LYS A 66 -3.922 -5.768 5.407 1.00 0.00 O ATOM 952 CB LYS A 66 -1.873 -5.482 7.831 1.00 0.00 C ATOM 953 CG LYS A 66 -0.971 -4.667 8.742 1.00 0.00 C ATOM 954 CD LYS A 66 -1.099 -5.106 10.191 1.00 0.00 C ATOM 955 CE LYS A 66 -2.417 -4.651 10.797 1.00 0.00 C ATOM 956 NZ LYS A 66 -2.457 -3.176 10.993 1.00 0.00 N ATOM 0 H LYS A 66 -2.688 -3.253 7.162 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.837 -5.035 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.894 -5.437 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.565 -6.527 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.065 -4.772 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.225 -3.611 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.025 -6.192 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.271 -4.698 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.239 -4.954 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.567 -5.149 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.076 -2.949 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.497 -2.825 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.826 -2.721 10.134 1.00 0.00 H new ATOM 970 N VAL A 67 -2.065 -6.942 4.921 1.00 0.00 N ATOM 971 CA VAL A 67 -2.763 -7.906 4.077 1.00 0.00 C ATOM 972 C VAL A 67 -2.678 -9.310 4.664 1.00 0.00 C ATOM 973 O VAL A 67 -1.624 -9.943 4.636 1.00 0.00 O ATOM 974 CB VAL A 67 -2.187 -7.922 2.648 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.908 -8.954 1.794 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.280 -6.539 2.021 1.00 0.00 C ATOM 0 H VAL A 67 -1.061 -7.103 5.004 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.807 -7.595 4.035 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.135 -8.201 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.488 -8.951 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.784 -9.943 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.969 -8.709 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.869 -6.569 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.324 -6.228 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.714 -5.828 2.623 1.00 0.00 H new ATOM 986 N MET A 68 -3.797 -9.792 5.194 1.00 0.00 N ATOM 987 CA MET A 68 -3.851 -11.124 5.786 1.00 0.00 C ATOM 988 C MET A 68 -3.865 -12.199 4.704 1.00 0.00 C ATOM 989 O MET A 68 -4.307 -11.956 3.580 1.00 0.00 O ATOM 990 CB MET A 68 -5.088 -11.261 6.675 1.00 0.00 C ATOM 991 CG MET A 68 -4.856 -10.825 8.113 1.00 0.00 C ATOM 992 SD MET A 68 -6.333 -10.985 9.134 1.00 0.00 S ATOM 993 CE MET A 68 -7.444 -9.849 8.304 1.00 0.00 C ATOM 0 H MET A 68 -4.679 -9.280 5.226 1.00 0.00 H new ATOM 0 HA MET A 68 -2.958 -11.260 6.396 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.898 -10.667 6.250 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.417 -12.300 6.668 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.054 -11.423 8.545 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.522 -9.788 8.125 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.940 -9.220 9.043 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.876 -9.222 7.617 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.192 -10.413 7.747 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.378 -13.386 5.050 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.335 -14.499 4.107 1.00 0.00 C ATOM 1005 C CYS A 69 -3.754 -15.800 4.783 1.00 0.00 C ATOM 1006 O CYS A 69 -3.154 -16.218 5.773 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.928 -14.643 3.523 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.700 -16.122 2.508 1.00 0.00 S ATOM 0 H CYS A 69 -3.008 -13.602 5.975 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.037 -14.288 3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.704 -13.763 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.207 -14.661 4.340 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.521 -15.774 1.268 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.788 -16.436 4.240 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.290 -17.688 4.793 1.00 0.00 C ATOM 1016 C GLU A 70 -5.107 -18.833 3.800 1.00 0.00 C ATOM 1017 O GLU A 70 -5.896 -18.992 2.869 1.00 0.00 O ATOM 1018 CB GLU A 70 -6.767 -17.552 5.166 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.526 -16.562 4.297 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.872 -16.186 4.882 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.722 -17.087 5.043 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.078 -14.990 5.179 1.00 0.00 O ATOM 0 H GLU A 70 -5.294 -16.105 3.418 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.716 -17.914 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.244 -18.529 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.843 -17.241 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.925 -15.662 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.672 -16.991 3.306 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.059 -19.626 4.005 1.00 0.00 N ATOM 1030 CA GLY A 71 -3.791 -20.744 3.120 1.00 0.00 C ATOM 1031 C GLY A 71 -3.207 -20.304 1.792 1.00 0.00 C ATOM 1032 O GLY A 71 -2.186 -20.831 1.350 1.00 0.00 O ATOM 0 H GLY A 71 -3.391 -19.514 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.100 -21.432 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.716 -21.293 2.943 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.858 -19.338 1.152 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.382 -18.846 -0.129 1.00 0.00 C ATOM 1038 C GLY A 72 -4.093 -17.580 -0.563 1.00 0.00 C ATOM 1039 O GLY A 72 -3.519 -16.748 -1.267 1.00 0.00 O ATOM 0 H GLY A 72 -4.706 -18.887 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.311 -18.654 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.524 -19.617 -0.886 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.346 -17.431 -0.144 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.135 -16.258 -0.496 1.00 0.00 C ATOM 1045 C ARG A 73 -5.807 -15.085 0.424 1.00 0.00 C ATOM 1046 O ARG A 73 -5.453 -15.276 1.587 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.629 -16.580 -0.416 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.078 -17.055 0.955 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.283 -17.976 0.859 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.792 -18.351 2.176 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.041 -18.745 2.396 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.905 -18.816 1.391 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.430 -19.069 3.623 1.00 0.00 N ATOM 0 H ARG A 73 -5.836 -18.109 0.440 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.884 -15.976 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.198 -15.691 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.866 -17.348 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.258 -17.578 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.325 -16.194 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.072 -17.482 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.009 -18.875 0.307 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.153 -18.308 2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.610 -18.568 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.864 -19.119 1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.769 -19.015 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.390 -19.371 3.791 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.928 -13.873 -0.106 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.641 -12.669 0.665 1.00 0.00 C ATOM 1069 C TYR A 74 -6.928 -11.939 1.034 1.00 0.00 C ATOM 1070 O TYR A 74 -7.927 -12.016 0.317 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.721 -11.738 -0.125 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.390 -12.361 -0.481 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.602 -12.967 0.490 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.918 -12.342 -1.788 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.386 -13.538 0.169 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.703 -12.910 -2.118 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.940 -13.507 -1.135 1.00 0.00 C ATOM 1078 OH TYR A 74 0.271 -14.073 -1.460 1.00 0.00 O ATOM 0 H TYR A 74 -6.223 -13.698 -1.