USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1079 hydrogens (0 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 Set 1.1: A 126 TYR OH : rot -13:sc= 0.847 USER MOD Set 1.2: A 130 MET CE :methyl -111:sc= -3.74! (180deg=-8.29!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0.994 USER MOD Set 2.2: A 100 SER OG : rot -33:sc= 1.92 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.972 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 156:sc= 1.23 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 153:sc= 0.0122 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 2 MET CE :methyl 161:sc= -0.173 (180deg=-0.662) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.15) USER MOD Single : A 14 SER OG : rot -1:sc= 0.308 USER MOD Single : A 17 LYS NZ :NH3+ 132:sc= 0.308 (180deg=-0.0646) USER MOD Single : A 20 SER OG : rot 82:sc= 1.07 USER MOD Single : A 21 HIS : no HD1:sc= -0.999 K(o=-1,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 1.17 (180deg=1.04) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -4:sc= 0.264 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 47 CYS SG : rot 54:sc= -0.0467 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.06) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -120:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.898 K(o=-0.9,f=-3.7!) USER MOD Single : A 58 GLN : amide:sc= -0.943 K(o=-0.94,f=-3.2) USER MOD Single : A 60 HIS : no HD1:sc= -1.66! K(o=-1.7!,f=0.49) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.16) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.189) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.559 K(o=0.56,f=-1.3!) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.16) USER MOD Single : A 80 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 68:sc= 1.98 USER MOD Single : A 90 THR OG1 : rot -22:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= 1.15 K(o=1.2,f=-0.12) USER MOD Single : A 92 SER OG : rot -32:sc= 0.643 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 99 HIS : no HE2:sc= 0.602 K(o=0.6,f=-5.6!) USER MOD Single : A 105 GLN : amide:sc= -0.0627 X(o=-0.063,f=-0.014) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 120:sc= -1.31 USER MOD Single : A 110 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 112 MET CE :methyl -136:sc= -0.974 (180deg=-2.09) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -7:sc= 0.968 USER MOD Single : A 117 TYR OH : rot -4:sc= 1.25 USER MOD Single : A 118 THR OG1 : rot -135:sc= 0.14 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -46:sc= 0.0467 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 138.415 3.968 9.390 1.00 0.00 N ATOM 2 CA SER A 1 138.458 4.242 7.980 1.00 0.00 C ATOM 3 C SER A 1 139.716 5.014 7.625 1.00 0.00 C ATOM 4 O SER A 1 140.045 6.016 8.259 1.00 0.00 O ATOM 5 CB SER A 1 137.207 5.008 7.560 1.00 0.00 C ATOM 6 OG SER A 1 136.029 4.256 7.871 1.00 0.00 O ATOM 0 H1 SER A 1 137.425 3.873 9.695 1.00 0.00 H new ATOM 0 H2 SER A 1 138.925 3.083 9.587 1.00 0.00 H new ATOM 0 H3 SER A 1 138.864 4.749 9.909 1.00 0.00 H new ATOM 0 HA SER A 1 138.482 3.298 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 1 137.175 5.971 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 1 137.242 5.214 6.490 1.00 0.00 H new ATOM 0 HG SER A 1 135.236 4.762 7.597 1.00 0.00 H new ATOM 14 N MET A 2 140.425 4.529 6.640 1.00 0.00 N ATOM 15 CA MET A 2 141.631 5.168 6.173 1.00 0.00 C ATOM 16 C MET A 2 141.718 5.019 4.669 1.00 0.00 C ATOM 17 O MET A 2 142.133 3.979 4.162 1.00 0.00 O ATOM 18 CB MET A 2 142.875 4.569 6.859 1.00 0.00 C ATOM 19 CG MET A 2 144.196 5.204 6.432 1.00 0.00 C ATOM 20 SD MET A 2 145.634 4.489 7.274 1.00 0.00 S ATOM 21 CE MET A 2 145.523 2.776 6.739 1.00 0.00 C ATOM 0 H MET A 2 140.183 3.676 6.136 1.00 0.00 H new ATOM 0 HA MET A 2 141.599 6.227 6.429 1.00 0.00 H new ATOM 0 HB2 MET A 2 142.767 4.675 7.938 1.00 0.00 H new ATOM 0 HB3 MET A 2 142.914 3.501 6.646 1.00 0.00 H new ATOM 0 HG2 MET A 2 144.317 5.086 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 2 144.160 6.275 6.634 1.00 0.00 H new ATOM 0 HE1 MET A 2 146.487 2.288 6.880 1.00 0.00 H new ATOM 0 HE2 MET A 2 144.765 2.259 7.328 1.00 0.00 H new ATOM 0 HE3 MET A 2 145.249 2.741 5.684 1.00 0.00 H new ATOM 31 N VAL A 3 141.269 6.021 3.966 1.00 0.00 N ATOM 32 CA VAL A 3 141.264 6.004 2.519 1.00 0.00 C ATOM 33 C VAL A 3 141.966 7.240 1.957 1.00 0.00 C ATOM 34 O VAL A 3 141.710 8.361 2.387 1.00 0.00 O ATOM 35 CB VAL A 3 139.802 5.869 1.945 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.878 6.914 2.541 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.789 6.005 0.436 1.00 0.00 C ATOM 0 H VAL A 3 140.894 6.877 4.375 1.00 0.00 H new ATOM 0 HA VAL A 3 141.821 5.124 2.198 1.00 0.00 H new ATOM 0 HB VAL A 3 139.446 4.876 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.877 6.795 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.838 6.790 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.253 7.909 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.767 5.907 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.183 6.982 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.408 5.224 -0.005 1.00 0.00 H new ATOM 47 N SER A 4 142.867 7.025 1.044 1.00 0.00 N ATOM 48 CA SER A 4 143.544 8.098 0.383 1.00 0.00 C ATOM 49 C SER A 4 142.577 8.789 -0.580 1.00 0.00 C ATOM 50 O SER A 4 141.745 8.118 -1.200 1.00 0.00 O ATOM 51 CB SER A 4 144.789 7.546 -0.335 1.00 0.00 C ATOM 52 OG SER A 4 144.476 6.380 -1.104 1.00 0.00 O ATOM 0 H SER A 4 143.153 6.096 0.737 1.00 0.00 H new ATOM 0 HA SER A 4 143.881 8.844 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 4 145.204 8.314 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.557 7.304 0.400 1.00 0.00 H new ATOM 0 HG SER A 4 145.286 6.054 -1.549 1.00 0.00 H new ATOM 58 N PRO A 5 142.620 10.145 -0.667 1.00 0.00 N ATOM 59 CA PRO A 5 141.762 10.932 -1.576 1.00 0.00 C ATOM 60 C PRO A 5 141.698 10.358 -3.000 1.00 0.00 C ATOM 61 O PRO A 5 140.667 10.454 -3.658 1.00 0.00 O ATOM 62 CB PRO A 5 142.427 12.304 -1.573 1.00 0.00 C ATOM 63 CG PRO A 5 143.010 12.418 -0.210 1.00 0.00 C ATOM 64 CD PRO A 5 143.470 11.031 0.163 1.00 0.00 C ATOM 0 HA PRO A 5 140.723 10.939 -1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 5 143.195 12.377 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.705 13.098 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.843 13.121 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 5 142.271 12.788 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.529 10.888 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.333 10.836 1.227 1.00 0.00 H new ATOM 72 N GLU A 6 142.789 9.729 -3.442 1.00 0.00 N ATOM 73 CA GLU A 6 142.831 9.083 -4.752 1.00 0.00 C ATOM 74 C GLU A 6 141.827 7.923 -4.801 1.00 0.00 C ATOM 75 O GLU A 6 140.926 7.908 -5.618 1.00 0.00 O ATOM 76 CB GLU A 6 144.233 8.563 -5.047 1.00 0.00 C ATOM 77 CG GLU A 6 144.354 7.871 -6.392 1.00 0.00 C ATOM 78 CD GLU A 6 145.724 7.330 -6.634 1.00 0.00 C ATOM 79 OE1 GLU A 6 146.584 8.068 -7.143 1.00 0.00 O ATOM 80 OE2 GLU A 6 145.976 6.139 -6.321 1.00 0.00 O ATOM 0 H GLU A 6 143.656 9.654 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 6 142.564 9.821 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.935 9.396 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.526 7.866 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 6 143.631 7.057 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.100 8.576 -7.184 1.00 0.00 H new ATOM 87 N GLU A 7 141.976 6.992 -3.878 1.00 0.00 N ATOM 88 CA GLU A 7 141.118 5.813 -3.766 1.00 0.00 C ATOM 89 C GLU A 7 139.671 6.267 -3.527 1.00 0.00 C ATOM 90 O GLU A 7 138.738 5.675 -4.043 1.00 0.00 O ATOM 91 CB GLU A 7 141.668 4.967 -2.591 1.00 0.00 C ATOM 92 CG GLU A 7 140.809 3.818 -2.055 1.00 0.00 C ATOM 93 CD GLU A 7 140.516 2.727 -3.035 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.438 2.274 -3.765 1.00 0.00 O ATOM 95 OE2 GLU A 7 139.382 2.246 -3.056 1.00 0.00 O ATOM 0 H GLU A 7 142.708 7.028 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 7 141.119 5.210 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.625 4.548 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.872 5.644 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.312 3.383 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.864 4.228 -1.700 1.00 0.00 H new ATOM 102 N ALA A 8 139.516 7.362 -2.796 1.00 0.00 N ATOM 103 CA ALA A 8 138.211 7.917 -2.532 1.00 0.00 C ATOM 104 C ALA A 8 137.562 8.479 -3.812 1.00 0.00 C ATOM 105 O ALA A 8 136.418 8.150 -4.098 1.00 0.00 O ATOM 106 CB ALA A 8 138.253 8.941 -1.398 1.00 0.00 C ATOM 0 H ALA A 8 140.287 7.881 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 8 137.571 7.103 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.252 9.337 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.613 8.461 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.924 9.756 -1.668 1.00 0.00 H new ATOM 112 N VAL A 9 138.291 9.304 -4.611 1.00 0.00 N ATOM 113 CA VAL A 9 137.727 9.823 -5.897 1.00 0.00 C ATOM 114 C VAL A 9 137.400 8.666 -6.845 1.00 0.00 C ATOM 115 O VAL A 9 136.493 8.749 -7.681 1.00 0.00 O ATOM 116 CB VAL A 9 138.633 10.877 -6.653 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.932 12.093 -5.807 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.918 10.274 -7.197 1.00 0.00 C ATOM 0 H VAL A 9 139.239 9.618 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 9 136.824 10.358 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 9 138.041 11.202 -7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.557 12.785 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.998 12.586 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.457 11.787 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.496 11.046 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.504 9.864 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.677 9.479 -7.903 1.00 0.00 H new ATOM 128 N LYS A 10 138.126 7.584 -6.673 1.00 0.00 N ATOM 129 CA LYS A 10 137.945 6.361 -7.423 1.00 0.00 C ATOM 130 C LYS A 10 136.612 5.678 -7.086 1.00 0.00 C ATOM 131 O LYS A 10 136.084 4.902 -7.870 1.00 0.00 O ATOM 132 CB LYS A 10 139.108 5.435 -7.146 1.00 0.00 C ATOM 133 CG LYS A 10 140.421 5.870 -7.763 1.00 0.00 C ATOM 134 CD LYS A 10 140.415 5.636 -9.242 1.00 0.00 C ATOM 135 CE LYS A 10 140.285 4.155 -9.507 1.00 0.00 C ATOM 136 NZ LYS A 10 140.280 3.846 -10.952 1.00 0.00 N ATOM 0 H LYS A 10 138.880 7.529 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 10 137.915 6.605 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.239 5.350 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.860 4.440 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.592 6.927 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.243 5.319 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.588 6.175 -9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 10 141.334 6.019 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 10 141.110 3.628 -9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 10 139.364 3.786 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 140.206 2.817 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 139.469 4.314 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.162 4.189 -11.383 1.00 0.00 H new ATOM 150 N TRP A 11 136.073 5.968 -5.926 1.00 0.00 N ATOM 151 CA TRP A 11 134.767 5.447 -5.542 1.00 0.00 C ATOM 152 C TRP A 11 133.683 6.173 -6.311 1.00 0.00 C ATOM 153 O TRP A 11 132.604 5.638 -6.540 1.00 0.00 O ATOM 154 CB TRP A 11 134.516 5.619 -4.041 1.00 0.00 C ATOM 155 CG TRP A 11 135.466 4.875 -3.165 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.330 3.892 -3.535 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.619 5.033 -1.759 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.045 3.466 -2.458 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.619 4.142 -1.348 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.016 5.859 -0.810 1.00 0.00 C ATOM 161 CZ2 TRP A 11 137.024 4.048 -0.029 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.417 5.756 0.504 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.410 4.861 0.881 1.00 0.00 C ATOM 0 H TRP A 11 136.514 6.563 -5.224 1.00 0.00 H new ATOM 0 HA TRP A 11 134.749 4.383 -5.776 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.570 6.680 -3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.501 5.291 -3.815 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.434 3.505 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.779 2.758 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.251 6.564 -1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.798 3.357 0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.952 6.381 1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.704 4.807 1.919 1.00 0.00 H new ATOM 174 N GLY A 12 134.014 7.369 -6.776 1.00 0.00 N ATOM 175 CA GLY A 12 133.060 8.216 -7.458 1.00 0.00 C ATOM 176 C GLY A 12 132.938 7.898 -8.929 1.00 0.00 C ATOM 177 O GLY A 12 132.314 8.646 -9.681 1.00 0.00 O ATOM 0 H GLY A 12 134.947 7.773 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.083 8.108 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.358 9.258 -7.340 1.00 0.00 H new ATOM 181 N GLU A 13 133.563 6.815 -9.346 1.00 0.00 N ATOM 182 CA GLU A 13 133.468 6.362 -10.719 1.00 0.00 C ATOM 183 C GLU A 13 132.968 4.918 -10.781 1.00 0.00 C ATOM 184 O GLU A 13 132.727 4.376 -11.868 1.00 0.00 O ATOM 185 CB GLU A 13 134.818 6.525 -11.443 1.00 0.00 C ATOM 186 CG GLU A 13 135.981 5.805 -10.774 1.00 0.00 C ATOM 187 CD GLU A 13 137.312 6.136 -11.394 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.713 7.312 -11.346 1.00 0.00 O ATOM 189 OE2 GLU A 13 137.997 5.228 -11.918 1.00 0.00 O ATOM 0 H GLU A 13 134.146 6.229 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 13 132.739 6.985 -11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.716 6.155 -12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.054 7.587 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.004 6.067 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.817 4.729 -10.832 1.00 0.00 H new ATOM 196 N SER A 14 132.817 4.287 -9.618 1.00 0.00 N ATOM 197 CA SER A 14 132.355 2.907 -9.535 1.00 0.00 C ATOM 198 C SER A 14 131.759 2.601 -8.147 1.00 0.00 C ATOM 199 O SER A 14 132.502 2.451 -7.162 1.00 0.00 O ATOM 200 CB SER A 14 133.516 1.925 -9.830 1.00 0.00 C ATOM 201 OG SER A 14 134.053 2.120 -11.135 1.00 0.00 O ATOM 0 H SER A 14 133.011 4.716 -8.713 1.00 0.00 H new ATOM 0 HA SER A 14 131.575 2.776 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.304 2.060 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.159 0.900 -9.733 1.00 0.00 H new ATOM 0 HG SER A 14 133.555 2.830 -11.591 1.00 0.00 H new ATOM 207 N PHE A 15 130.427 2.504 -8.071 1.00 0.00 N ATOM 208 CA PHE A 15 129.728 2.164 -6.826 1.00 0.00 C ATOM 209 C PHE A 15 130.177 0.802 -6.323 1.00 0.00 C ATOM 210 O PHE A 15 130.305 0.594 -5.123 1.00 0.00 O ATOM 211 CB PHE A 15 128.192 2.194 -7.016 1.00 0.00 C ATOM 212 CG PHE A 15 127.385 1.803 -5.786 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.520 2.492 -4.593 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.483 0.752 -5.836 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.777 2.142 -3.481 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.741 0.402 -4.721 1.00 0.00 C ATOM 217 CZ PHE A 15 125.890 1.097 -3.548 1.00 0.00 C ATOM 0 H PHE A 15 129.806 2.658 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 15 129.985 2.916 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.898 3.198 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.929 1.523 -7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.216 3.315 -4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.358 0.200 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.895 2.691 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 15 125.043 -0.420 -4.775 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.311 0.822 -2.679 1.00 0.00 H new ATOM 227 N ASP A 16 130.465 -0.102 -7.247 1.00 0.00 N ATOM 228 CA ASP A 16 130.917 -1.441 -6.886 1.00 0.00 C ATOM 229 C ASP A 16 132.248 -1.382 -6.154 1.00 0.00 C ATOM 230 O ASP A 16 132.467 -2.115 -5.197 1.00 0.00 O ATOM 231 CB ASP A 16 131.040 -2.339 -8.112 1.00 0.00 C ATOM 232 CG ASP A 16 131.448 -3.743 -7.750 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.582 -4.530 -7.347 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.637 -4.083 -7.875 1.00 0.00 O ATOM 0 H ASP A 16 130.395 0.065 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 16 130.165 -1.869 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.086 -2.364 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.773 -1.915 -8.799 1.00 0.00 H new ATOM 239 N LYS A 17 133.114 -0.465 -6.573 1.00 0.00 N ATOM 240 CA LYS A 17 134.420 -0.307 -5.946 1.00 0.00 C ATOM 241 C LYS A 17 134.250 0.189 -4.540 1.00 0.00 C ATOM 242 O LYS A 17 134.850 -0.348 -3.606 1.00 0.00 O ATOM 243 CB LYS A 17 135.296 0.667 -6.721 1.00 0.00 C ATOM 244 CG LYS A 17 136.571 1.025 -5.997 1.00 0.00 C ATOM 245 CD LYS A 17 137.436 1.948 -6.809 1.00 0.00 C ATOM 246 CE LYS A 17 138.650 2.378 -6.019 1.00 0.00 C ATOM 247 NZ LYS A 17 139.546 1.265 -5.658 1.00 0.00 N ATOM 0 H LYS A 17 132.935 0.179 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 17 134.910 -1.281 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.545 0.231 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.730 1.577 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.328 1.498 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.126 0.115 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.751 1.447 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 17 136.861 2.825 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 17 139.210 3.110 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.321 2.878 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 140.527 1.520 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 139.469 1.074 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.275 0.414 -6.191 1.00 0.00 H new ATOM 261 N LEU A 18 133.407 1.184 -4.412 1.00 0.00 N ATOM 262 CA LEU A 18 133.069 1.801 -3.153 1.00 0.00 C ATOM 263 C LEU A 18 132.570 0.758 -2.188 1.00 0.00 C ATOM 264 O LEU A 18 133.110 0.572 -1.106 1.00 0.00 O ATOM 265 CB LEU A 18 131.950 2.814 -3.418 1.00 0.00 C ATOM 266 CG LEU A 18 131.188 3.349 -2.210 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.075 4.177 -1.323 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.019 4.155 -2.675 1.00 0.00 C ATOM 0 H LEU A 18 132.922 1.600 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 18 133.945 2.287 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.383 3.663 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.230 2.352 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 18 130.836 2.501 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.500 4.542 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.904 3.566 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.465 5.024 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.474 4.537 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.371 4.990 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.358 3.526 -3.272 1.00 0.00 H new ATOM 280 N LEU A 19 131.597 0.046 -2.650 1.00 0.00 N ATOM 281 CA LEU A 19 130.865 -0.901 -1.881 1.00 0.00 C ATOM 282 C LEU A 19 131.709 -2.117 -1.509 1.00 0.00 C ATOM 283 O LEU A 19 131.537 -2.703 -0.443 1.00 0.00 O ATOM 284 CB LEU A 19 129.684 -1.310 -2.707 1.00 0.00 C ATOM 285 CG LEU A 19 128.497 -1.813 -1.969 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.004 -0.730 -1.011 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.441 -2.154 -2.977 1.00 0.00 C ATOM 0 H LEU A 19 131.277 0.112 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 19 130.555 -0.452 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.375 -0.454 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.007 -2.085 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 19 128.743 -2.699 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.133 -1.095 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.796 -0.482 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.731 0.160 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.555 -2.527 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.181 -1.262 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.818 -2.921 -3.654 1.00 0.00 H new ATOM 299 N SER A 20 132.603 -2.502 -2.383 1.00 0.00 N ATOM 300 CA SER A 20 133.461 -3.627 -2.111 1.00 0.00 C ATOM 301 C SER A 20 134.640 -3.220 -1.223 1.00 0.00 C ATOM 302 O SER A 20 135.219 -4.055 -0.519 1.00 0.00 O ATOM 303 CB SER A 20 133.942 -4.251 -3.414 1.00 0.00 C ATOM 304 OG SER A 20 132.833 -4.652 -4.216 1.00 0.00 O ATOM 0 H SER A 20 132.756 -2.055 -3.287 1.00 0.00 H new ATOM 0 HA SER A 20 132.885 -4.375 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.555 -3.535 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.574 -5.113 -3.200 1.00 0.00 H new ATOM 0 HG SER A 20 132.486 -3.877 -4.706 1.00 0.00 H new ATOM 310 N HIS A 21 134.965 -1.941 -1.213 1.00 0.00 N ATOM 311 CA HIS A 21 136.081 -1.457 -0.432 1.00 0.00 C ATOM 312 C HIS A 21 135.585 -1.353 0.985 1.00 0.00 C ATOM 313 O HIS A 21 134.559 -0.738 1.214 1.00 0.00 O ATOM 314 CB HIS A 21 136.542 -0.062 -0.924 1.00 0.00 C ATOM 315 CG HIS A 21 137.956 0.284 -0.571 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.303 1.178 0.410 1.00 0.00 N ATOM 317 CD2 HIS A 21 139.121 -0.141 -1.108 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.613 1.280 0.462 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.131 0.494 -0.440 1.00 0.00 N ATOM 0 H HIS A 21 134.470 -1.220 -1.738 1.00 0.00 H new ATOM 0 HA HIS A 21 136.934 -2.130 -0.521 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.430 -0.017 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.880 0.695 -0.503 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.233 -0.850 -1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.168 1.911 1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.128 0.372 -0.618 1.00 0.00 H new ATOM 328 N ARG A 22 136.288 -1.941 1.921 1.00 0.00 N ATOM 329 CA ARG A 22 135.842 -1.949 3.329 1.00 0.00 C ATOM 330 C ARG A 22 135.635 -0.537 3.867 1.00 0.00 C ATOM 331 O ARG A 22 134.645 -0.259 4.536 1.00 0.00 O ATOM 332 CB ARG A 22 136.786 -2.765 4.234 1.00 0.00 C ATOM 333 CG ARG A 22 136.561 -4.282 4.217 1.00 0.00 C ATOM 334 CD ARG A 22 136.684 -4.897 2.831 1.00 0.00 C ATOM 335 NE ARG A 22 136.446 -6.340 2.861 1.00 0.00 N ATOM 336 CZ ARG A 22 135.718 -7.027 1.973 1.00 0.00 C ATOM 337 NH1 ARG A 22 135.099 -6.395 0.977 1.00 0.00 N ATOM 338 NH2 ARG A 22 135.618 -8.346 2.083 1.00 0.00 N ATOM 0 H ARG A 22 137.171 -2.424 1.754 1.00 0.00 H new ATOM 0 HA ARG A 22 134.874 -2.449 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.814 -2.563 3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.677 -2.410 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 22 137.283 -4.756 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 22 135.570 -4.499 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 22 135.970 -4.423 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.679 -4.700 2.431 1.00 0.00 H new ATOM 0 HE ARG A 22 136.871 -6.867 3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 22 135.179 -5.382 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 22 134.545 -6.924 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 22 136.095 -8.832 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 22 135.064 -8.873 1.408 1.00 0.00 H new ATOM 352 N ASP A 23 136.541 0.357 3.525 1.00 0.00 N ATOM 353 CA ASP A 23 136.427 1.769 3.919 1.00 0.00 C ATOM 354 C ASP A 23 135.297 2.462 3.180 1.00 0.00 C ATOM 355 O ASP A 23 134.733 3.428 3.667 1.00 0.00 O ATOM 356 CB ASP A 23 137.730 2.548 3.670 1.00 0.00 C ATOM 357 CG ASP A 23 138.888 2.059 4.491 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.975 2.394 5.681 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.714 1.313 3.971 1.00 0.00 O ATOM 0 H ASP A 23 137.371 0.141 2.973 1.00 0.00 H new ATOM 0 HA ASP A 23 136.217 1.766 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.989 2.478 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.560 3.603 3.888 1.00 0.00 H new ATOM 364 N GLY A 24 134.947 1.949 2.017 1.00 0.00 N ATOM 365 CA GLY A 24 133.933 2.596 1.212 1.00 0.00 C ATOM 366 C GLY A 24 132.577 2.168 1.608 1.00 0.00 C ATOM 367 O GLY A 24 131.678 2.990 1.743 1.00 0.00 O ATOM 0 H GLY A 24 135.343 1.100 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 24 134.020 3.678 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.097 2.362 0.160 1.00 0.00 H new ATOM 371 N LEU A 25 132.426 0.878 1.803 1.00 0.00 N ATOM 372 CA LEU A 25 131.212 0.307 2.331 1.00 0.00 C ATOM 373 C LEU A 25 130.891 0.959 3.662 1.00 0.00 C ATOM 374 O LEU A 25 129.741 1.189 3.996 1.00 0.00 O ATOM 375 CB LEU A 25 131.361 -1.241 2.427 1.00 0.00 C ATOM 376 CG LEU A 25 130.816 -1.969 3.676 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.546 -3.427 3.334 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.857 -1.925 4.804 1.00 0.00 C ATOM 0 H LEU A 25 133.151 0.190 1.597 1.00 0.00 H new ATOM 0 HA LEU A 25 130.370 0.501 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.872 -1.674 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.422 -1.475 2.346 1.00 0.00 H new ATOM 0 HG LEU A 25 129.898 -1.476 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.161 -3.942 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.811 -3.482 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.472 -3.903 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.465 -2.440 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.772 -2.416 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.073 -0.888 5.059 1.00 0.00 H new ATOM 390 N GLU A 26 131.941 1.302 4.374 1.00 0.00 N ATOM 391 CA GLU A 26 131.851 1.956 5.633 1.00 0.00 C ATOM 392 C GLU A 26 131.401 3.412 5.443 1.00 0.00 C ATOM 393 O GLU A 26 130.539 3.885 6.173 1.00 0.00 O ATOM 394 CB GLU A 26 133.195 1.874 6.312 1.00 0.00 C ATOM 395 CG GLU A 26 133.218 2.320 7.758 1.00 0.00 C ATOM 396 CD GLU A 26 132.365 1.447 8.635 1.00 0.00 C ATOM 397 OE1 GLU A 26 132.599 0.219 8.669 1.00 0.00 O ATOM 398 OE2 GLU A 26 131.482 1.959 9.340 1.00 0.00 O ATOM 0 H GLU A 26 132.899 1.123 4.074 1.00 0.00 H new ATOM 0 HA GLU A 26 131.107 1.468 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.547 0.844 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.905 2.481 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 26 134.245 2.307 8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.869 3.350 7.824 1.00 0.00 H new ATOM 405 N ALA A 27 131.936 4.105 4.421 1.00 0.00 N ATOM 406 CA ALA A 27 131.532 5.500 4.185 1.00 0.00 C ATOM 407 C ALA A 27 130.068 5.534 3.754 1.00 0.00 C ATOM 408 O ALA A 27 129.266 6.363 4.226 1.00 0.00 O ATOM 409 CB ALA A 27 132.415 6.177 3.119 1.00 0.00 C ATOM 0 H ALA A 27 132.626 3.736 3.766 1.00 0.00 H new ATOM 0 HA ALA A 27 131.659 6.055 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.085 7.206 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.453 6.172 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.332 5.632 2.178 1.00 0.00 H new ATOM 415 N PHE A 28 129.714 4.587 2.914 1.00 0.00 N ATOM 416 CA PHE A 28 128.385 4.508 2.366 1.00 0.00 C ATOM 417 C PHE A 28 127.394 4.069 3.427 1.00 0.00 C ATOM 418 O PHE A 28 126.296 4.612 3.513 1.00 0.00 O ATOM 419 CB PHE A 28 128.339 3.563 1.156 1.00 0.00 C ATOM 420 CG PHE A 28 127.031 3.598 0.417 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.758 4.629 -0.466 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.073 2.619 0.610 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.562 4.682 -1.141 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.873 2.668 -0.062 1.00 0.00 C ATOM 425 CZ PHE A 28 124.618 3.702 -0.940 1.00 0.00 C ATOM 0 H PHE A 28 130.343 3.851 2.593 1.00 0.00 H new ATOM 0 HA PHE A 28 128.104 5.504 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.143 3.827 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.529 2.544 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.495 5.402 