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.139 -12.969 1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.227 -11.433 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.545 -10.834 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.946 -12.992 1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.512 -11.875 -2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.787 -14.007 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.352 -12.887 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 74 0.906 -13.930 -0.727 1.00 0.00 H new ATOM 1088 N THR A 75 -6.898 -11.229 2.156 1.00 0.00 N ATOM 1089 CA THR A 75 -8.061 -10.483 2.622 1.00 0.00 C ATOM 1090 C THR A 75 -7.657 -9.393 3.609 1.00 0.00 C ATOM 1091 O THR A 75 -6.641 -9.509 4.295 1.00 0.00 O ATOM 1092 CB THR A 75 -9.091 -11.411 3.293 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.372 -10.773 3.336 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.653 -11.776 4.704 1.00 0.00 C ATOM 0 H THR A 75 -6.080 -11.154 2.761 1.00 0.00 H new ATOM 0 HA THR A 75 -8.514 -10.023 1.744 1.00 0.00 H new ATOM 0 HB THR A 75 -9.161 -12.325 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.666 -10.691 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.396 -12.432 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.692 -12.289 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.557 -10.869 5.301 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.460 -8.337 3.676 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.187 -7.226 4.580 1.00 0.00 C ATOM 1104 C VAL A 76 -9.306 -7.063 5.603 1.00 0.00 C ATOM 1105 O VAL A 76 -10.234 -6.280 5.403 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.012 -5.904 3.810 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.734 -5.930 2.986 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.222 -5.641 2.925 1.00 0.00 C ATOM 0 H VAL A 76 -9.305 -8.227 3.115 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.257 -7.460 5.097 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.933 -5.091 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.628 -4.987 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.878 -6.070 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.779 -6.752 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.083 -4.703 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.334 -6.456 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.117 -5.576 3.543 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.210 -7.806 6.702 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.221 -7.728 7.740 1.00 0.00 C ATOM 1120 C GLY A 77 -11.496 -8.455 7.363 1.00 0.00 C ATOM 1121 O GLY A 77 -11.876 -9.432 8.009 1.00 0.00 O ATOM 0 H GLY A 77 -8.451 -8.460 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.824 -8.152 8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.449 -6.682 7.943 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.159 -7.979 6.315 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.394 -8.601 5.872 1.00 0.00 C ATOM 1127 C GLY A 78 -13.222 -10.076 5.568 1.00 0.00 C ATOM 1128 O GLY A 78 -12.147 -10.511 5.154 1.00 0.00 O ATOM 0 H GLY A 78 -11.864 -7.173 5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.156 -8.478 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.756 -8.089 4.980 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.284 -10.848 5.774 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.247 -12.284 5.520 1.00 0.00 C ATOM 1134 C LEU A 79 -13.989 -12.570 4.044 1.00 0.00 C ATOM 1135 O LEU A 79 -13.662 -13.694 3.668 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.561 -12.934 5.956 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.739 -13.144 7.460 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.189 -13.471 7.785 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.817 -14.248 7.957 1.00 0.00 C ATOM 0 H LEU A 79 -15.181 -10.503 6.116 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.429 -12.709 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.385 -12.318 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.646 -13.902 5.462 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.473 -12.219 7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.297 -13.617 8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.828 -12.648 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.482 -14.382 7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.957 -14.384 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.052 -15.178 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.781 -13.974 7.758 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.139 -11.543 3.213 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.921 -11.684 1.778 1.00 0.00 C ATOM 1153 C GLU A 80 -12.557 -12.304 1.493 1.00 0.00 C ATOM 1154 O GLU A 80 -11.832 -12.687 2.411 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.030 -10.323 1.087 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.443 -9.975 0.648 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.469 -9.000 -0.513 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.861 -7.915 -0.391 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.098 -9.320 -1.542 1.00 0.00 O ATOM 0 H GLU A 80 -14.410 -10.605 3.509 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.691 -12.347 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.669 -9.550 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.375 -10.314 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.966 -10.888 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.986 -9.546 1.490 1.00 0.00 H new ATOM 1166 N THR A 81 -12.213 -12.400 0.213 1.00 0.00 N ATOM 1167 CA THR A 81 -10.937 -12.974 -0.196 1.00 0.00 C ATOM 1168 C THR A 81 -10.592 -12.587 -1.628 1.00 0.00 C ATOM 1169 O THR A 81 -11.396 -11.968 -2.325 1.00 0.00 O ATOM 1170 CB THR A 81 -10.950 -14.511 -0.080 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.043 -15.049 -0.833 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.066 -14.943 1.374 1.00 0.00 C ATOM 0 H THR A 81 -12.801 -12.087 -0.559 1.00 0.00 H new ATOM 0 HA THR A 81 -10.180 -12.572 0.477 1.00 0.00 H new ATOM 0 HB THR A 81 -10.011 -14.892 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.044 -16.026 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.073 -16.032 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.217 -14.556 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.991 -14.552 1.797 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.391 -12.954 -2.063 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.940 -12.644 -3.415 1.00 0.00 C ATOM 1182 C PHE A 82 -7.833 -13.599 -3.851 1.00 0.00 C ATOM 1183 O PHE A 82 -6.895 -13.865 -3.099 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.441 -11.199 -3.490 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.456 -10.190 -3.035 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.616 -9.908 -1.688 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.251 -9.525 -3.953 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.550 -8.981 -1.266 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.186 -8.595 -3.538 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.335 -8.323 -2.193 1.00 0.00 C ATOM 0 H PHE A 82 -8.713 -13.466 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.787 -12.764 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.544 -11.101 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.153 -10.975 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.004 -10.419 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.139 -9.735 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.666 -8.771 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.799 -8.082 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.064 -7.597 -1.866 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.950 -14.113 -5.072 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.959 -15.039 -5.609 1.00 0.00 C ATOM 1202 C ASP A 83 -5.556 -14.663 -5.145 1.00 0.00 C ATOM 1203 O ASP A 83 -4.824 -15.497 -4.614 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.019 -15.050 -7.138 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.295 -15.677 -7.663 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -9.308 -14.955 -7.776 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.282 -16.890 -7.960 1.00 0.00 O ATOM 0 H ASP A 83 -8.720 -13.904 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.189 -16.037 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.940 -14.028 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.161 -15.598 -7.528 1.00 0.00 H new ATOM 1212 N SER A 84 -5.187 -13.403 -5.351 1.00 0.00 N ATOM 1213 CA SER A 84 -3.870 -12.918 -4.958 1.00 0.00 C ATOM 1214 C SER A 84 -3.836 -11.393 -4.936 1.00 0.00 C ATOM 1215 O SER A 84 -4.853 -10.734 -5.158 1.00 0.00 O ATOM 1216 CB SER A 84 -2.802 -13.448 -5.915 1.00 0.00 C ATOM 1217 OG SER A 84 -2.290 -14.693 -5.469 1.00 0.00 O ATOM 0 H SER A 84 -5.782 -12.699 -5.788 1.00 0.00 H new ATOM 0 HA SER A 84 -3.661 -13.283 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.227 -13.562 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.990 -12.725 -5.995 1.00 0.00 H new ATOM 0 HG SER A 84 -3.017 -15.228 -5.088 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.660 -10.837 -4.666 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.492 -9.388 -4.614 1.00 0.00 C ATOM 1225 C LEU A 85 -3.124 -8.723 -5.833 1.00 0.00 C ATOM 1226 O LEU A 85 -3.663 -7.621 -5.742 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.008 -9.030 -4.535 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.419 -8.913 -3.128 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.245 -7.956 -2.282 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.342 -10.282 -2.467 1.00 0.00 C ATOM 0 H LEU A 85 -1.809 -11.367 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.996 -9.020 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.443 -9.785 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.856 -8.082 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 85 0.592 -8.514 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.811 -7.885 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.249 -6.970 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.268 -8.326 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.079 -10.180 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.342 -10.709 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.292 -10.938 -3.063 1.00 0.00 H new ATOM 1242 N THR A 86 -3.053 -9.402 -6.973 1.00 0.00 N ATOM 1243 CA THR A 86 -3.618 -8.879 -8.211 1.00 0.00 C ATOM 1244 C THR A 86 -5.131 -8.724 -8.103 1.00 0.00 C ATOM 1245 O THR A 86 -5.667 -7.630 -8.274 1.00 0.00 O ATOM 1246 CB THR A 86 -3.291 -9.790 -9.409 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.872 -9.937 -9.539 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.868 -9.220 -10.695 1.00 0.00 C ATOM 0 H THR A 86 -2.610 -10.316 -7.065 1.00 0.00 H new ATOM 0 HA THR A 86 -3.166 -7.901 -8.375 1.00 0.00 H new ATOM 0 HB THR A 86 -3.742 -10.766 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.430 -9.109 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.624 -9.880 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.951 -9.137 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.443 -8.233 -10.878 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.815 -9.828 -7.817 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.266 -9.815 -7.685 1.00 0.00 C ATOM 1258 C ASP A 87 -7.701 -8.884 -6.557 1.00 0.00 C ATOM 1259 O ASP A 87 -8.706 -8.179 -6.672 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.789 -11.229 -7.423 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.258 -11.375 -7.766 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.588 -11.390 -8.970 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.078 -11.477 -6.829 1.00 0.00 O ATOM 0 H ASP A 87 -5.387 -10.742 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.687 -9.447 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.209 -11.942 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.637 -11.481 -6.373 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.939 -8.883 -5.470 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.245 -8.038 -4.320 1.00 0.00 C ATOM 1270 C LEU A 88 -7.092 -6.563 -4.674 1.00 0.00 C ATOM 1271 O LEU A 88 -8.054 -5.796 -4.613 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.330 -8.391 -3.146 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.598 -7.641 -1.840 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.222 -8.503 -0.644 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.835 -6.325 -1.813 1.00 0.00 C ATOM 0 H LEU A 88 -6.104 -9.458 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.281 -8.218 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.416 -9.460 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.299 -8.203 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.664 -7.420 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.419 -7.954 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.814 -9.418 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.163 -8.756 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.038 -5.806 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.766 -6.522 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.153 -5.703 -2.649 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.878 -6.171 -5.045 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.600 -4.787 -5.412 1.00 0.00 C ATOM 1289 C VAL A 89 -6.538 -4.312 -6.516 1.00 0.00 C ATOM 1290 O VAL A 89 -7.236 -3.310 -6.362 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.144 -4.612 -5.881 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.880 -3.168 -6.278 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.177 -5.061 -4.796 1.00 0.00 C ATOM 0 H VAL A 89 -5.071 -6.792 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.761 -4.185 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.986 -5.239 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.846 -3.064 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.549 -2.886 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.056 -2.517 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.153 -4.930 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.334 -4.463 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.351 -6.112 -4.566 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.550 -5.038 -7.630 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.402 -4.690 -8.759 1.00 0.00 C ATOM 1305 C GLU A 90 -8.812 -4.343 -8.290 1.00 0.00 C ATOM 1306 O GLU A 90 -9.333 -3.269 -8.592 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.456 -5.845 -9.762 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.274 -5.879 -10.716 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.579 -6.635 -11.994 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.593 -6.311 -12.647 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.803 -7.549 -12.343 1.00 0.00 O ATOM 0 H GLU A 90 -5.979 -5.871 -7.774 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.974 -3.814 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.499 -6.787 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.377 -5.770 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.981 -4.858 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.423 -6.343 -10.218 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.427 -5.261 -7.551 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.777 -5.054 -7.039 1.00 0.00 C ATOM 1320 C HIS A 91 -10.837 -3.814 -6.152 1.00 0.00 C ATOM 1321 O HIS A 91 -11.902 -3.230 -5.955 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.241 -6.280 -6.253 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.524 -6.066 -5.511 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.722 -6.626 -5.901 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -12.793 -5.348 -4.395 