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.269 1.808 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.364 5.492 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.132 1.899 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.677 3.742 -1.469 1.00 0.00 H new ATOM 435 N THR A 29 127.787 3.110 4.268 1.00 0.00 N ATOM 436 CA THR A 29 126.892 2.634 5.285 1.00 0.00 C ATOM 437 C THR A 29 126.611 3.730 6.301 1.00 0.00 C ATOM 438 O THR A 29 125.544 3.772 6.830 1.00 0.00 O ATOM 439 CB THR A 29 127.336 1.291 5.988 1.00 0.00 C ATOM 440 OG1 THR A 29 126.242 0.757 6.758 1.00 0.00 O ATOM 441 CG2 THR A 29 128.517 1.496 6.930 1.00 0.00 C ATOM 0 H THR A 29 128.704 2.665 4.254 1.00 0.00 H new ATOM 0 HA THR A 29 125.969 2.375 4.766 1.00 0.00 H new ATOM 0 HB THR A 29 127.634 0.604 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.522 -0.076 7.190 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.785 0.545 7.389 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.368 1.881 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.243 2.210 7.707 1.00 0.00 H new ATOM 449 N ARG A 30 127.559 4.646 6.511 1.00 0.00 N ATOM 450 CA ARG A 30 127.346 5.779 7.415 1.00 0.00 C ATOM 451 C ARG A 30 126.250 6.678 6.881 1.00 0.00 C ATOM 452 O ARG A 30 125.317 7.044 7.607 1.00 0.00 O ATOM 453 CB ARG A 30 128.627 6.570 7.612 1.00 0.00 C ATOM 454 CG ARG A 30 129.668 5.837 8.416 1.00 0.00 C ATOM 455 CD ARG A 30 130.967 6.610 8.482 1.00 0.00 C ATOM 456 NE ARG A 30 130.821 7.997 8.976 1.00 0.00 N ATOM 457 CZ ARG A 30 131.851 8.856 9.071 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.088 8.414 8.908 1.00 0.00 N ATOM 459 NH2 ARG A 30 131.649 10.140 9.366 1.00 0.00 N ATOM 0 H ARG A 30 128.478 4.626 6.069 1.00 0.00 H new ATOM 0 HA ARG A 30 127.040 5.385 8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.043 6.821 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.391 7.511 8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.294 5.665 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.849 4.858 7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.662 6.076 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 30 131.413 6.635 7.488 1.00 0.00 H new ATOM 0 HE ARG A 30 129.894 8.317 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 30 133.255 7.427 8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 30 133.874 9.060 8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 30 130.702 10.484 9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 30 132.442 10.778 9.434 1.00 0.00 H new ATOM 473 N PHE A 31 126.338 6.980 5.598 1.00 0.00 N ATOM 474 CA PHE A 31 125.343 7.795 4.912 1.00 0.00 C ATOM 475 C PHE A 31 123.974 7.084 4.921 1.00 0.00 C ATOM 476 O PHE A 31 122.916 7.711 4.999 1.00 0.00 O ATOM 477 CB PHE A 31 125.813 8.062 3.468 1.00 0.00 C ATOM 478 CG PHE A 31 124.868 8.887 2.641 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.841 10.262 2.770 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.011 8.286 1.732 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.978 11.025 2.011 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.146 9.043 0.974 1.00 0.00 C ATOM 483 CZ PHE A 31 123.130 10.415 1.115 1.00 0.00 C ATOM 0 H PHE A 31 127.102 6.668 4.998 1.00 0.00 H new ATOM 0 HA PHE A 31 125.231 8.748 5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.779 8.566 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 31 125.970 7.106 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.503 10.745 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.022 7.212 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.968 12.099 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.481 8.564 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.452 11.011 0.522 1.00 0.00 H new ATOM 493 N LEU A 32 124.018 5.787 4.877 1.00 0.00 N ATOM 494 CA LEU A 32 122.830 4.975 4.849 1.00 0.00 C ATOM 495 C LEU A 32 122.244 4.814 6.285 1.00 0.00 C ATOM 496 O LEU A 32 121.024 4.720 6.475 1.00 0.00 O ATOM 497 CB LEU A 32 123.208 3.630 4.235 1.00 0.00 C ATOM 498 CG LEU A 32 122.096 2.801 3.635 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.389 3.576 2.528 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.673 1.517 3.083 1.00 0.00 C ATOM 0 H LEU A 32 124.887 5.253 4.859 1.00 0.00 H new ATOM 0 HA LEU A 32 122.051 5.445 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.950 3.812 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.695 3.033 5.006 1.00 0.00 H new ATOM 0 HG LEU A 32 121.366 2.569 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.591 2.964 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 32 120.965 4.492 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.105 3.827 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.874 0.916 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.410 1.750 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 32 123.152 0.958 3.887 1.00 0.00 H new ATOM 512 N LYS A 33 123.126 4.808 7.283 1.00 0.00 N ATOM 513 CA LYS A 33 122.752 4.688 8.699 1.00 0.00 C ATOM 514 C LYS A 33 122.123 5.959 9.225 1.00 0.00 C ATOM 515 O LYS A 33 121.131 5.899 9.953 1.00 0.00 O ATOM 516 CB LYS A 33 123.975 4.361 9.585 1.00 0.00 C ATOM 517 CG LYS A 33 124.488 2.932 9.514 1.00 0.00 C ATOM 518 CD LYS A 33 125.793 2.784 10.285 1.00 0.00 C ATOM 519 CE LYS A 33 126.258 1.333 10.357 1.00 0.00 C ATOM 520 NZ LYS A 33 125.358 0.503 11.186 1.00 0.00 N ATOM 0 H LYS A 33 124.132 4.887 7.134 1.00 0.00 H new ATOM 0 HA LYS A 33 122.029 3.873 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.788 5.032 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.718 4.582 10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.740 2.252 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.642 2.648 8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.565 3.388 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.662 3.173 11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.309 0.918 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 33 127.267 1.296 10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.870 -0.339 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 125.032 1.055 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 124.538 0.208 10.619 1.00 0.00 H new ATOM 534 N THR A 34 122.686 7.095 8.844 1.00 0.00 N ATOM 535 CA THR A 34 122.277 8.389 9.374 1.00 0.00 C ATOM 536 C THR A 34 120.771 8.702 9.140 1.00 0.00 C ATOM 537 O THR A 34 120.133 9.351 9.979 1.00 0.00 O ATOM 538 CB THR A 34 123.220 9.544 8.865 1.00 0.00 C ATOM 539 OG1 THR A 34 122.945 10.786 9.532 1.00 0.00 O ATOM 540 CG2 THR A 34 123.104 9.754 7.375 1.00 0.00 C ATOM 0 H THR A 34 123.440 7.147 8.159 1.00 0.00 H new ATOM 0 HA THR A 34 122.392 8.329 10.456 1.00 0.00 H new ATOM 0 HB THR A 34 124.236 9.227 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.549 11.480 9.193 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.771 10.559 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.380 8.836 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.077 10.018 7.124 1.00 0.00 H new ATOM 548 N GLU A 35 120.199 8.196 8.050 1.00 0.00 N ATOM 549 CA GLU A 35 118.782 8.430 7.769 1.00 0.00 C ATOM 550 C GLU A 35 117.956 7.160 7.965 1.00 0.00 C ATOM 551 O GLU A 35 116.765 7.113 7.627 1.00 0.00 O ATOM 552 CB GLU A 35 118.588 8.991 6.366 1.00 0.00 C ATOM 553 CG GLU A 35 119.131 8.122 5.251 1.00 0.00 C ATOM 554 CD GLU A 35 118.890 8.748 3.912 1.00 0.00 C ATOM 555 OE1 GLU A 35 119.391 9.856 3.675 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.217 8.144 3.054 1.00 0.00 O ATOM 0 H GLU A 35 120.685 7.629 7.355 1.00 0.00 H new ATOM 0 HA GLU A 35 118.425 9.171 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.523 9.149 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.068 9.968 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.200 7.966 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 35 118.658 7.141 5.287 1.00 0.00 H new ATOM 563 N PHE A 36 118.595 6.155 8.541 1.00 0.00 N ATOM 564 CA PHE A 36 117.994 4.856 8.835 1.00 0.00 C ATOM 565 C PHE A 36 117.462 4.141 7.588 1.00 0.00 C ATOM 566 O PHE A 36 116.248 4.088 7.334 1.00 0.00 O ATOM 567 CB PHE A 36 116.916 4.943 9.934 1.00 0.00 C ATOM 568 CG PHE A 36 117.426 5.437 11.261 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.433 6.792 11.560 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.894 4.547 12.210 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.896 7.246 12.776 1.00 0.00 C ATOM 572 CE2 PHE A 36 118.360 4.998 13.431 1.00 0.00 C ATOM 573 CZ PHE A 36 118.361 6.348 13.714 1.00 0.00 C ATOM 0 H PHE A 36 119.572 6.218 8.826 1.00 0.00 H new ATOM 0 HA PHE A 36 118.807 4.242 9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.120 5.605 9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.473 3.957 10.072 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.071 7.500 10.830 1.00 0.00 H new ATOM 0 HD2 PHE A 36 117.896 3.489 11.995 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.895 8.304 12.994 1.00 0.00 H new ATOM 0 HE2 PHE A 36 118.724 4.293 14.164 1.00 0.00 H new ATOM 0 HZ PHE A 36 118.725 6.701 14.668 1.00 0.00 H new ATOM 583 N SER A 37 118.371 3.679 6.776 1.00 0.00 N ATOM 584 CA SER A 37 118.060 2.867 5.611 1.00 0.00 C ATOM 585 C SER A 37 119.222 1.908 5.383 1.00 0.00 C ATOM 586 O SER A 37 119.430 1.379 4.290 1.00 0.00 O ATOM 587 CB SER A 37 117.845 3.762 4.390 1.00 0.00 C ATOM 588 OG SER A 37 116.781 4.688 4.627 1.00 0.00 O ATOM 0 H SER A 37 119.368 3.854 6.899 1.00 0.00 H new ATOM 0 HA SER A 37 117.142 2.302 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.763 4.304 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.614 3.149 3.519 1.00 0.00 H new ATOM 0 HG SER A 37 116.377 4.506 5.501 1.00 0.00 H new ATOM 594 N GLU A 38 119.914 1.611 6.475 1.00 0.00 N ATOM 595 CA GLU A 38 121.146 0.841 6.441 1.00 0.00 C ATOM 596 C GLU A 38 120.881 -0.641 6.185 1.00 0.00 C ATOM 597 O GLU A 38 121.786 -1.386 5.798 1.00 0.00 O ATOM 598 CB GLU A 38 121.906 1.026 7.753 1.00 0.00 C ATOM 599 CG GLU A 38 121.149 0.514 8.959 1.00 0.00 C ATOM 600 CD GLU A 38 121.825 0.804 10.259 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.836 0.171 10.563 1.00 0.00 O ATOM 602 OE2 GLU A 38 121.326 1.642 11.032 1.00 0.00 O ATOM 0 H GLU A 38 119.634 1.900 7.412 1.00 0.00 H new ATOM 0 HA GLU A 38 121.752 1.211 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.863 0.509 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.125 2.085 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.155 0.960 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 38 121.014 -0.563 8.862 1.00 0.00 H new ATOM 609 N GLU A 39 119.631 -1.054 6.335 1.00 0.00 N ATOM 610 CA GLU A 39 119.287 -2.452 6.184 1.00 0.00 C ATOM 611 C GLU A 39 119.224 -2.884 4.732 1.00 0.00 C ATOM 612 O GLU A 39 118.944 -4.016 4.451 1.00 0.00 O ATOM 613 CB GLU A 39 118.017 -2.880 6.965 1.00 0.00 C ATOM 614 CG GLU A 39 116.732 -2.115 6.664 1.00 0.00 C ATOM 615 CD GLU A 39 116.739 -0.724 7.223 1.00 0.00 C ATOM 616 OE1 GLU A 39 116.588 -0.556 8.459 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.937 0.219 6.477 1.00 0.00 O ATOM 0 H GLU A 39 118.846 -0.443 6.560 1.00 0.00 H new ATOM 0 HA GLU A 39 120.114 -2.990 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 39 117.837 -3.937 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 39 118.226 -2.786 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.588 -2.067 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 39 115.884 -2.663 7.075 1.00 0.00 H new ATOM 624 N ASN A 40 119.497 -1.973 3.824 1.00 0.00 N ATOM 625 CA ASN A 40 119.601 -2.323 2.409 1.00 0.00 C ATOM 626 C ASN A 40 120.998 -2.878 2.144 1.00 0.00 C ATOM 627 O ASN A 40 121.185 -4.000 1.560 1.00 0.00 O ATOM 628 CB ASN A 40 119.320 -1.107 1.510 1.00 0.00 C ATOM 629 CG ASN A 40 117.881 -0.632 1.590 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.963 -1.417 1.812 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.666 0.637 1.383 1.00 0.00 N ATOM 0 H ASN A 40 119.652 -0.986 4.030 1.00 0.00 H new ATOM 0 HA ASN A 40 118.852 -3.078 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.983 -0.290 1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.556 -1.363 0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.714 1.003 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.450 1.264 1.201 1.00 0.00 H new ATOM 638 N ILE A 41 121.995 -2.156 2.648 1.00 0.00 N ATOM 639 CA ILE A 41 123.360 -2.597 2.509 1.00 0.00 C ATOM 640 C ILE A 41 123.504 -3.879 3.314 1.00 0.00 C ATOM 641 O ILE A 41 124.123 -4.840 2.878 1.00 0.00 O ATOM 642 CB ILE A 41 124.411 -1.497 2.952 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.653 -1.546 2.038 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.821 -1.613 4.443 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.714 -0.515 2.370 1.00 0.00 C ATOM 0 H ILE A 41 121.876 -1.275 3.149 1.00 0.00 H new ATOM 0 HA ILE A 41 123.580 -2.780 1.457 1.00 0.00 H new ATOM 0 HB ILE A 41 123.920 -0.530 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 41 126.097 -2.540 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.335 -1.403 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.542 -0.832 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.939 -1.499 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.271 -2.590 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.551 -0.619 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.291 0.485 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 41 127.064 -0.669 3.391 1.00 0.00 H new ATOM 657 N GLU A 42 122.824 -3.921 4.461 1.00 0.00 N ATOM 658 CA GLU A 42 122.851 -5.083 5.268 1.00 0.00 C ATOM 659 C GLU A 42 121.839 -6.138 4.861 1.00 0.00 C ATOM 660 O GLU A 42 121.844 -7.244 5.397 1.00 0.00 O ATOM 661 CB GLU A 42 122.905 -4.803 6.756 1.00 0.00 C ATOM 662 CG GLU A 42 124.318 -4.467 7.222 1.00 0.00 C ATOM 663 CD GLU A 42 124.400 -4.160 8.686 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.388 -5.111 9.516 1.00 0.00 O ATOM 665 OE2 GLU A 42 124.482 -2.971 9.054 1.00 0.00 O ATOM 0 H GLU A 42 122.259 -3.155 4.827 1.00 0.00 H new ATOM 0 HA GLU A 42 123.816 -5.544 