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.671 -6.261 -5.058 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.134 -5.485 -4.135 1.00 0.00 N ATOM 0 H HIS A 91 -9.011 -6.156 -7.293 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.442 -4.904 -7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.364 -7.117 -6.941 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.463 -6.562 -5.543 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.084 -4.774 -3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.710 -6.549 -5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.634 -5.057 -3.356 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.686 -3.417 -5.619 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.608 -2.248 -4.751 1.00 0.00 C ATOM 1338 C PHE A 92 -9.247 -1.000 -5.552 1.00 0.00 C ATOM 1339 O PHE A 92 -9.330 0.120 -5.048 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.575 -2.474 -3.646 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.158 -3.058 -2.390 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.320 -2.536 -1.843 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.545 -4.127 -1.757 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.858 -3.070 -0.688 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.080 -4.666 -0.602 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.238 -4.137 -0.067 1.00 0.00 C ATOM 0 H PHE A 92 -8.794 -3.888 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.588 -2.098 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.796 -3.139 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.096 -1.524 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.810 -1.703 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.639 -4.544 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.763 -2.653 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.593 -5.500 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.658 -4.557 0.835 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.846 -1.203 -6.802 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.473 -0.095 -7.675 1.00 0.00 C ATOM 1358 C LYS A 93 -9.711 0.572 -8.267 1.00 0.00 C ATOM 1359 O LYS A 93 -9.641 1.690 -8.778 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.560 -0.591 -8.799 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.263 -1.205 -8.303 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.145 -1.045 -9.320 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.207 -2.123 -10.390 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.389 -1.770 -11.583 1.00 0.00 N ATOM 0 H LYS A 93 -8.771 -2.124 -7.234 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.936 0.642 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.098 -1.330 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.327 0.243 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.972 -0.734 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.417 -2.264 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.215 -0.063 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.181 -1.089 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.854 -3.067 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.243 -2.275 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.458 -2.531 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.741 -0.882 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.396 -1.650 -11.300 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.843 -0.122 -8.195 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.096 0.404 -8.722 1.00 0.00 C ATOM 1380 C LYS A 94 -13.027 0.828 -7.590 1.00 0.00 C ATOM 1381 O LYS A 94 -13.717 1.844 -7.686 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.786 -0.645 -9.596 1.00 0.00 C ATOM 1383 CG LYS A 94 -13.042 -1.960 -8.880 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.573 -3.019 -9.832 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.486 -4.004 -9.117 1.00 0.00 C ATOM 1386 NZ LYS A 94 -13.729 -5.164 -8.569 1.00 0.00 N ATOM 0 H LYS A 94 -10.917 -1.049 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.866 1.280 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.735 -0.243 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.171 -0.834 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.118 -2.312 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.758 -1.803 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.119 -2.539 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.738 -3.556 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.006 -3.494 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.248 -4.362 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.220 -6.047 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.771 -5.175 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.667 -5.081 -7.534 1.00 0.00 H new ATOM 1400 N THR A 95 -13.039 0.045 -6.515 1.00 0.00 N ATOM 1401 CA THR A 95 -13.884 0.339 -5.365 1.00 0.00 C ATOM 1402 C THR A 95 -13.165 1.246 -4.372 1.00 0.00 C ATOM 1403 O THR A 95 -13.550 2.398 -4.176 1.00 0.00 O ATOM 1404 CB THR A 95 -14.319 -0.949 -4.643 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.174 -1.622 -4.108 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.062 -1.877 -5.592 1.00 0.00 C ATOM 0 H THR A 95 -12.473 -0.798 -6.418 1.00 0.00 H new ATOM 0 HA THR A 95 -14.769 0.850 -5.746 1.00 0.00 H new ATOM 0 HB THR A 95 -14.990 -0.674 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.765 -2.177 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.359 -2.780 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.949 -1.372 -5.974 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.410 -2.144 -6.424 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.116 0.718 -3.748 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.359 1.495 -2.783 1.00 0.00 C ATOM 1416 C GLY A 96 -11.527 0.982 -1.367 1.00 0.00 C ATOM 1417 O GLY A 96 -12.538 0.362 -1.040 1.00 0.00 O ATOM 0 H GLY A 96 -11.777 -0.233 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.303 1.473 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.678 2.536 -2.829 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.531 1.240 -0.525 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.574 0.799 0.865 1.00 0.00 C ATOM 1423 C ILE A 97 -11.018 1.930 1.786 1.00 0.00 C ATOM 1424 O ILE A 97 -10.520 3.051 1.693 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.201 0.279 1.332 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.781 -0.933 0.499 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.245 -0.076 2.810 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.282 -1.133 0.436 1.00 0.00 C ATOM 0 H ILE A 97 -9.686 1.751 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.298 -0.014 0.917 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.462 1.067 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.242 -1.828 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.167 -0.819 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.268 -0.442 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.505 0.810 3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.993 -0.851 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.057 -2.010 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.816 -0.254 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.892 -1.279 1.443 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.955 1.625 2.678 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.465 2.616 3.619 1.00 0.00 C ATOM 1442 C GLU A 98 -11.886 2.392 5.012 1.00 0.00 C ATOM 1443 O GLU A 98 -12.217 1.415 5.683 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.993 2.560 3.674 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.597 3.466 4.734 1.00 0.00 C ATOM 1446 CD GLU A 98 -16.077 3.716 4.514 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.758 2.813 3.984 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.552 4.814 4.870 1.00 0.00 O ATOM 0 H GLU A 98 -12.376 0.701 2.769 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.157 3.602 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.394 2.838 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.304 1.533 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.450 3.017 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.068 4.419 4.737 1.00 0.00 H new ATOM 1455 N GLU A 99 -11.020 3.304 5.440 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.393 3.205 6.755 1.00 0.00 C ATOM 1457 C GLU A 99 -11.356 3.651 7.851 1.00 0.00 C ATOM 1458 O GLU A 99 -12.120 4.599 7.673 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.120 4.053 6.802 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.180 3.805 5.635 1.00 0.00 C ATOM 1461 CD GLU A 99 -7.269 4.985 5.359 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -7.022 5.775 6.294 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.804 5.120 4.208 1.00 0.00 O ATOM 0 H GLU A 99 -10.736 4.119 4.897 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.132 2.161 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.396 5.107 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.591 3.848 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.574 2.923 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.765 3.586 4.742 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.312 2.961 8.985 1.00 0.00 N ATOM 1471 CA ALA A 100 -12.179 3.285 10.111 1.00 0.00 C ATOM 1472 C ALA A 100 -12.285 4.794 10.305 1.00 0.00 C ATOM 1473 O ALA A 100 -13.377 5.360 10.262 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.665 2.623 11.381 1.00 0.00 C ATOM 0 H ALA A 100 -10.685 2.173 9.149 1.00 0.00 H new ATOM 0 HA ALA A 100 -13.176 2.902 9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.322 2.874 12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.647 1.542 11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.657 2.979 11.595 1.00 0.00 H new ATOM 1480 N SER A 101 -11.143 5.439 10.521 1.00 0.00 N ATOM 1481 CA SER A 101 -11.108 6.883 10.726 1.00 0.00 C ATOM 1482 C SER A 101 -12.103 7.587 9.807 1.00 0.00 C ATOM 1483 O SER A 101 -12.801 8.511 10.221 1.00 0.00 O ATOM 1484 CB SER A 101 -9.698 7.421 10.477 1.00 0.00 C ATOM 1485 OG SER A 101 -8.862 7.196 11.598 1.00 0.00 O ATOM 0 H SER A 101 -10.230 4.985 10.559 1.00 0.00 H new ATOM 0 HA SER A 101 -11.389 7.085 11.760 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.271 6.938 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.745 8.489 10.263 1.00 0.00 H new ATOM 0 HG SER A 101 -7.966 7.547 11.414 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.161 7.140 8.556 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.072 7.736 7.597 1.00 0.00 C ATOM 1493 C GLY A 102 -12.374 8.161 6.319 1.00 0.00 C ATOM 1494 O GLY A 102 -12.809 9.095 5.648 1.00 0.00 O ATOM 0 H GLY A 102 -11.593 6.376 8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.860 7.022 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.554 8.603 8.049 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.287 7.472 5.985 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.529 7.782 4.780 1.00 0.00 C ATOM 1500 C ALA A 103 -10.790 6.753 3.686 1.00 0.00 C ATOM 1501 O ALA A 103 -11.107 5.597 3.971 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.042 7.853 5.097 1.00 0.00 C ATOM 0 H ALA A 103 -10.913 6.697 6.532 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.859 8.754 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.487 8.085 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.865 8.631 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.708 6.893 5.491 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.655 7.178 2.435 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.878 6.292 1.299 1.00 0.00 C ATOM 1510 C PHE A 104 -9.666 6.282 0.371 1.00 0.00 C ATOM 1511 O PHE A 104 -9.439 7.228 -0.384 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.123 6.726 0.523 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.383 6.054 0.989 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.786 4.849 0.435 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.164 6.627 1.979 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.945 4.230 0.861 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.324 6.011 2.410 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.715 4.811 1.851 1.00 0.00 C ATOM 0 H PHE A 104 -10.392 8.131 2.182 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.030 5.283 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.241 7.806 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.976 6.510 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.188 4.389 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.863 7.566 2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.250 3.292 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.924 6.468 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.620 4.327 2.186 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.889 5.204 0.433 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.701 5.069 -0.400 1.00 0.00 C ATOM 1530 C VAL A 105 -8.074 4.729 -1.839 1.00 0.00 C ATOM 1531 O VAL A 105 -8.905 3.856 -2.085 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.754 3.983 0.143 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.545 3.824 -0.766 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.323 4.315 1.564 1.00 0.00 C ATOM 0 H VAL A 105 -9.062 4.412 1.052 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.189 6.031 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.291 3.034 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.888 3.052 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.876 3.537 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.004 4.769 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.654 3.537 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.804 5.274 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.202 4.372 2.207 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.454 5.425 -2.785 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.722 5.199 -4.201 1.00 0.00 C ATOM 1546 C TYR A 106 -6.452 4.780 -4.935 1.00 0.00 C ATOM 1547 O TYR A 106 -5.392 5.382 -4.761 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.301 6.462 -4.840 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.557 6.962 -4.162 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.514 6.074 -3.685 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.787 8.322 -3.999 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.662 6.527 -3.066 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.933 8.784 -3.380 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.868 7.882 -2.916 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.010 8.337 -2.299 1.00 0.00 O ATOM 0 H TYR A 106 -6.762 6.151 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.450 4.392 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.547 7.249 -4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.520 6.261 -5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.357 5.012 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.058 9.031 -4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.395 5.823 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.096 9.845 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.000 9.317 -2.273 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.568 3.743 -5.758 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.430 3.242 -6.522 1.00 0.00 C ATOM 1567 C LEU A 107 -5.626 3.489 -8.015 1.00 0.00 C ATOM 1568 O LEU A 107 -6.282 2.706 -8.703 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.235 1.748 -6.262 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.333 1.303 -4.803 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.769 0.956 -4.445 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.416 0.115 -4.545 1.00 0.00 C ATOM 0 H LEU A 107 -7.438 3.233 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.540 3.780 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.979 1.199 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.257 1.458 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.012 2.130 