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 42 122.238 -3.974 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.540 -5.673 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.977 -5.305 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.686 -3.611 6.657 1.00 0.00 H new ATOM 672 N PHE A 43 120.993 -5.799 3.903 1.00 0.00 N ATOM 673 CA PHE A 43 120.097 -6.754 3.278 1.00 0.00 C ATOM 674 C PHE A 43 120.936 -7.785 2.618 1.00 0.00 C ATOM 675 O PHE A 43 120.861 -8.976 2.945 1.00 0.00 O ATOM 676 CB PHE A 43 119.199 -6.067 2.224 1.00 0.00 C ATOM 677 CG PHE A 43 118.459 -6.990 1.297 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.219 -7.443 1.617 1.00 0.00 C ATOM 679 CD2 PHE A 43 119.021 -7.381 0.086 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.533 -8.271 0.768 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.346 -8.215 -0.771 1.00 0.00 C ATOM 682 CZ PHE A 43 117.098 -8.661 -0.429 1.00 0.00 C ATOM 0 H PHE A 43 120.909 -4.851 3.537 1.00 0.00 H new ATOM 0 HA PHE A 43 119.445 -7.196 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.471 -5.444 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.819 -5.400 1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.768 -7.147 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 43 120.003 -7.023 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.547 -8.620 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.795 -8.516 -1.706 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.557 -9.317 -1.095 1.00 0.00 H new ATOM 692 N TRP A 44 121.788 -7.347 1.706 1.00 0.00 N ATOM 693 CA TRP A 44 122.613 -8.334 1.055 1.00 0.00 C ATOM 694 C TRP A 44 123.776 -8.820 1.895 1.00 0.00 C ATOM 695 O TRP A 44 124.276 -9.907 1.677 1.00 0.00 O ATOM 696 CB TRP A 44 122.943 -8.074 -0.416 1.00 0.00 C ATOM 697 CG TRP A 44 123.455 -6.727 -0.770 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.815 -5.810 -1.543 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.703 -6.145 -0.395 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.591 -4.705 -1.697 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.750 -4.875 -0.977 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.784 -6.570 0.385 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.831 -4.032 -0.812 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.857 -5.727 0.548 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.872 -4.471 -0.043 1.00 0.00 C ATOM 0 H TRP A 44 121.920 -6.378 1.417 1.00 0.00 H new ATOM 0 HA TRP A 44 121.949 -9.195 0.983 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.683 -8.810 -0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.042 -8.257 -1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.833 -5.941 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.353 -3.885 -2.255 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.775 -7.544 0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.853 -3.057 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.700 -6.046 1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.725 -3.826 0.108 1.00 0.00 H new ATOM 716 N ILE A 45 124.175 -8.035 2.887 1.00 0.00 N ATOM 717 CA ILE A 45 125.160 -8.495 3.863 1.00 0.00 C ATOM 718 C ILE A 45 124.586 -9.694 4.624 1.00 0.00 C ATOM 719 O ILE A 45 125.296 -10.653 4.897 1.00 0.00 O ATOM 720 CB ILE A 45 125.603 -7.338 4.822 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.546 -6.360 4.094 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.173 -7.803 6.159 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.023 -5.186 4.930 1.00 0.00 C ATOM 0 H ILE A 45 123.837 -7.085 3.039 1.00 0.00 H new ATOM 0 HA ILE A 45 126.063 -8.814 3.343 1.00 0.00 H new ATOM 0 HB ILE A 45 124.690 -6.807 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.417 -6.913 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.035 -5.975 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.453 -6.935 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.421 -8.384 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 45 127.053 -8.422 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.680 -4.556 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.164 -4.602 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.568 -5.556 5.799 1.00 0.00 H new ATOM 735 N ALA A 46 123.281 -9.661 4.901 1.00 0.00 N ATOM 736 CA ALA A 46 122.600 -10.787 5.530 1.00 0.00 C ATOM 737 C ALA A 46 122.621 -11.976 4.588 1.00 0.00 C ATOM 738 O ALA A 46 122.893 -13.105 5.000 1.00 0.00 O ATOM 739 CB ALA A 46 121.150 -10.450 5.875 1.00 0.00 C ATOM 0 H ALA A 46 122.677 -8.865 4.698 1.00 0.00 H new ATOM 0 HA ALA A 46 123.125 -11.021 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.677 -11.314 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.127 -9.607 6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.611 -10.189 4.965 1.00 0.00 H new ATOM 745 N CYS A 47 122.354 -11.702 3.323 1.00 0.00 N ATOM 746 CA CYS A 47 122.306 -12.720 2.285 1.00 0.00 C ATOM 747 C CYS A 47 123.662 -13.402 2.113 1.00 0.00 C ATOM 748 O CYS A 47 123.747 -14.624 2.080 1.00 0.00 O ATOM 749 CB CYS A 47 121.854 -12.092 0.969 1.00 0.00 C ATOM 750 SG CYS A 47 120.274 -11.220 1.084 1.00 0.00 S ATOM 0 H CYS A 47 122.163 -10.759 2.983 1.00 0.00 H new ATOM 0 HA CYS A 47 121.588 -13.484 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.619 -11.395 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 47 121.774 -12.873 0.213 1.00 0.00 H new ATOM 0 HG CYS A 47 120.327 -10.351 2.050 1.00 0.00 H new ATOM 756 N GLU A 48 124.718 -12.616 2.047 1.00 0.00 N ATOM 757 CA GLU A 48 126.047 -13.160 1.880 1.00 0.00 C ATOM 758 C GLU A 48 126.541 -13.819 3.192 1.00 0.00 C ATOM 759 O GLU A 48 127.387 -14.717 3.171 1.00 0.00 O ATOM 760 CB GLU A 48 127.013 -12.089 1.357 1.00 0.00 C ATOM 761 CG GLU A 48 126.572 -11.439 0.027 1.00 0.00 C ATOM 762 CD GLU A 48 126.469 -12.407 -1.154 1.00 0.00 C ATOM 763 OE1 GLU A 48 125.444 -13.103 -1.301 1.00 0.00 O ATOM 764 OE2 GLU A 48 127.426 -12.468 -1.981 1.00 0.00 O ATOM 0 H GLU A 48 124.680 -11.598 2.107 1.00 0.00 H new ATOM 0 HA GLU A 48 126.012 -13.947 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.119 -11.310 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.997 -12.537 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 48 125.603 -10.963 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.279 -10.650 -0.228 1.00 0.00 H new ATOM 771 N ASP A 49 125.986 -13.389 4.321 1.00 0.00 N ATOM 772 CA ASP A 49 126.263 -14.028 5.631 1.00 0.00 C ATOM 773 C ASP A 49 125.662 -15.421 5.641 1.00 0.00 C ATOM 774 O ASP A 49 126.219 -16.372 6.185 1.00 0.00 O ATOM 775 CB ASP A 49 125.649 -13.209 6.778 1.00 0.00 C ATOM 776 CG ASP A 49 125.730 -13.910 8.118 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.773 -13.802 8.801 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.753 -14.599 8.503 1.00 0.00 O ATOM 0 H ASP A 49 125.340 -12.601 4.369 1.00 0.00 H new ATOM 0 HA ASP A 49 127.342 -14.078 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.161 -12.249 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.605 -12.998 6.547 1.00 0.00 H new ATOM 783 N PHE A 50 124.529 -15.508 5.029 1.00 0.00 N ATOM 784 CA PHE A 50 123.792 -16.728 4.861 1.00 0.00 C ATOM 785 C PHE A 50 124.500 -17.630 3.830 1.00 0.00 C ATOM 786 O PHE A 50 124.602 -18.839 4.009 1.00 0.00 O ATOM 787 CB PHE A 50 122.345 -16.325 4.513 1.00 0.00 C ATOM 788 CG PHE A 50 121.565 -17.209 3.620 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.395 -18.544 3.884 1.00 0.00 C ATOM 790 CD2 PHE A 50 120.984 -16.672 2.494 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.665 -19.319 3.039 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.245 -17.447 1.652 1.00 0.00 C ATOM 793 CZ PHE A 50 120.088 -18.771 1.925 1.00 0.00 C ATOM 0 H PHE A 50 124.067 -14.700 4.612 1.00 0.00 H new ATOM 0 HA PHE A 50 123.752 -17.339 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.793 -16.227 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.376 -15.336 4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.842 -18.980 4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.116 -15.623 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.540 -20.371 3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 50 119.787 -17.014 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.506 -19.392 1.260 1.00 0.00 H new ATOM 803 N LYS A 51 125.032 -16.997 2.810 1.00 0.00 N ATOM 804 CA LYS A 51 125.880 -17.621 1.780 1.00 0.00 C ATOM 805 C LYS A 51 127.114 -18.297 2.427 1.00 0.00 C ATOM 806 O LYS A 51 127.670 -19.257 1.889 1.00 0.00 O ATOM 807 CB LYS A 51 126.330 -16.498 0.849 1.00 0.00 C ATOM 808 CG LYS A 51 127.315 -16.829 -0.251 1.00 0.00 C ATOM 809 CD LYS A 51 127.848 -15.519 -0.792 1.00 0.00 C ATOM 810 CE LYS A 51 128.806 -15.670 -1.945 1.00 0.00 C ATOM 811 NZ LYS A 51 129.355 -14.350 -2.338 1.00 0.00 N ATOM 0 H LYS A 51 124.891 -15.999 2.655 1.00 0.00 H new ATOM 0 HA LYS A 51 125.330 -18.391 1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 51 125.440 -16.076 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 51 126.770 -15.713 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 51 128.128 -17.444 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.829 -17.401 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.008 -14.902 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.349 -14.983 0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 51 129.619 -16.340 -1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.295 -16.125 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 129.905 -14.450 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 128.574 -13.682 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 129.972 -13.991 -1.581 1.00 0.00 H new ATOM 825 N LYS A 52 127.536 -17.770 3.574 1.00 0.00 N ATOM 826 CA LYS A 52 128.658 -18.329 4.339 1.00 0.00 C ATOM 827 C LYS A 52 128.298 -19.669 5.013 1.00 0.00 C ATOM 828 O LYS A 52 129.184 -20.388 5.472 1.00 0.00 O ATOM 829 CB LYS A 52 129.135 -17.336 5.410 1.00 0.00 C ATOM 830 CG LYS A 52 129.679 -16.026 4.861 1.00 0.00 C ATOM 831 CD LYS A 52 130.017 -15.030 5.976 1.00 0.00 C ATOM 832 CE LYS A 52 131.072 -15.571 6.929 1.00 0.00 C ATOM 833 NZ LYS A 52 131.414 -14.601 7.995 1.00 0.00 N ATOM 0 H LYS A 52 127.114 -16.946 4.002 1.00 0.00 H new ATOM 0 HA LYS A 52 129.459 -18.514 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.303 -17.117 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.910 -17.813 6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.573 -16.225 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.944 -15.582 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 52 130.372 -14.099 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.112 -14.792 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.710 -16.494 7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 52 131.971 -15.823 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 132.136 -15.012 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 131.784 -13.729 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 130.562 -14.379 8.549 1.00 0.00 H new ATOM 847 N SER A 53 127.024 -19.999 5.079 1.00 0.00 N ATOM 848 CA SER A 53 126.599 -21.233 5.712 1.00 0.00 C ATOM 849 C SER A 53 126.713 -22.375 4.712 1.00 0.00 C ATOM 850 O SER A 53 126.682 -22.154 3.509 1.00 0.00 O ATOM 851 CB SER A 53 125.151 -21.112 6.217 1.00 0.00 C ATOM 852 OG SER A 53 124.755 -22.275 6.936 1.00 0.00 O ATOM 0 H SER A 53 126.265 -19.431 4.703 1.00 0.00 H new ATOM 0 HA SER A 53 127.242 -21.434 6.569 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.060 -20.236 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 53 124.480 -20.959 5.372 1.00 0.00 H new ATOM 0 HG SER A 53 123.982 -22.685 6.495 1.00 0.00 H new ATOM 858 N LYS A 54 126.872 -23.578 5.191 1.00 0.00 N ATOM 859 CA LYS A 54 126.967 -24.706 4.308 1.00 0.00 C ATOM 860 C LYS A 54 125.902 -25.730 4.643 1.00 0.00 C ATOM 861 O LYS A 54 125.771 -26.754 3.968 1.00 0.00 O ATOM 862 CB LYS A 54 128.406 -25.306 4.316 1.00 0.00 C ATOM 863 CG LYS A 54 128.937 -25.863 5.658 1.00 0.00 C ATOM 864 CD LYS A 54 128.334 -27.219 6.014 1.00 0.00 C ATOM 865 CE LYS A 54 128.946 -27.804 7.270 1.00 0.00 C ATOM 866 NZ LYS A 54 128.396 -29.143 7.559 1.00 0.00 N ATOM 0 H LYS A 54 126.938 -23.801 6.184 1.00 0.00 H new ATOM 0 HA LYS A 54 126.780 -24.372 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.440 -26.110 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.095 -24.533 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.022 -25.955 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 54 128.717 -25.152 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 54 127.258 -27.112 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.482 -27.910 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.028 -27.870 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 54 128.756 -27.140 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 128.834 -29.519 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 127.367 -29.074 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 128.599 -29.781 6.763 1.00 0.00 H new ATOM 880 N GLY A 55 125.119 -25.431 5.652 1.00 0.00 N ATOM 881 CA GLY A 55 124.133 -26.357 6.124 1.00 0.00 C ATOM 882 C GLY A 55 122.816 -26.092 5.476 1.00 0.00 C ATOM 883 O GLY A 55 122.215 -25.065 5.743 1.00 0.00 O ATOM 0 H GLY A 55 125.151 -24.547 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.452 -27.377 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.036 -26.274 7.206 1.00 0.00 H new ATOM 887 N PRO A 56 122.320 -27.009 4.629 1.00 0.00 N ATOM 888 CA PRO A 56 121.087 -26.799 3.867 1.00 0.00 C ATOM 889 C PRO A 56 119.866 -26.512 4.751 1.00 0.00 C ATOM 890 O PRO A 56 118.995 -25.727 4.371 1.00 0.00 O ATOM 891 CB PRO A 56 120.913 -28.085 3.058 1.00 0.00 C ATOM 892 CG PRO A 56 122.263 -28.716 3.047 1.00 0.00 C ATOM 893 CD PRO A 56 122.914 -28.325 4.339 1.00 0.00 C ATOM 0 HA PRO A 56 121.162 -25.913 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.173 -28.742 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 56 120.568 -27.872 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.186 -29.800 2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 56 122.848 -28.370 2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 56 122.704 -29.045 5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 56 123.998 -28.265 4.242 1.00 0.00 H new ATOM 901 N GLN A 57 119.819 -27.102 5.948 1.00 0.00 N ATOM 902 CA GLN A 57 118.715 -26.819 6.862 1.00 0.00 C ATOM 903 C GLN A 57 118.771 -25.361 7.328 1.00 0.00 C ATOM 904 O GLN A 57 117.755 -24.683 7.386 1.00 0.00 O ATOM 905 CB GLN A 57 118.651 -27.837 8.048 1.00 0.00 C ATOM 906 CG GLN A 57 119.857 -27.863 9.000 1.00 0.00 C ATOM 907 CD GLN A 57 119.829 -26.767 10.059 1.00 0.00 C ATOM 908 OE1 GLN A 57 118.770 -26.345 10.509 1.00 0.00 O ATOM 909 NE2 GLN A 57 120.969 -26.283 10.428 1.00 0.00 N ATOM 0 H GLN A 57 120.514 -27.761 6.299 1.00 0.00 H new ATOM 0 HA GLN A 57 117.780 -26.953 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 57 117.759 -27.620 8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.524 -28.837 7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 57 119.896 -28.833 9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.772 -27.767 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 57 121.833 -26.656 10.035 1.00 0.00 H new ATOM 0 HE22 GLN A 57 121.005 -25.528 11.113 1.00 0.00 H new ATOM 918 N GLN A 58 119.994 -24.869 7.546 1.00 0.00 N ATOM 919 CA GLN A 58 120.240 -23.506 8.004 1.00 0.00 C ATOM 920 C GLN A 58 119.910 -22.541 6.885 1.00 0.00 C ATOM 921 O GLN A 58 119.512 -21.401 7.129 1.00 0.00 O ATOM 922 CB GLN A 58 121.707 -23.351 8.440 1.00 0.00 C ATOM 923 CG GLN A 58 122.105 -21.967 8.956 1.00 0.00 C ATOM 924 CD GLN A 58 121.377 -21.557 10.221 1.00 0.00 C ATOM 925 OE1 GLN A 58 120.321 -20.928 10.175 1.00 0.00 O ATOM 926 NE2 GLN A 58 121.919 -21.923 11.347 1.00 0.00 N ATOM 0 H GLN A 58 120.846 -25.413 7.407 1.00 0.00 H new ATOM 0 HA GLN A 58 119.607 -23.287 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 58 121.913 -24.083 9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.346 -23.600 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.179 -21.954 9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 58 121.909 -21.229 8.179 1.00 0.00 H new ATOM 0 HE21 GLN A 58 122.796 -22.444 11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.467 -21.689 12.231 1.00 0.00 H new ATOM 935 N ILE A 59 120.061 -23.023 5.656 1.00 0.00 N ATOM 936 CA ILE A 59 119.723 -22.262 4.469 1.00 0.00 C ATOM 937 C ILE A 59 118.251 -21.891 4.520 1.00 0.00 C ATOM 938 O ILE A 59 117.891 -20.749 4.314 1.00 0.00 O ATOM 939 CB ILE A 59 119.992 -23.063 3.160 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.455 -23.545 3.078 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.591 -22.273 1.921 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.509 -22.484 3.267 1.00 0.00 C ATOM 0 H ILE A 59 120.423 -23.956 5.459 1.00 0.00 H new ATOM 0 HA ILE A 59 120.353 -21.373 4.456 1.00 0.00 H new ATOM 0 HB ILE A 59 119.360 -23.951 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.605 -24.318 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.609 -24.014 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.794 -22.866 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.527 -22.040 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.164 -21.347 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.498 -22.936 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.398 -21.720 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.394 -22.028 4.251 1.00 0.00 H new ATOM 954 N HIS A 60 117.413 -22.875 4.845 1.00 0.00 N ATOM 955 CA HIS A 60 115.960 -22.662 4.965 1.00 0.00 C ATOM 956 C HIS A 60 115.664 -21.599 5.981 1.00 0.00 C ATOM 957 O HIS A 60 114.903 -20.667 5.723 1.00 0.00 O ATOM 958 CB HIS A 60 115.219 -23.951 5.365 1.00 0.00 C ATOM 959 CG HIS A 60 115.106 -24.963 4.285 1.00 0.00 C ATOM 960 ND1 HIS A 60 113.915 -25.315 3.711 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.041 -25.688 3.670 1.00 0.00 C ATOM 962 CE1 HIS A 60 114.124 -26.211 2.778 1.00 0.00 C ATOM 963 NE2 HIS A 60 115.414 -26.456 2.727 1.00 0.00 N ATOM 0 H HIS A 60 117.711 -23.833 5.032 1.00 0.00 H new ATOM 0 HA HIS A 60 115.607 -22.349 3.983 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.734 -24.401 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.217 -23.688 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.101 -25.672 3.878 1.00 0.00 H new ATOM 0 HE1 HIS A 60 113.367 -26.669 2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 60 115.871 -27.109 2.091 1.00 0.00 H new ATOM 972 N LEU A 61 116.320 -21.724 7.103 1.00 0.00 N ATOM 973 CA LEU A 61 116.121 -20.857 8.232 1.00 0.00 C ATOM 974 C LEU A 61 116.535 -19.444 7.886 1.00 0.00 C ATOM 975 O LEU A 61 115.709 -18.530 7.887 1.00 0.00 O ATOM 976 CB LEU A 61 116.969 -21.333 9.380 1.00 0.00 C ATOM 977 CG LEU A 61 117.006 -22.823 9.625 1.00 0.00 C ATOM 978 CD1 LEU A 61 117.930 -23.117 10.755 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.623 -23.395 9.866 1.00 0.00 C ATOM 0 H LEU A 61 117.022 -22.447 7.261 1.00 0.00 H new ATOM 0 HA LEU A 61 115.066 -20.873 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 61 117.990 -20.990 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.614 -20.848 10.289 1.00 0.00 H new ATOM 0 HG LEU A 61 117.382 -23.312 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 61 117.957 -24.192 10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.931 -22.765 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.579 -22.610 11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.698 -24.469 10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.179 -22.918 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.996 -23.210 8.994 1.00 0.00 H new ATOM 991 N LYS A 62 117.814 -19.272 7.590 1.00 0.00 N ATOM 992 CA LYS A 62 118.347 -17.958 7.230 1.00 0.00 C ATOM 993 C LYS A 62 117.662 -17.314 6.022 1.00 0.00 C ATOM 994 O LYS A 62 117.405 -16.105 6.050 1.00 0.00 O ATOM 995 CB LYS A 62 119.872 -17.929 7.080 1.00 0.00 C ATOM 996 CG LYS A 62 120.630 -17.968 8.397 1.00 0.00 C ATOM 997 CD LYS A 62 122.112 -17.677 8.192 1.00 0.00 C ATOM 998 CE LYS A 62 122.830 -17.517 9.522 1.00 0.00 C ATOM 999 NZ LYS A 62 124.248 -17.124 9.359 1.00 0.00 N ATOM 0 H LYS A 62 118.505 -20.022 7.591 1.00 0.00 H new ATOM 0 HA LYS A 62 118.100 -17.340 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.182 -18.778 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.155 -17.027 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.205 -17.237 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.510 -18.948 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.569 -18.487 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.229 -16.768 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.315 -16.766 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.778 -18.455 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 124.794 -17.443 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 124.633 -17.563 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 124.314 -16.089 9.279 1.00 0.00 H new ATOM 1013 N ALA A 63 117.346 -18.095 4.986 1.00 0.00 N ATOM 1014 CA ALA A 63 116.661 -17.542 3.815 1.00 0.00 C ATOM 1015 C ALA A 63 115.300 -17.013 4.209 1.00 0.00 C ATOM 1016 O ALA A 63 114.994 -15.860 3.981 1.00 0.00 O ATOM 1017 CB ALA A 63 116.525 -18.554 2.672 1.00 0.00 C ATOM 0 H ALA A 63 117.549 -19.093 4.933 1.00 0.00 H new ATOM 0 HA ALA A 63 117.279 -16.725 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.010 -18.087 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.516 -18.879 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.953 -19.416 3.015 1.00 0.00 H new ATOM 1023 N LYS A 64 114.509 -17.835 4.859 1.00 0.00 N ATOM 1024 CA LYS A 64 113.172 -17.434 5.279 1.00 0.00 C ATOM 1025 C LYS A 64 113.186 -16.319 6.317 1.00 0.00 C ATOM 1026 O LYS A 64 112.246 -15.522 6.399 1.00 0.00 O ATOM 1027 CB LYS A 64 112.378 -18.623 5.742 1.00 0.00 C ATOM 1028 CG LYS A 64 111.863 -19.466 4.591 1.00 0.00 C ATOM 1029 CD LYS A 64 111.248 -20.756 5.066 1.00 0.00 C ATOM 1030 CE LYS A 64 110.452 -21.432 3.961 1.00 0.00 C ATOM 1031 NZ LYS A 64 109.194 -20.716 3.688 1.00 0.00 N ATOM 0 H LYS A 64 114.763 -18.790 5.112 1.00 0.00 H new ATOM 0 HA LYS A 64 112.675 -17.017 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 64 113.000 -19.241 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 64 111.535 -18.281 6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 64 111.123 -18.897 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 64 112.683 -19.686 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 64 112.032 -21.428 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.596 -20.558 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 64 111.052 -21.475 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 110.232 -22.461 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.557 -21.329 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.739 -20.459 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 109.397 -19.854 3.143 1.00 0.00 H new ATOM 1045 N ALA A 65 114.239 -16.256 7.093 1.00 0.00 N ATOM 1046 CA ALA A 65 114.417 -15.174 8.048 1.00 0.00 C ATOM 1047 C ALA A 65 114.570 -13.842 7.307 1.00 0.00 C ATOM 1048 O ALA A 65 113.855 -12.872 7.587 1.00 0.00 O ATOM 1049 CB ALA A 65 115.620 -15.433 8.938 1.00 0.00 C ATOM 0 H ALA A 65 114.994 -16.942 7.087 1.00 0.00 H new ATOM 0 HA ALA A 65 113.534 -15.122 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.734 -14.611 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.474 -16.364 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.517 -15.510 8.324 1.00 0.00 H new ATOM 1055 N ILE A 66 115.464 -13.822 6.336 1.00 0.00 N ATOM 1056 CA ILE A 66 115.725 -12.631 5.525 1.00 0.00 C ATOM 1057 C ILE A 66 114.508 -12.326 4.649 1.00 0.00 C ATOM 1058 O ILE A 66 114.131 -11.176 4.451 1.00 0.00 O ATOM 1059 CB ILE A 66 117.000 -12.842 4.660 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.210 -13.039 5.573 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.237 -11.678 3.697 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.484 -13.380 4.845 1.00 0.00 C ATOM 0 H ILE A 66 116.034 -14.628 6.081 1.00 0.00 H new ATOM 0 HA ILE A 66 115.900 -11.777 6.180 1.00 0.00 H new ATOM 0 HB ILE A 66 116.853 -13.734 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.367 -12.128 6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.988 -13.834 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.138 -11.867 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.383 -11.581 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.360 -10.755 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.293 -13.503 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.348 -14.308 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.734 -12.576 4.153 1.00 0.00 H new ATOM 1074 N TYR A 67 113.891 -13.375 4.172 1.00 0.00 N ATOM 1075 CA TYR A 67 112.683 -13.310 3.384 1.00 0.00 C ATOM 1076 C TYR A 67 111.582 -12.547 4.128 1.00 0.00 C ATOM 1077 O TYR A 67 111.161 -11.481 3.687 1.00 0.00 O ATOM 1078 CB TYR A 67 112.244 -14.736 3.075 1.00 0.00 C ATOM 1079 CG TYR A 67 110.971 -14.865 2.316 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.889 -14.467 1.006 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.853 -15.397 2.914 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.724 -14.587 0.299 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.682 -15.534 2.227 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.607 -15.132 0.925 1.00 0.00 C ATOM 1085 OH TYR A 67 107.428 -15.283 0.246 1.00 0.00 O ATOM 0 H TYR A 67 114.223 -14.327 4.324 1.00 0.00 H new ATOM 0 HA TYR A 67 112.873 -12.770 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.036 -15.226 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.142 -15.278 4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.761 -14.051 0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.903 -15.712 3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.672 -14.263 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.816 -15.960 2.713 1.00 0.00 H new ATOM 0 HH TYR A 67 106.757 -15.680 0.840 1.00 0.00 H new ATOM 1095 N GLU A 68 111.186 -13.053 5.289 1.00 0.00 N ATOM 1096 CA GLU A 68 110.087 -12.466 6.050 1.00 0.00 C ATOM 1097 C GLU A 68 110.417 -11.093 6.636 1.00 0.00 C ATOM 1098 O GLU A 68 109.519 -10.323 6.953 1.00 0.00 O ATOM 1099 CB GLU A 68 109.580 -13.418 7.132 1.00 0.00 C ATOM 1100 CG GLU A 68 109.018 -14.721 6.578 1.00 0.00 C ATOM 1101 CD GLU A 68 108.380 -15.589 7.635 1.00 0.00 C ATOM 1102 OE1 GLU A 68 109.076 -16.418 8.259 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.163 -15.485 7.844 1.00 0.00 O ATOM 0 H GLU A 68 111.610 -13.871 5.726 1.00 0.00 H new ATOM 0 HA GLU A 68 109.284 -12.306 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.397 -13.646 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.807 -12.916 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.279 -14.493 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.820 -15.279 6.094 1.00 0.00 H new ATOM 1110 N LYS A 69 111.682 -10.793 6.765 1.00 0.00 N ATOM 1111 CA LYS A 69 112.106 -9.514 7.310 1.00 0.00 C ATOM 1112 C LYS A 69 112.282 -8.446 6.217 1.00 0.00 C ATOM 1113 O LYS A 69 112.082 -7.244 6.466 1.00 0.00 O ATOM 1114 CB LYS A 69 113.425 -9.697 8.075 1.00 0.00 C ATOM 1115 CG LYS A 69 114.003 -8.426 8.677 1.00 0.00 C ATOM 1116 CD LYS A 69 115.307 -8.707 9.388 1.00 0.00 C ATOM 1117 CE LYS A 69 115.896 -7.448 9.991 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.195 -7.710 10.621 1.00 0.00 N ATOM 0 H LYS A 69 112.446 -11.415 6.501 1.00 0.00 H new ATOM 0 HA LYS A 69 111.324 -9.164 7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.266 -10.420 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.163 -10.128 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.165 -7.688 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.289 -7.994 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.142 -9.445 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.018 -9.142 