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.818 0.642 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.402 1.831 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.118 0.146 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.499 -0.188 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.707 -0.715 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.385 0.397 -4.760 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.050 4.580 -8.509 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.160 4.929 -9.920 1.00 0.00 C ATOM 1586 C ARG A 108 -4.012 4.321 -10.722 1.00 0.00 C ATOM 1587 O ARG A 108 -4.217 3.795 -11.815 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.167 6.449 -10.093 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.309 7.139 -9.364 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.734 8.414 -10.075 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.437 8.135 -11.325 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.728 7.826 -11.388 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.452 7.759 -10.280 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.297 7.586 -12.563 1.00 0.00 N ATOM 0 H ARG A 108 -4.503 5.237 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.099 4.523 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.221 6.852 -9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.230 6.685 -11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.159 6.460 -9.292 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.002 7.374 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.380 8.997 -9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.855 9.024 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.908 8.180 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.019 7.945 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.443 7.522 -10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.743 7.639 -13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.288 7.349 -12.611 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.805 4.399 -10.169 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.626 3.857 -10.834 1.00 0.00 C ATOM 1610 C GLN A 109 -0.623 3.326 -9.814 1.00 0.00 C ATOM 1611 O GLN A 109 -0.432 3.897 -8.740 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.968 4.929 -11.704 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.343 6.062 -10.906 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.354 7.117 -10.501 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.446 7.196 -11.065 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.995 7.936 -9.519 1.00 0.00 N ATOM 0 H GLN A 109 -2.619 4.831 -9.264 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.944 3.030 -11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.199 4.463 -12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.714 5.342 -12.383 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.129 5.654 -10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.445 6.527 -11.499 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.080 7.835 -9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.634 8.666 -9.204 1.00 0.00 H new ATOM 1625 N PRO A 110 0.032 2.207 -10.157 1.00 0.00 N ATOM 1626 CA PRO A 110 1.027 1.574 -9.285 1.00 0.00 C ATOM 1627 C PRO A 110 2.302 2.402 -9.165 1.00 0.00 C ATOM 1628 O PRO A 110 2.321 3.585 -9.508 1.00 0.00 O ATOM 1629 CB PRO A 110 1.317 0.244 -9.985 1.00 0.00 C ATOM 1630 CG PRO A 110 0.992 0.490 -11.417 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.146 1.474 -11.421 1.00 0.00 C ATOM 0 HA PRO A 110 0.663 1.463 -8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.359 -0.050 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.708 -0.561 -9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.855 0.889 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.709 -0.436 -11.917 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.098 2.140 -12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.112 0.971 -11.461 1.00 0.00 H new ATOM 1639 N TYR A 111 3.365 1.774 -8.676 1.00 0.00 N ATOM 1640 CA TYR A 111 4.645 2.452 -8.509 1.00 0.00 C ATOM 1641 C TYR A 111 5.803 1.537 -8.897 1.00 0.00 C ATOM 1642 O TYR A 111 5.793 0.344 -8.593 1.00 0.00 O ATOM 1643 CB TYR A 111 4.813 2.920 -7.062 1.00 0.00 C ATOM 1644 CG TYR A 111 6.131 3.611 -6.798 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.306 4.955 -7.103 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.202 2.920 -6.245 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.510 5.591 -6.864 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.408 3.547 -6.002 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.557 4.883 -6.313 1.00 0.00 C ATOM 1650 OH TYR A 111 9.758 5.511 -6.073 1.00 0.00 O ATOM 0 H TYR A 111 3.366 0.796 -8.388 1.00 0.00 H new ATOM 0 HA TYR A 111 4.656 3.320 -9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.999 3.601 -6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.724 2.060 -6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.488 5.512 -7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.089 1.874 -6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.630 6.636 -7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.230 2.995 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 111 9.650 6.156 -5.343 1.00 0.00 H new ATOM 1660 N TYR A 112 6.797 2.105 -9.569 1.00 0.00 N ATOM 1661 CA TYR A 112 7.961 1.343 -10.001 1.00 0.00 C ATOM 1662 C TYR A 112 9.252 1.991 -9.509 1.00 0.00 C ATOM 1663 O TYR A 112 9.241 3.112 -9.000 1.00 0.00 O ATOM 1664 CB TYR A 112 7.986 1.228 -11.526 1.00 0.00 C ATOM 1665 CG TYR A 112 6.643 0.880 -12.128 1.00 0.00 C ATOM 1666 CD1 TYR A 112 6.017 -0.324 -11.828 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.002 1.753 -12.998 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.791 -0.647 -12.377 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.775 1.439 -13.549 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.174 0.238 -13.236 1.00 0.00 C ATOM 1671 OH TYR A 112 2.953 -0.079 -13.785 1.00 0.00 O ATOM 0 H TYR A 112 6.820 3.092 -9.827 1.00 0.00 H new ATOM 0 HA TYR A 112 7.889 0.345 -9.569 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.330 2.172 -11.948 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.712 0.467 -11.813 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.497 -1.019 -11.155 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.471 2.693 -13.248 1.00 0.00 H new ATOM 0 HE1 TYR A 112 4.318 -1.587 -12.135 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.289 2.130 -14.221 1.00 0.00 H new ATOM 0 HH TYR A 112 2.656 0.652 -14.367 1.00 0.00 H new ATOM 1681 N SER A 113 10.363 1.277 -9.663 1.00 0.00 N ATOM 1682 CA SER A 113 11.661 1.780 -9.231 1.00 0.00 C ATOM 1683 C SER A 113 12.744 1.431 -10.247 1.00 0.00 C ATOM 1684 O SER A 113 12.781 0.320 -10.775 1.00 0.00 O ATOM 1685 CB SER A 113 12.026 1.203 -7.862 1.00 0.00 C ATOM 1686 OG SER A 113 13.272 1.706 -7.413 1.00 0.00 O ATOM 0 H SER A 113 10.390 0.348 -10.084 1.00 0.00 H new ATOM 0 HA SER A 113 11.595 2.865 -9.154 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.248 1.452 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.069 0.116 -7.922 1.00 0.00 H new ATOM 0 HG SER A 113 13.482 1.324 -6.535 1.00 0.00 H new ATOM 1692 N GLY A 114 13.625 2.389 -10.517 1.00 0.00 N ATOM 1693 CA GLY A 114 14.697 2.165 -11.469 1.00 0.00 C ATOM 1694 C GLY A 114 15.456 3.435 -11.798 1.00 0.00 C ATOM 1695 O GLY A 114 15.191 4.502 -11.245 1.00 0.00 O ATOM 0 H GLY A 114 13.615 3.317 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 114 15.389 1.426 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 114 14.283 1.745 -12.386 1.00 0.00 H new ATOM 1699 N PRO A 115 16.426 3.328 -12.719 1.00 0.00 N ATOM 1700 CA PRO A 115 17.246 4.468 -13.140 1.00 0.00 C ATOM 1701 C PRO A 115 16.452 5.485 -13.953 1.00 0.00 C ATOM 1702 O PRO A 115 15.820 5.138 -14.952 1.00 0.00 O ATOM 1703 CB PRO A 115 18.332 3.822 -14.005 1.00 0.00 C ATOM 1704 CG PRO A 115 17.716 2.563 -14.510 1.00 0.00 C ATOM 1705 CD PRO A 115 16.796 2.087 -13.420 1.00 0.00 C ATOM 0 HA PRO A 115 17.635 5.027 -12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 115 18.625 4.476 -14.826 1.00 0.00 H new ATOM 0 HB3 PRO A 115 19.231 3.617 -13.424 1.00 0.00 H new ATOM 0 HG2 PRO A 115 17.167 2.741 -15.435 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.479 1.816 -14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 115 15.921 1.579 -13.826 1.00 0.00 H new ATOM 0 HD3 PRO A 115 17.293 1.382 -12.754 1.00 0.00 H new ATOM 1713 N SER A 116 16.489 6.740 -13.520 1.00 0.00 N ATOM 1714 CA SER A 116 15.769 7.807 -14.206 1.00 0.00 C ATOM 1715 C SER A 116 16.610 9.079 -14.265 1.00 0.00 C ATOM 1716 O SER A 116 17.384 9.367 -13.353 1.00 0.00 O ATOM 1717 CB SER A 116 14.442 8.092 -13.500 1.00 0.00 C ATOM 1718 OG SER A 116 13.879 9.313 -13.947 1.00 0.00 O ATOM 0 H SER A 116 17.010 7.044 -12.697 1.00 0.00 H new ATOM 0 HA SER A 116 15.567 7.478 -15.225 1.00 0.00 H new ATOM 0 HB2 SER A 116 13.744 7.276 -13.687 1.00 0.00 H new ATOM 0 HB3 SER A 116 14.601 8.134 -12.423 1.00 0.00 H new ATOM 0 HG SER A 116 13.031 9.472 -13.482 1.00 0.00 H new ATOM 1724 N SER A 117 16.452 9.836 -15.346 1.00 0.00 N ATOM 1725 CA SER A 117 17.199 11.075 -15.529 1.00 0.00 C ATOM 1726 C SER A 117 16.391 12.081 -16.341 1.00 0.00 C ATOM 1727 O SER A 117 16.039 11.828 -17.493 1.00 0.00 O ATOM 1728 CB SER A 117 18.533 10.794 -16.223 1.00 0.00 C ATOM 1729 OG SER A 117 18.331 10.215 -17.501 1.00 0.00 O ATOM 0 H SER A 117 15.813 9.613 -16.109 1.00 0.00 H new ATOM 0 HA SER A 117 17.394 11.502 -14.545 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.096 11.722 -16.325 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.133 10.124 -15.607 1.00 0.00 H new ATOM 0 HG SER A 117 17.515 10.582 -17.901 1.00 0.00 H new ATOM 1735 N GLY A 118 16.100 13.228 -15.732 1.00 0.00 N ATOM 1736 CA GLY A 118 15.336 14.256 -16.413 1.00 0.00 C ATOM 1737 C GLY A 118 15.735 14.409 -17.867 1.00 0.00 C ATOM 1738 O GLY A 118 16.233 15.469 -18.244 1.00 0.00 O ATOM 0 H GLY A 118 16.380 13.462 -14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 118 14.275 14.014 -16.354 1.00 0.00 H new ATOM 0 HA3 GLY A 118 15.475 15.207 -15.900 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 7.761 11.388 20.869 1.00 0.00 N ATOM 1744 CA MET B 1 7.774 12.077 19.584 1.00 0.00 C ATOM 1745 C MET B 1 8.444 11.219 18.515 1.00 0.00 C ATOM 1746 O MET B 1 9.219 11.721 17.699 1.00 0.00 O ATOM 1747 CB MET B 1 8.500 13.417 19.708 1.00 0.00 C ATOM 1748 CG MET B 1 8.137 14.408 18.613 1.00 0.00 C ATOM 1749 SD MET B 1 6.404 14.903 18.670 1.00 0.00 S ATOM 1750 CE MET B 1 6.512 16.402 19.645 1.00 0.00 C ATOM 0 H1 MET B 1 7.426 12.038 21.608 1.00 0.00 H new ATOM 0 H2 MET B 1 7.125 10.567 20.816 1.00 0.00 H new ATOM 0 H3 MET B 1 8.723 11.067 21.101 1.00 0.00 H new ATOM 0 HA MET B 1 6.741 12.258 19.285 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.268 13.858 20.677 1.00 0.00 H new ATOM 0 HB3 MET B 1 9.576 13.242 19.686 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.767 15.293 18.706 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.352 13.964 17.641 1.00 0.00 H new ATOM 0 HE1 MET B 1 5.516 16.828 19.768 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.931 16.170 20.624 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.154 17.121 19.137 1.00 0.00 H new ATOM 1760 N ASP B 2 8.142 9.926 18.525 1.00 0.00 N ATOM 1761 CA ASP B 2 8.715 8.999 17.556 1.00 0.00 C ATOM 1762 C ASP B 2 7.801 7.796 17.349 1.00 0.00 C ATOM 1763 O ASP B 2 6.779 7.657 18.019 1.00 0.00 O ATOM 1764 CB ASP B 2 10.096 8.534 18.018 1.00 0.00 C ATOM 1765 CG ASP B 2 11.168 9.579 17.785 1.00 0.00 C ATOM 1766 OD1 ASP B 2 11.259 10.093 16.650 1.00 0.00 O ATOM 1767 OD2 ASP B 2 11.918 9.885 18.737 1.00 0.00 O ATOM 0 H ASP B 2 7.503 9.495 19.194 1.00 0.00 H new ATOM 0 HA ASP B 2 8.817 9.522 16.605 1.00 0.00 H new ATOM 0 HB2 ASP B 2 10.057 8.289 19.079 1.00 0.00 H new ATOM 0 HB3 ASP B 2 10.364 7.619 17.489 1.00 0.00 H new ATOM 1772 N ASN B 3 8.178 6.927 16.417 1.00 0.00 N ATOM 1773 CA ASN B 3 7.391 5.735 16.120 1.00 0.00 C ATOM 1774 C ASN B 3 8.254 4.664 15.460 1.00 0.00 C ATOM 1775 O ASN B 3 9.107 4.968 14.626 1.00 0.00 O ATOM 1776 CB ASN B 3 6.213 6.089 15.211 1.00 0.00 C ATOM 1777 CG ASN B 3 6.635 6.923 14.017 1.00 0.00 C ATOM 1778 OD1 ASN B 3 6.540 8.150 14.038 1.00 0.00 O ATOM 1779 ND2 ASN B 3 7.104 6.258 12.966 1.00 0.00 N ATOM 0 H ASN B 3 9.023 7.025 15.854 1.00 0.00 H new ATOM 0 HA ASN B 3 7.008 5.339 17.061 1.00 0.00 H new ATOM 0 HB2 ASN B 3 5.739 5.172 14.861 1.00 0.00 H new ATOM 0 HB3 ASN B 3 5.465 6.635 15.786 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.403 6.766 12.133 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.165 5.240 12.992 1.00 0.00 H new ATOM 1786 N GLN B 4 8.024 3.411 15.838 1.00 0.00 N ATOM 1787 CA GLN B 4 8.781 2.294 15.282 1.00 0.00 C ATOM 1788 C GLN B 4 8.065 1.700 14.075 1.00 0.00 C ATOM 1789 O GLN B 4 7.248 0.790 14.210 1.00 0.00 O ATOM 1790 CB GLN B 4 8.995 1.216 16.346 1.00 0.00 C ATOM 1791 CG GLN B 4 9.956 1.631 17.448 1.00 0.00 C ATOM 1792 CD GLN B 4 11.406 1.567 17.013 1.00 0.00 C ATOM 1793 OE1 GLN B 4 11.710 1.586 15.820 1.00 0.00 O ATOM 1794 NE2 GLN B 4 12.313 1.490 17.980 1.00 0.00 N ATOM 0 H GLN B 4 7.320 3.143 16.526 1.00 0.00 H new ATOM 0 HA GLN B 4 9.751 2.670 14.957 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.033 0.961 16.791 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.374 0.314 15.866 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.721 2.647 17.766 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.811 0.984 18.313 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.018 1.477 18.956 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.305 1.444 17.746 1.00 0.00 H new ATOM 1803 N GLY B 5 8.378 2.220 12.892 1.00 0.00 N ATOM 1804 CA GLY B 5 7.755 1.728 11.676 1.00 0.00 C ATOM 1805 C GLY B 5 6.790 2.729 11.073 1.00 0.00 C ATOM 1806 O GLY B 5 7.094 3.919 10.983 1.00 0.00 O ATOM 0 H GLY B 5 9.052 2.973 12.754 1.00 0.00 H new ATOM 0 HA2 GLY B 5 8.529 1.489 10.946 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.224 0.801 11.893 1.00 0.00 H new ATOM 1810 N VAL B 6 5.623 2.247 10.657 1.00 0.00 N ATOM 1811 CA VAL B 6 4.611 3.109 10.058 1.00 0.00 C ATOM 1812 C VAL B 6 3.211 2.711 10.514 1.00 0.00 C ATOM 1813 O VAL B 6 2.874 1.528 10.556 1.00 0.00 O ATOM 1814 CB VAL B 6 4.669 3.058 8.519 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.049 3.465 8.024 1.00 0.00 C ATOM 1816 CG2 VAL B 6 4.302 1.670 8.018 1.00 0.00 C ATOM 0 H VAL B 6 5.355 1.265 10.724 1.00 0.00 H new ATOM 0 HA VAL B 6 4.825 4.125 10.390 1.00 0.00 H new ATOM 0 HB VAL B 6 3.942 3.766 8.121 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.072 3.423 6.935 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.269 4.481 8.353 1.00 0.00 H new ATOM 0 HG13 VAL B 6 6.797 2.783 8.429 1.00 0.00 H new ATOM 0 HG21 VAL B 6 4.348 1.652 6.929 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.003 0.940 8.423 1.00 0.00 H new ATOM 0 HG23 VAL B 6 3.291 1.421 8.342 1.00 0.00 H new ATOM 1826 N ILE B 7 2.402 3.708 10.858 1.00 0.00 N ATOM 1827 CA ILE B 7 1.039 3.463 11.311 1.00 0.00 C ATOM 1828 C ILE B 7 0.213 2.783 10.224 1.00 0.00 C ATOM 1829 O ILE B 7 0.436 3.000 9.033 1.00 0.00 O ATOM 1830 CB ILE B 7 0.341 4.771 11.728 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.193 5.525 12.751 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -1.041 4.476 12.295 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.188 4.892 14.125 1.00 0.00 C ATOM 0 H ILE B 7 2.667 4.693 10.831 1.00 0.00 H new ATOM 0 HA ILE B 7 1.107 2.805 12.177 1.00 0.00 H new ATOM 0 HB ILE B 7 0.224 5.401 10.846 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.219 5.578 12.388 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.829 6.549 12.830 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.522 5.410 12.585 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.646 3.976 11.538 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.946 3.830 13.168 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.812 5.479 14.798 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.168 