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.013 -6.692 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.207 -7.041 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 117.570 -6.827 11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.078 -8.414 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 117.859 -8.075 9.909 1.00 0.00 H new ATOM 1132 N PHE A 70 112.573 -8.872 5.013 1.00 0.00 N ATOM 1133 CA PHE A 70 112.990 -7.947 3.982 1.00 0.00 C ATOM 1134 C PHE A 70 112.220 -8.128 2.695 1.00 0.00 C ATOM 1135 O PHE A 70 111.616 -7.193 2.190 1.00 0.00 O ATOM 1136 CB PHE A 70 114.483 -8.118 3.683 1.00 0.00 C ATOM 1137 CG PHE A 70 115.438 -7.675 4.752 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.540 -6.338 5.095 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.257 -8.589 5.387 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.435 -5.925 6.056 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.160 -8.180 6.344 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.249 -6.844 6.679 1.00 0.00 C ATOM 0 H PHE A 70 112.530 -9.848 4.721 1.00 0.00 H new ATOM 0 HA PHE A 70 112.787 -6.947 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.670 -9.171 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.713 -7.567 2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.911 -5.611 4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.189 -9.636 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.499 -4.880 6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.797 -8.903 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.956 -6.520 7.429 1.00 0.00 H new ATOM 1152 N ILE A 71 112.259 -9.335 2.169 1.00 0.00 N ATOM 1153 CA ILE A 71 111.640 -9.673 0.877 1.00 0.00 C ATOM 1154 C ILE A 71 110.128 -9.464 0.945 1.00 0.00 C ATOM 1155 O ILE A 71 109.462 -9.206 -0.068 1.00 0.00 O ATOM 1156 CB ILE A 71 111.965 -11.154 0.499 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.476 -11.355 0.451 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.331 -11.598 -0.829 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.183 -10.443 -0.528 1.00 0.00 C ATOM 0 H ILE A 71 112.722 -10.124 2.620 1.00 0.00 H new ATOM 0 HA ILE A 71 112.048 -9.016 0.109 1.00 0.00 H new ATOM 0 HB ILE A 71 111.525 -11.780 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.887 -11.191 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.687 -12.391 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.597 -12.636 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.247 -11.508 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.699 -10.966 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.254 -10.645 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.801 -10.622 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 71 114.004 -9.404 -0.252 1.00 0.00 H new ATOM 1171 N GLN A 72 109.610 -9.562 2.144 1.00 0.00 N ATOM 1172 CA GLN A 72 108.210 -9.356 2.382 1.00 0.00 C ATOM 1173 C GLN A 72 107.838 -7.919 2.278 1.00 0.00 C ATOM 1174 O GLN A 72 108.625 -7.018 2.567 1.00 0.00 O ATOM 1175 CB GLN A 72 107.818 -9.853 3.748 1.00 0.00 C ATOM 1176 CG GLN A 72 107.788 -11.322 3.843 1.00 0.00 C ATOM 1177 CD GLN A 72 106.513 -11.939 3.342 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.443 -11.354 3.426 1.00 0.00 O ATOM 1179 NE2 GLN A 72 106.615 -13.113 2.816 1.00 0.00 N ATOM 0 H GLN A 72 110.150 -9.787 2.980 1.00 0.00 H new ATOM 0 HA GLN A 72 107.678 -9.918 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.519 -9.462 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 72 106.834 -9.458 4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 72 108.625 -11.730 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 72 107.936 -11.612 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 72 107.525 -13.571 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.786 -13.583 2.453 1.00 0.00 H new ATOM 1188 N THR A 73 106.653 -7.731 1.885 1.00 0.00 N ATOM 1189 CA THR A 73 106.050 -6.440 1.843 1.00 0.00 C ATOM 1190 C THR A 73 105.539 -6.198 3.249 1.00 0.00 C ATOM 1191 O THR A 73 105.791 -5.163 3.889 1.00 0.00 O ATOM 1192 CB THR A 73 104.875 -6.464 0.870 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.307 -7.018 -0.377 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.352 -5.073 0.650 1.00 0.00 C ATOM 0 H THR A 73 106.041 -8.483 1.570 1.00 0.00 H new ATOM 0 HA THR A 73 106.745 -5.666 1.518 1.00 0.00 H new ATOM 0 HB THR A 73 104.076 -7.076 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.555 -7.037 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.514 -5.105 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.019 -4.655 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.143 -4.448 0.236 1.00 0.00 H new ATOM 1202 N ASP A 74 104.851 -7.199 3.738 1.00 0.00 N ATOM 1203 CA ASP A 74 104.418 -7.245 5.105 1.00 0.00 C ATOM 1204 C ASP A 74 105.587 -7.766 5.923 1.00 0.00 C ATOM 1205 O ASP A 74 105.711 -8.957 6.181 1.00 0.00 O ATOM 1206 CB ASP A 74 103.198 -8.158 5.260 1.00 0.00 C ATOM 1207 CG ASP A 74 102.659 -8.188 6.668 1.00 0.00 C ATOM 1208 OD1 ASP A 74 101.873 -7.288 7.026 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.976 -9.122 7.438 1.00 0.00 O ATOM 0 H ASP A 74 104.574 -8.013 3.189 1.00 0.00 H new ATOM 0 HA ASP A 74 104.118 -6.255 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.412 -7.823 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.468 -9.170 4.959 1.00 0.00 H new ATOM 1214 N ALA A 75 106.499 -6.881 6.206 1.00 0.00 N ATOM 1215 CA ALA A 75 107.714 -7.205 6.892 1.00 0.00 C ATOM 1216 C ALA A 75 108.039 -6.108 7.871 1.00 0.00 C ATOM 1217 O ALA A 75 107.552 -4.990 7.720 1.00 0.00 O ATOM 1218 CB ALA A 75 108.852 -7.336 5.881 1.00 0.00 C ATOM 0 H ALA A 75 106.416 -5.894 5.961 1.00 0.00 H new ATOM 0 HA ALA A 75 107.592 -8.148 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.776 -7.583 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.616 -8.126 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.976 -6.393 5.349 1.00 0.00 H new ATOM 1224 N PRO A 76 108.874 -6.397 8.887 1.00 0.00 N ATOM 1225 CA PRO A 76 109.294 -5.396 9.876 1.00 0.00 C ATOM 1226 C PRO A 76 110.200 -4.335 9.251 1.00 0.00 C ATOM 1227 O PRO A 76 110.376 -3.246 9.798 1.00 0.00 O ATOM 1228 CB PRO A 76 110.081 -6.218 10.903 1.00 0.00 C ATOM 1229 CG PRO A 76 110.535 -7.421 10.158 1.00 0.00 C ATOM 1230 CD PRO A 76 109.448 -7.729 9.181 1.00 0.00 C ATOM 0 HA PRO A 76 108.448 -4.856 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.927 -5.654 11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.456 -6.492 11.753 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.478 -7.231 9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.702 -8.260 10.834 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.837 -8.207 8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.704 -8.404 9.605 1.00 0.00 H new ATOM 1238 N LYS A 77 110.787 -4.673 8.117 1.00 0.00 N ATOM 1239 CA LYS A 77 111.652 -3.766 7.403 1.00 0.00 C ATOM 1240 C LYS A 77 111.096 -3.456 6.036 1.00 0.00 C ATOM 1241 O LYS A 77 110.795 -2.289 5.746 1.00 0.00 O ATOM 1242 CB LYS A 77 113.078 -4.318 7.299 1.00 0.00 C ATOM 1243 CG LYS A 77 113.852 -4.273 8.602 1.00 0.00 C ATOM 1244 CD LYS A 77 114.080 -2.834 9.023 1.00 0.00 C ATOM 1245 CE LYS A 77 114.866 -2.738 10.307 1.00 0.00 C ATOM 1246 NZ LYS A 77 115.187 -1.337 10.637 1.00 0.00 N ATOM 0 H LYS A 77 110.675 -5.583 7.670 1.00 0.00 H new ATOM 0 HA LYS A 77 111.697 -2.837 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.033 -5.350 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.623 -3.750 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 77 113.303 -4.805 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.809 -4.781 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.612 -2.305 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 77 113.118 -2.336 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 77 114.293 -3.183 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 77 115.788 -3.312 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 115.495 -1.276 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 115.950 -1.000 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 114.342 -0.746 10.500 1.00 0.00 H new ATOM 1260 N GLU A 78 110.946 -4.509 5.216 1.00 0.00 N ATOM 1261 CA GLU A 78 110.436 -4.413 3.834 1.00 0.00 C ATOM 1262 C GLU A 78 111.446 -3.713 2.899 1.00 0.00 C ATOM 1263 O GLU A 78 111.893 -2.586 3.151 1.00 0.00 O ATOM 1264 CB GLU A 78 109.074 -3.708 3.763 1.00 0.00 C ATOM 1265 CG GLU A 78 108.581 -3.473 2.346 1.00 0.00 C ATOM 1266 CD GLU A 78 107.380 -2.587 2.292 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.320 -1.599 3.073 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.491 -2.826 1.480 1.00 0.00 O ATOM 0 H GLU A 78 111.177 -5.462 5.495 1.00 0.00 H new ATOM 0 HA GLU A 78 110.300 -5.438 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.337 -4.305 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.144 -2.750 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.382 -3.028 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.341 -4.431 1.886 1.00 0.00 H new ATOM 1275 N VAL A 79 111.781 -4.370 1.826 1.00 0.00 N ATOM 1276 CA VAL A 79 112.732 -3.833 0.862 1.00 0.00 C ATOM 1277 C VAL A 79 111.963 -3.218 -0.300 1.00 0.00 C ATOM 1278 O VAL A 79 110.835 -3.629 -0.593 1.00 0.00 O ATOM 1279 CB VAL A 79 113.671 -4.965 0.319 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.748 -4.440 -0.608 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.313 -5.697 1.442 1.00 0.00 C ATOM 0 H VAL A 79 111.412 -5.290 1.584 1.00 0.00 H new ATOM 0 HA VAL A 79 113.346 -3.078 1.354 1.00 0.00 H new ATOM 0 HB VAL A 79 113.035 -5.639 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.367 -5.268 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.284 -3.953 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.369 -3.721 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.961 -6.478 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.906 -5.003 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.544 -6.148 2.069 1.00 0.00 H new ATOM 1291 N ASN A 80 112.559 -2.245 -0.959 1.00 0.00 N ATOM 1292 CA ASN A 80 111.988 -1.607 -2.162 1.00 0.00 C ATOM 1293 C ASN A 80 112.431 -2.427 -3.386 1.00 0.00 C ATOM 1294 O ASN A 80 112.678 -1.902 -4.478 1.00 0.00 O ATOM 1295 CB ASN A 80 112.517 -0.166 -2.295 1.00 0.00 C ATOM 1296 CG ASN A 80 112.271 0.720 -1.070 1.00 0.00 C ATOM 1297 OD1 ASN A 80 113.060 1.618 -0.784 1.00 0.00 O ATOM 1298 ND2 ASN A 80 111.194 0.505 -0.356 1.00 0.00 N ATOM 0 H ASN A 80 113.463 -1.860 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 80 110.901 -1.575 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.589 -0.203 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.050 0.300 -3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 80 110.996 1.089 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 80 110.554 -0.246 -0.613 1.00 0.00 H new ATOM 1305 N LEU A 81 112.472 -3.718 -3.180 1.00 0.00 N ATOM 1306 CA LEU A 81 112.964 -4.688 -4.118 1.00 0.00 C ATOM 1307 C LEU A 81 112.037 -4.859 -5.303 1.00 0.00 C ATOM 1308 O LEU A 81 110.812 -4.780 -5.171 1.00 0.00 O ATOM 1309 CB LEU A 81 113.139 -6.027 -3.389 1.00 0.00 C ATOM 1310 CG LEU A 81 113.620 -7.218 -4.194 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.068 -7.051 -4.532 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.382 -8.511 -3.438 1.00 0.00 C ATOM 0 H LEU A 81 112.147 -4.140 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 81 113.918 -4.336 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.841 -5.872 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.181 -6.291 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 81 113.050 -7.270 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.408 -7.910 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.202 -6.142 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.650 -6.979 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.735 -9.352 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.924 -8.485 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.316 -8.627 -3.242 1.00 0.00 H new ATOM 1324 N ASP A 82 112.660 -5.049 -6.447 1.00 0.00 N ATOM 1325 CA ASP A 82 112.007 -5.358 -7.709 1.00 0.00 C ATOM 1326 C ASP A 82 110.989 -6.484 -7.555 1.00 0.00 C ATOM 1327 O ASP A 82 111.317 -7.583 -7.054 1.00 0.00 O ATOM 1328 CB ASP A 82 113.068 -5.746 -8.738 1.00 0.00 C ATOM 1329 CG ASP A 82 112.486 -6.291 -10.012 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.984 -5.498 -10.836 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.510 -7.530 -10.196 1.00 0.00 O ATOM 0 H ASP A 82 113.675 -4.991 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 82 111.466 -4.473 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.677 -4.872 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.733 -6.492 -8.302 1.00 0.00 H new ATOM 1336 N PHE A 83 109.772 -6.196 -7.976 1.00 0.00 N ATOM 1337 CA PHE A 83 108.647 -7.099 -7.882 1.00 0.00 C ATOM 1338 C PHE A 83 108.901 -8.440 -8.563 1.00 0.00 C ATOM 1339 O PHE A 83 108.545 -9.476 -8.018 1.00 0.00 O ATOM 1340 CB PHE A 83 107.369 -6.439 -8.423 1.00 0.00 C ATOM 1341 CG PHE A 83 106.141 -7.294 -8.277 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.518 -7.419 -7.049 1.00 0.00 C ATOM 1343 CD2 PHE A 83 105.613 -7.973 -9.367 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.396 -8.205 -6.904 1.00 0.00 C ATOM 1345 CE2 PHE A 83 104.490 -8.759 -9.227 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.881 -8.876 -7.995 1.00 0.00 C ATOM 0 H PHE A 83 109.535 -5.301 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 83 108.508 -7.314 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 83 107.209 -5.496 -7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.512 -6.200 -9.477 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.916 -6.894 -6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.087 -7.884 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.920 -8.296 -5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 83 104.087 -9.283 -10.081 1.00 0.00 H new ATOM 0 HZ PHE A 83 103.001 -9.493 -7.884 1.00 0.00 H new ATOM 1356 N HIS A 84 109.533 -8.439 -9.726 1.00 0.00 N ATOM 1357 CA HIS A 84 109.786 -9.706 -10.409 1.00 0.00 C ATOM 1358 C HIS A 84 110.786 -10.555 -9.622 1.00 0.00 C ATOM 1359 O HIS A 84 110.637 -11.771 -9.530 1.00 0.00 O ATOM 1360 CB HIS A 84 110.224 -9.517 -11.878 1.00 0.00 C ATOM 1361 CG HIS A 84 110.510 -10.819 -12.595 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.529 -11.689 -13.002 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.683 -11.417 -12.912 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.082 -12.760 -13.523 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.385 -12.616 -13.483 1.00 0.00 N ATOM 0 H HIS A 84 109.872 -7.606 -10.208 1.00 0.00 H new ATOM 0 HA HIS A 84 108.839 -10.244 -10.447 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.443 -8.979 -12.415 1.00 0.00 H new ATOM 0 HB3 HIS A 84 111.117 -8.893 -11.905 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.672 -11.017 -12.743 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.553 -13.615 -13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 84 112.066 -13.294 -13.825 1.00 0.00 H new ATOM 1374 N THR A 85 111.772 -9.909 -9.049 1.00 0.00 N ATOM 1375 CA THR A 85 112.755 -10.587 -8.235 1.00 0.00 C ATOM 1376 C THR A 85 112.088 -11.219 -7.009 1.00 0.00 C ATOM 1377 O THR A 85 112.199 -12.431 -6.790 1.00 0.00 O ATOM 1378 CB THR A 85 113.864 -9.617 -7.784 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.431 -8.986 -8.942 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.962 -10.358 -7.012 1.00 0.00 C ATOM 0 H THR A 85 111.917 -8.903 -9.132 1.00 0.00 H new ATOM 0 HA THR A 85 113.208 -11.372 -8.841 1.00 0.00 H new ATOM 0 HB THR A 85 113.429 -8.869 -7.122 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.769 -8.386 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.732 -9.650 -6.705 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.531 -10.830 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.405 -11.121 -7.652 1.00 0.00 H new ATOM 1388 N LYS A 86 111.346 -10.407 -6.248 1.00 0.00 N ATOM 1389 CA LYS A 86 110.678 -10.887 -5.041 1.00 0.00 C ATOM 1390 C LYS A 86 109.649 -11.959 -5.372 1.00 0.00 C ATOM 1391 O LYS A 86 109.448 -12.877 -4.594 1.00 0.00 O ATOM 1392 CB LYS A 86 110.051 -9.737 -4.238 1.00 0.00 C ATOM 1393 CG LYS A 86 108.958 -8.981 -4.961 1.00 0.00 C ATOM 1394 CD LYS A 86 108.446 -7.804 -4.164 1.00 0.00 C ATOM 1395 CE LYS A 86 107.772 -8.227 -2.870 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.273 -7.054 -2.145 1.00 0.00 N ATOM 0 H LYS A 86 111.195 -9.418 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 86 111.440 -11.341 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.643 -10.140 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.837 -9.035 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.337 -8.629 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 86 108.131 -9.659 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 86 109.276 -7.135 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.738 -7.239 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 86 106.947 -8.906 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.479 -8.774 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 106.496 -7.340 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 108.043 -6.642 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 106.926 -6.347 -2.825 1.00 0.00 H new ATOM 1410 N GLU A 87 109.029 -11.847 -6.544 1.00 0.00 N ATOM 1411 CA GLU A 87 108.091 -12.848 -7.026 1.00 0.00 C ATOM 1412 C GLU A 87 108.769 -14.206 -7.085 1.00 0.00 C ATOM 1413 O GLU A 87 108.301 -15.172 -6.480 1.00 0.00 O ATOM 1414 CB GLU A 87 107.549 -12.479 -8.408 1.00 0.00 C ATOM 1415 CG GLU A 87 106.643 -13.538 -9.006 1.00 0.00 C ATOM 1416 CD GLU A 87 106.123 -13.164 -10.357 1.00 0.00 C ATOM 1417 OE1 GLU A 87 106.812 -13.433 -11.370 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.006 -12.608 -10.439 1.00 0.00 O ATOM 0 H GLU A 87 109.164 -11.062 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 87 107.252 -12.889 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.999 -11.541 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.387 -12.306 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.191 -14.477 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.802 -13.711 -8.334 1.00 0.00 H new ATOM 1425 N VAL A 88 109.897 -14.273 -7.754 1.00 0.00 N ATOM 1426 CA VAL A 88 110.609 -15.526 -7.885 1.00 0.00 C ATOM 1427 C VAL A 88 111.073 -16.025 -6.503 1.00 0.00 C ATOM 1428 O VAL A 88 111.016 -17.225 -6.214 1.00 0.00 O ATOM 1429 CB VAL A 88 111.800 -15.425 -8.869 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.420 -16.791 -9.082 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.345 -14.837 -10.203 1.00 0.00 C ATOM 0 H VAL A 88 110.341 -13.479 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 88 109.916 -16.254 -8.307 1.00 0.00 H new ATOM 0 HB VAL A 88 112.550 -14.762 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.256 -16.707 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 88 112.777 -17.181 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.673 -17.469 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.196 -14.774 -10.882 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.579 -15.477 -10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.936 -13.840 -10.040 1.00 0.00 H new ATOM 1441 N ILE A 89 111.455 -15.088 -5.636 1.00 0.00 N ATOM 1442 CA ILE A 89 111.851 -15.425 -4.271 1.00 0.00 C ATOM 1443 C ILE A 89 110.668 -16.052 -3.522 1.00 0.00 C ATOM 1444 O ILE A 89 110.796 -17.125 -2.976 1.00 0.00 O ATOM 1445 CB ILE A 89 112.360 -14.190 -3.471 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.532 -13.521 -4.196 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.777 -14.596 -2.049 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.046 -12.277 -3.502 1.00 0.00 C ATOM 0 H ILE A 89 111.498 -14.093 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 89 112.675 -16.134 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 89 111.541 -13.474 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.348 -14.238 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.221 -13.260 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.129 -13.718 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 89 111.921 -15.024 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.577 -15.335 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.875 -11.858 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.245 -11.541 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.389 -12.535 -2.500 1.00 0.00 H new ATOM 1460 N THR A 90 109.508 -15.396 -3.561 1.00 0.00 N ATOM 1461 CA THR A 90 108.312 -15.884 -2.857 1.00 0.00 C ATOM 1462 C THR A 90 107.899 -17.304 -3.322 1.00 0.00 C ATOM 1463 O THR A 90 107.376 -18.104 -2.543 1.00 0.00 O ATOM 1464 CB THR A 90 107.101 -14.898 -2.987 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.757 -14.683 -4.365 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.398 -13.549 -2.342 1.00 0.00 C ATOM 0 H THR A 90 109.367 -14.524 -4.072 1.00 0.00 H new ATOM 0 HA THR A 90 108.588 -15.939 -1.804 1.00 0.00 H new ATOM 0 HB THR A 90 106.264 -15.364 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.526 -14.901 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.534 -12.894 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.611 -13.691 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.262 -13.096 -2.828 1.00 0.00 H new ATOM 1474 N ASN A 91 108.187 -17.623 -4.579 1.00 0.00 N ATOM 1475 CA ASN A 91 107.834 -18.931 -5.134 1.00 0.00 C ATOM 1476 C ASN A 91 108.897 -19.981 -4.870 1.00 0.00 C ATOM 1477 O ASN A 91 108.605 -21.170 -4.858 1.00 0.00 O ATOM 1478 CB ASN A 91 107.566 -18.866 -6.646 1.00 0.00 C ATOM 1479 CG ASN A 91 106.286 -18.151 -7.013 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.220 -18.760 -7.081 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.372 -16.881 -7.266 1.00 0.00 N ATOM 0 H ASN A 91 108.661 -17.000 -5.232 1.00 0.00 H new ATOM 0 HA ASN A 91 106.918 -19.222 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.403 -18.364 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.530 -19.881 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.538 -16.356 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.273 -16.408 -7.200 1.00 0.00 H new ATOM 1488 N SER A 92 110.115 -19.562 -4.651 1.00 0.00 N ATOM 1489 CA SER A 92 111.188 -20.512 -4.506 1.00 0.00 C ATOM 1490 C SER A 92 111.853 -20.428 -3.129 1.00 0.00 C ATOM 1491 O SER A 92 112.882 -21.046 -2.905 1.00 0.00 O ATOM 1492 CB SER A 92 112.214 -20.313 -5.640 1.00 0.00 C ATOM 1493 OG SER A 92 113.236 -21.315 -5.622 1.00 0.00 O ATOM 0 H SER A 92 110.388 -18.583 -4.570 1.00 0.00 H new ATOM 0 HA SER A 92 110.767 -21.514 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 92 111.701 -20.336 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 112.671 -19.328 -5.546 1.00 0.00 H new ATOM 0 HG SER A 92 113.404 -21.594 -4.698 1.00 0.00 H new ATOM 1499 N ILE A 93 111.247 -19.716 -2.202 1.00 0.00 N ATOM 1500 CA ILE A 93 111.815 -19.588 -0.855 1.00 0.00 C ATOM 1501 C ILE A 93 111.577 -20.897 -0.095 1.00 0.00 C ATOM 1502 O ILE A 93 112.253 -21.216 0.879 1.00 0.00 O ATOM 1503 CB ILE A 93 111.219 -18.371 -0.075 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.960 -18.139 1.254 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.731 -18.549 0.161 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.412 -17.703 1.096 1.00 0.00 C ATOM 0 H ILE A 93 110.369 -19.217 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 93 112.885 -19.399 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 93 111.360 -17.485 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.426 -17.381 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.931 -19.059 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.343 -17.688 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.218 -18.633 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.561 -19.454 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.859 -17.562 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.965 -18.469 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.452 -16.765 0.542 1.00 0.00 H new ATOM 1518 N THR A 94 110.586 -21.639 -0.564 1.00 0.00 N ATOM 1519 CA THR A 94 110.312 -22.970 -0.087 1.00 0.00 C ATOM 1520 C THR A 94 111.523 -23.893 -0.373 1.00 0.00 C ATOM 1521 O THR A 94 111.807 -24.817 0.390 1.00 0.00 O ATOM 1522 CB THR A 94 109.009 -23.535 -0.750 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.728 -24.866 -0.289 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.103 -23.522 -2.275 1.00 0.00 C ATOM 0 H THR A 94 109.947 -21.324 -1.294 1.00 0.00 H new ATOM 0 HA THR A 94 110.151 -22.933 0.990 1.00 0.00 H new ATOM 0 HB THR A 94 108.190 -22.880 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.910 -25.194 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.182 -23.921 -2.700 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.250 -22.499 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 94 109.945 -24.137 -2.593 1.00 0.00 H new ATOM 1532 N GLN A 95 112.274 -23.576 -1.431 1.00 0.00 N ATOM 1533 CA GLN A 95 113.441 -24.335 -1.835 1.00 0.00 C ATOM 1534 C GLN A 95 114.651 -23.391 -1.912 1.00 0.00 C ATOM 1535 O GLN A 95 115.108 -23.026 -3.019 1.00 0.00 O ATOM 1536 CB GLN A 95 113.225 -24.979 -3.208 1.00 0.00 C ATOM 1537 CG GLN A 95 112.058 -25.939 -3.304 1.00 0.00 C ATOM 1538 CD GLN A 95 111.906 -26.494 -4.702 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.244 -25.834 -5.687 1.00 0.00 O ATOM 1540 NE2 GLN A 95 111.464 -27.709 -4.813 1.00 0.00 N ATOM 0 H GLN A 95 112.080 -22.775 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 95 113.615 -25.123 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.082 -24.187 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.134 -25.512 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.202 -26.759 -2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.141 -25.427 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.192 -28.231 -3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.389 -28.142 -5.733 1.00 0.00 H new ATOM 1549 N PRO A 96 115.151 -22.928 -0.767 1.00 0.00 N ATOM 1550 CA PRO A 96 116.231 -21.976 -0.730 1.00 0.00 C ATOM 1551 C PRO A 96 117.583 -22.573 -1.099 1.00 0.00 C ATOM 1552 O PRO A 96 117.861 -23.774 -0.884 1.00 0.00 O ATOM 1553 CB PRO A 96 116.231 -21.487 0.710 1.00 0.00 C ATOM 1554 CG PRO A 96 115.704 -22.631 1.479 1.00 0.00 C ATOM 1555 CD PRO A 96 114.701 -23.288 0.586 1.00 0.00 C ATOM 0 HA PRO A 96 116.082 -21.185 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.234 -21.214 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.605 -20.603 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.502 -23.323 1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.243 -22.299 2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.685 -24.369 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.692 -22.926 0.782 1.00 0.00 H new ATOM 1563 N THR A 97 118.383 -21.726 -1.627 1.00 0.00 N ATOM 1564 CA THR A 97 119.715 -21.982 -2.053 1.00 0.00 C ATOM 1565 C THR A 97 120.607 -21.062 -1.286 1.00 0.00 C ATOM 1566 O THR A 97 120.098 -20.145 -0.643 1.00 0.00 O ATOM 1567 CB THR A 97 119.838 -21.729 -3.567 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.137 -20.498 -3.929 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.263 -22.892 -4.332 1.00 0.00 C ATOM 0 H THR A 97 118.106 -20.758 -1.787 1.00 0.00 H new ATOM 0 HA THR A 97 119.996 -23.019 -1.869 1.00 0.00 H new ATOM 0 HB THR A 97 120.892 -21.623 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.222 -20.345 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.354 -22.705 -5.402 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.807 -23.801 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.211 -23.013 -4.073 1.00 0.00 H new ATOM 1577 N LEU A 98 121.905 -21.280 -1.392 1.00 0.00 N ATOM 1578 CA LEU A 98 122.946 -20.578 -0.613 1.00 0.00 C ATOM 1579 C LEU A 