4.863 14.509 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.580 3.877 14.059 1.00 0.00 H new HETATM 1845 N PTR B 8 -0.744 1.962 10.643 1.00 0.00 N HETATM 1846 CA PTR B 8 -1.603 1.249 9.706 1.00 0.00 C HETATM 1847 C PTR B 8 -3.066 1.634 9.908 1.00 0.00 C HETATM 1848 O PTR B 8 -3.685 1.266 10.907 1.00 0.00 O HETATM 1849 CB PTR B 8 -1.434 -0.261 9.873 1.00 0.00 C HETATM 1850 CG PTR B 8 -0.144 -0.794 9.294 1.00 0.00 C HETATM 1851 CD1 PTR B 8 1.080 -0.492 9.880 1.00 0.00 C HETATM 1852 CD2 PTR B 8 -0.147 -1.599 8.162 1.00 0.00 C HETATM 1853 CE1 PTR B 8 2.262 -0.976 9.354 1.00 0.00 C HETATM 1854 CE2 PTR B 8 1.030 -2.089 7.630 1.00 0.00 C HETATM 1855 CZ PTR B 8 2.232 -1.774 8.230 1.00 0.00 C HETATM 1856 OH PTR B 8 3.407 -2.259 7.702 1.00 0.00 O HETATM 1857 P PTR B 8 4.535 -3.034 8.531 1.00 0.00 P HETATM 1858 O1P PTR B 8 4.762 -4.374 7.947 1.00 0.00 O HETATM 1859 O2P PTR B 8 5.804 -2.272 8.494 1.00 0.00 O HETATM 1860 O3P PTR B 8 4.109 -3.190 9.940 1.00 0.00 O HETATM 0 HE2 PTR B 8 1.009 -2.721 6.742 1.00 0.00 H new HETATM 0 HE1 PTR B 8 3.213 -0.728 9.825 1.00 0.00 H new HETATM 0 HD2 PTR B 8 -1.095 -1.848 7.685 1.00 0.00 H new HETATM 0 HD1 PTR B 8 1.107 0.137 10.770 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.475 -0.507 10.934 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -2.273 -0.767 9.395 1.00 0.00 H new HETATM 0 HA PTR B 8 -1.307 1.531 8.695 1.00 0.00 H new ATOM 1869 N SER B 9 -3.613 2.377 8.951 1.00 0.00 N ATOM 1870 CA SER B 9 -5.002 2.816 9.023 1.00 0.00 C ATOM 1871 C SER B 9 -5.952 1.623 8.966 1.00 0.00 C ATOM 1872 O SER B 9 -6.080 0.966 7.934 1.00 0.00 O ATOM 1873 CB SER B 9 -5.313 3.785 7.882 1.00 0.00 C ATOM 1874 OG SER B 9 -5.046 5.124 8.261 1.00 0.00 O ATOM 0 H SER B 9 -3.115 2.688 8.117 1.00 0.00 H new ATOM 0 HA SER B 9 -5.146 3.329 9.974 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.716 3.526 7.008 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.360 3.688 7.593 1.00 0.00 H new ATOM 0 HG SER B 9 -5.618 5.730 7.746 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.616 1.351 10.085 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.555 0.238 10.164 1.00 0.00 C ATOM 1882 C ASP B 10 -8.738 0.458 9.225 1.00 0.00 C ATOM 1883 O ASP B 10 -8.905 1.541 8.663 1.00 0.00 O ATOM 1884 CB ASP B 10 -8.053 0.064 11.599 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.207 -0.914 12.391 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.992 -1.006 12.117 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.760 -1.588 13.285 1.00 0.00 O ATOM 0 H ASP B 10 -6.521 1.886 10.949 1.00 0.00 H new ATOM 0 HA ASP B 10 -7.033 -0.668 9.857 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -8.051 1.031 12.101 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -9.086 -0.284 11.582 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.556 -0.576 9.060 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.722 -0.497 8.189 1.00 0.00 C ATOM 1894 C LEU B 11 -11.980 -0.176 8.991 1.00 0.00 C ATOM 1895 O LEU B 11 -11.927 -0.023 10.210 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.909 -1.814 7.432 1.00 0.00 C ATOM 1897 CG LEU B 11 -10.061 -1.988 6.172 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.694 -1.345 6.354 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.917 -3.463 5.827 1.00 0.00 C ATOM 0 H LEU B 11 -9.433 -1.479 9.518 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.555 0.307 7.472 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.686 -2.636 8.112 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.959 -1.905 7.155 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.566 -1.489 5.345 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -8.105 -1.479 5.447 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.816 -0.280 6.553 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.180 -1.814 7.193 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -9.311 -3.569 4.928 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.434 -3.985 6.654 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.903 -3.894 5.653 1.00 0.00 H new ATOM 1911 N ASN B 12 -13.109 -0.077 8.297 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.380 0.224 8.944 1.00 0.00 C ATOM 1913 C ASN B 12 -15.115 -1.059 9.323 1.00 0.00 C ATOM 1914 O ASN B 12 -15.870 -1.091 10.297 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.258 1.074 8.023 1.00 0.00 C ATOM 1916 CG ASN B 12 -16.104 0.230 7.090 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -17.332 0.215 7.191 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -15.451 -0.478 6.176 1.00 0.00 N ATOM 0 H ASN B 12 -13.169 -0.201 7.286 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.171 0.785 9.855 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.909 1.706 8.627 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.626 1.739 7.434 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.967 -1.065 5.521 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.433 -0.435 6.129 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.889 -2.113 8.548 1.00 0.00 N ATOM 1926 CA LEU B 13 -15.529 -3.400 8.802 1.00 0.00 C ATOM 1927 C LEU B 13 -15.536 -3.720 10.293 1.00 0.00 C ATOM 1928 O LEU B 13 -16.575 -4.009 10.887 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.810 -4.510 8.034 1.00 0.00 C ATOM 1930 CG LEU B 13 -13.943 -4.060 6.857 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -13.350 -5.262 6.139 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.755 -3.207 5.893 1.00 0.00 C ATOM 0 H LEU B 13 -14.268 -2.103 7.739 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.561 -3.338 8.458 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -14.180 -5.059 8.734 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.558 -5.210 7.661 1.00 0.00 H new ATOM 0 HG LEU B 13 -13.123 -3.455 7.245 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.737 -4.921 5.305 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.734 -5.833 6.833 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -14.154 -5.895 5.763 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.123 -2.895 5.062 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -15.595 -3.788 5.512 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.130 -2.326 6.414 1.00 0.00 H new ATOM 1944 N PRO B 14 -14.349 -3.666 10.916 1.00 0.00 N ATOM 1945 CA PRO B 14 -14.192 -3.944 12.346 1.00 0.00 C ATOM 1946 C PRO B 14 -14.810 -2.858 13.220 1.00 0.00 C ATOM 1947 O PRO B 14 -15.202 -1.792 12.742 1.00 0.00 O ATOM 1948 CB PRO B 14 -12.673 -3.982 12.536 1.00 0.00 C ATOM 1949 CG PRO B 14 -12.133 -3.139 11.432 1.00 0.00 C ATOM 1950 CD PRO B 14 -13.069 -3.327 10.271 1.00 0.00 C ATOM 0 HA PRO B 14 -14.696 -4.865 12.639 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -12.386 -3.589 13.511 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -12.292 -5.002 12.479 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -12.085 -2.091 11.729 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -11.120 -3.443 11.169 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -13.150 -2.422 9.669 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.731 -4.122 9.607 1.00 0.00 H new ATOM 1958 N PRO B 15 -14.901 -3.130 14.530 1.00 0.00 N ATOM 1959 CA PRO B 15 -15.469 -2.187 15.497 1.00 0.00 C ATOM 1960 C PRO B 15 -14.579 -0.968 15.712 1.00 0.00 C ATOM 1961 O PRO B 15 -14.937 0.149 15.338 1.00 0.00 O ATOM 1962 CB PRO B 15 -15.566 -3.012 16.783 1.00 0.00 C ATOM 1963 CG PRO B 15 -14.521 -4.064 16.637 1.00 0.00 C ATOM 1964 CD PRO B 15 -14.453 -4.380 15.168 1.00 0.00 C ATOM 0 HA PRO B 15 -16.424 -1.784 15.159 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.387 -2.395 17.664 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -16.557 -3.451 16.898 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -13.558 -3.711 17.005 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -14.777 -4.952 17.216 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -13.442 -4.648 14.861 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -15.099 -5.219 14.907 1.00 0.00 H new TER 1972 PRO B 15