98 122.732 -19.056 -0.566 1.00 0.00 C ATOM 1580 O LEU A 98 123.039 -18.410 0.420 1.00 0.00 O ATOM 1581 CB LEU A 98 124.310 -20.914 -1.192 1.00 0.00 C ATOM 1582 CG LEU A 98 125.428 -21.014 -0.185 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.099 -22.123 0.796 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.740 -21.299 -0.887 1.00 0.00 C ATOM 0 H LEU A 98 122.291 -21.969 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 98 122.882 -20.923 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.237 -21.862 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.572 -20.154 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 98 125.530 -20.070 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.899 -22.208 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.162 -21.893 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.999 -23.066 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.540 -21.369 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.665 -22.241 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 98 126.961 -20.493 -1.586 1.00 0.00 H new ATOM 1596 N HIS A 99 122.249 -18.503 -1.647 1.00 0.00 N ATOM 1597 CA HIS A 99 121.785 -17.146 -1.671 1.00 0.00 C ATOM 1598 C HIS A 99 120.695 -16.970 -2.669 1.00 0.00 C ATOM 1599 O HIS A 99 120.910 -16.558 -3.773 1.00 0.00 O ATOM 1600 CB HIS A 99 122.890 -16.029 -1.692 1.00 0.00 C ATOM 1601 CG HIS A 99 123.857 -16.000 -2.847 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.799 -15.007 -2.989 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.031 -16.822 -3.908 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.495 -15.213 -4.077 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.052 -16.303 -4.650 1.00 0.00 N ATOM 0 H HIS A 99 122.167 -18.987 -2.541 1.00 0.00 H new ATOM 0 HA HIS A 99 121.351 -16.973 -0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.386 -15.063 -1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 99 123.471 -16.120 -0.774 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.934 -14.229 -2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 99 123.469 -17.718 -4.126 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.299 -14.590 -4.441 1.00 0.00 H new ATOM 1614 N SER A 100 119.494 -17.358 -2.251 1.00 0.00 N ATOM 1615 CA SER A 100 118.265 -17.230 -3.043 1.00 0.00 C ATOM 1616 C SER A 100 117.926 -15.769 -3.317 1.00 0.00 C ATOM 1617 O SER A 100 117.058 -15.451 -4.123 1.00 0.00 O ATOM 1618 CB SER A 100 117.129 -17.920 -2.296 1.00 0.00 C ATOM 1619 OG SER A 100 117.456 -19.267 -2.133 1.00 0.00 O ATOM 0 H SER A 100 119.340 -17.779 -1.335 1.00 0.00 H new ATOM 0 HA SER A 100 118.413 -17.707 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 100 116.973 -17.449 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.196 -17.822 -2.852 1.00 0.00 H new ATOM 0 HG SER A 100 117.979 -19.572 -2.903 1.00 0.00 H new ATOM 1625 N PHE A 101 118.634 -14.901 -2.652 1.00 0.00 N ATOM 1626 CA PHE A 101 118.470 -13.494 -2.808 1.00 0.00 C ATOM 1627 C PHE A 101 119.553 -12.974 -3.744 1.00 0.00 C ATOM 1628 O PHE A 101 119.741 -11.789 -3.852 1.00 0.00 O ATOM 1629 CB PHE A 101 118.606 -12.812 -1.452 1.00 0.00 C ATOM 1630 CG PHE A 101 117.849 -13.496 -0.357 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.498 -13.282 -0.175 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.502 -14.376 0.489 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.820 -13.933 0.833 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.827 -15.021 1.486 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.488 -14.796 1.655 1.00 0.00 C ATOM 0 H PHE A 101 119.352 -15.161 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 101 117.485 -13.281 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.661 -12.769 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.256 -11.783 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.969 -12.601 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.559 -14.555 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.763 -13.761 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.348 -15.706 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.955 -15.305 2.445 1.00 0.00 H new ATOM 1645 N ASP A 102 120.281 -13.894 -4.395 1.00 0.00 N ATOM 1646 CA ASP A 102 121.355 -13.534 -5.371 1.00 0.00 C ATOM 1647 C ASP A 102 120.928 -12.447 -6.385 1.00 0.00 C ATOM 1648 O ASP A 102 121.675 -11.491 -6.609 1.00 0.00 O ATOM 1649 CB ASP A 102 121.930 -14.776 -6.111 1.00 0.00 C ATOM 1650 CG ASP A 102 120.951 -15.476 -7.042 1.00 0.00 C ATOM 1651 OD1 ASP A 102 120.062 -16.226 -6.559 1.00 0.00 O ATOM 1652 OD2 ASP A 102 121.058 -15.301 -8.269 1.00 0.00 O ATOM 0 H ASP A 102 120.155 -14.899 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 102 122.151 -13.106 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.800 -14.466 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.280 -15.494 -5.369 1.00 0.00 H new ATOM 1657 N ALA A 103 119.728 -12.558 -6.956 1.00 0.00 N ATOM 1658 CA ALA A 103 119.250 -11.548 -7.907 1.00 0.00 C ATOM 1659 C ALA A 103 118.880 -10.268 -7.177 1.00 0.00 C ATOM 1660 O ALA A 103 119.098 -9.155 -7.663 1.00 0.00 O ATOM 1661 CB ALA A 103 118.047 -12.057 -8.695 1.00 0.00 C ATOM 0 H ALA A 103 119.077 -13.323 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 103 120.059 -11.342 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.716 -11.287 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.328 -12.952 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.236 -12.297 -8.007 1.00 0.00 H new ATOM 1667 N ALA A 104 118.371 -10.439 -5.980 1.00 0.00 N ATOM 1668 CA ALA A 104 117.912 -9.342 -5.158 1.00 0.00 C ATOM 1669 C ALA A 104 119.085 -8.538 -4.606 1.00 0.00 C ATOM 1670 O ALA A 104 118.961 -7.340 -4.350 1.00 0.00 O ATOM 1671 CB ALA A 104 117.007 -9.868 -4.062 1.00 0.00 C ATOM 0 H ALA A 104 118.262 -11.354 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 104 117.330 -8.654 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.663 -9.038 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.148 -10.368 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.558 -10.576 -3.444 1.00 0.00 H new ATOM 1677 N GLN A 105 120.222 -9.198 -4.473 1.00 0.00 N ATOM 1678 CA GLN A 105 121.469 -8.585 -4.050 1.00 0.00 C ATOM 1679 C GLN A 105 121.828 -7.486 -5.042 1.00 0.00 C ATOM 1680 O GLN A 105 122.184 -6.369 -4.654 1.00 0.00 O ATOM 1681 CB GLN A 105 122.564 -9.690 -3.958 1.00 0.00 C ATOM 1682 CG GLN A 105 123.953 -9.280 -3.427 1.00 0.00 C ATOM 1683 CD GLN A 105 124.911 -8.717 -4.467 1.00 0.00 C ATOM 1684 OE1 GLN A 105 125.650 -9.467 -5.092 1.00 0.00 O ATOM 1685 NE2 GLN A 105 124.948 -7.421 -4.627 1.00 0.00 N ATOM 0 H GLN A 105 120.306 -10.197 -4.660 1.00 0.00 H new ATOM 0 HA GLN A 105 121.380 -8.128 -3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.183 -10.487 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.697 -10.114 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.818 -8.536 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.417 -10.151 -2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 105 124.319 -6.823 -4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.606 -7.007 -5.288 1.00 0.00 H new ATOM 1694 N SER A 106 121.669 -7.791 -6.310 1.00 0.00 N ATOM 1695 CA SER A 106 121.937 -6.855 -7.368 1.00 0.00 C ATOM 1696 C SER A 106 120.867 -5.745 -7.399 1.00 0.00 C ATOM 1697 O SER A 106 121.183 -4.577 -7.638 1.00 0.00 O ATOM 1698 CB SER A 106 121.973 -7.606 -8.685 1.00 0.00 C ATOM 1699 OG SER A 106 122.886 -8.694 -8.609 1.00 0.00 O ATOM 0 H SER A 106 121.348 -8.703 -6.634 1.00 0.00 H new ATOM 0 HA SER A 106 122.901 -6.375 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.977 -7.975 -8.928 1.00 0.00 H new ATOM 0 HB3 SER A 106 122.268 -6.931 -9.488 1.00 0.00 H new ATOM 0 HG SER A 106 122.898 -9.171 -9.465 1.00 0.00 H new ATOM 1705 N ARG A 107 119.616 -6.113 -7.101 1.00 0.00 N ATOM 1706 CA ARG A 107 118.505 -5.159 -7.093 1.00 0.00 C ATOM 1707 C ARG A 107 118.725 -4.091 -6.043 1.00 0.00 C ATOM 1708 O ARG A 107 118.625 -2.902 -6.320 1.00 0.00 O ATOM 1709 CB ARG A 107 117.179 -5.854 -6.824 1.00 0.00 C ATOM 1710 CG ARG A 107 116.798 -6.931 -7.816 1.00 0.00 C ATOM 1711 CD ARG A 107 116.677 -6.393 -9.225 1.00 0.00 C ATOM 1712 NE ARG A 107 116.341 -7.454 -10.174 1.00 0.00 N ATOM 1713 CZ ARG A 107 116.525 -7.398 -11.494 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.828 -6.251 -12.082 1.00 0.00 N ATOM 1715 NH2 ARG A 107 116.326 -8.467 -12.228 1.00 0.00 N ATOM 0 H ARG A 107 119.349 -7.068 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 107 118.468 -4.699 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.216 -6.297 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.390 -5.102 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.546 -7.724 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.850 -7.379 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.910 -5.619 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.616 -5.924 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 107 115.932 -8.308 -9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 107 116.922 -5.402 -11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 107 116.967 -6.217 -13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 107 116.031 -9.339 -11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 107 116.466 -8.426 -13.237 1.00 0.00 H new ATOM 1729 N VAL A 108 119.068 -4.517 -4.852 1.00 0.00 N ATOM 1730 CA VAL A 108 119.289 -3.595 -3.751 1.00 0.00 C ATOM 1731 C VAL A 108 120.570 -2.785 -3.975 1.00 0.00 C ATOM 1732 O VAL A 108 120.658 -1.612 -3.600 1.00 0.00 O ATOM 1733 CB VAL A 108 119.303 -4.338 -2.402 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.532 -3.379 -1.258 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.980 -5.051 -2.215 1.00 0.00 C ATOM 0 H VAL A 108 119.202 -5.500 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 108 118.458 -2.890 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 108 120.119 -5.060 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.537 -3.930 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.491 -2.877 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.734 -2.637 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.983 -5.579 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.170 -4.322 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.834 -5.765 -3.025 1.00 0.00 H new ATOM 1745 N TYR A 109 121.537 -3.410 -4.613 1.00 0.00 N ATOM 1746 CA TYR A 109 122.759 -2.741 -5.022 1.00 0.00 C ATOM 1747 C TYR A 109 122.425 -1.559 -5.950 1.00 0.00 C ATOM 1748 O TYR A 109 122.833 -0.429 -5.693 1.00 0.00 O ATOM 1749 CB TYR A 109 123.699 -3.774 -5.689 1.00 0.00 C ATOM 1750 CG TYR A 109 124.850 -3.234 -6.533 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.665 -2.918 -7.878 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.113 -3.064 -5.999 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.701 -2.447 -8.651 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.161 -2.597 -6.772 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.945 -2.289 -8.096 1.00 0.00 C ATOM 1756 OH TYR A 109 127.985 -1.827 -8.871 1.00 0.00 O ATOM 0 H TYR A 109 121.500 -4.398 -4.864 1.00 0.00 H new ATOM 0 HA TYR A 109 123.278 -2.327 -4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.122 -4.401 -4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.092 -4.422 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.689 -3.045 -8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.285 -3.300 -4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.535 -2.203 -9.690 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.143 -2.475 -6.339 1.00 0.00 H new ATOM 0 HH TYR A 109 128.330 -0.992 -8.492 1.00 0.00 H new ATOM 1766 N GLN A 110 121.629 -1.811 -6.985 1.00 0.00 N ATOM 1767 CA GLN A 110 121.257 -0.753 -7.917 1.00 0.00 C ATOM 1768 C GLN A 110 120.315 0.259 -7.266 1.00 0.00 C ATOM 1769 O GLN A 110 120.342 1.440 -7.603 1.00 0.00 O ATOM 1770 CB GLN A 110 120.731 -1.321 -9.257 1.00 0.00 C ATOM 1771 CG GLN A 110 119.464 -2.169 -9.197 1.00 0.00 C ATOM 1772 CD GLN A 110 118.190 -1.396 -9.494 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.788 -1.268 -10.645 1.00 0.00 O ATOM 1774 NE2 GLN A 110 117.518 -0.939 -8.484 1.00 0.00 N ATOM 0 H GLN A 110 121.234 -2.727 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 110 122.160 -0.199 -8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.548 -0.485 -9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.522 -1.924 -9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.554 -2.989 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.384 -2.615 -8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.876 -1.060 -7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 110 116.631 -0.459 -8.637 1.00 0.00 H new ATOM 1783 N LEU A 111 119.492 -0.214 -6.317 1.00 0.00 N ATOM 1784 CA LEU A 111 118.627 0.676 -5.508 1.00 0.00 C ATOM 1785 C LEU A 111 119.465 1.730 -4.816 1.00 0.00 C ATOM 1786 O LEU A 111 119.252 2.925 -4.993 1.00 0.00 O ATOM 1787 CB LEU A 111 117.854 -0.092 -4.420 1.00 0.00 C ATOM 1788 CG LEU A 111 116.716 -1.002 -4.854 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.150 -1.724 -3.636 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.622 -0.194 -5.541 1.00 0.00 C ATOM 0 H LEU A 111 119.403 -1.204 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 111 117.916 1.128 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.572 -0.697 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 111 117.448 0.639 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 111 117.098 -1.736 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.334 -2.377 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.934 -2.320 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.777 -0.992 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.815 -0.860 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 111 115.234 0.554 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 111 116.034 0.303 -6.420 1.00 0.00 H new ATOM 1802 N MET A 112 120.441 1.273 -4.051 1.00 0.00 N ATOM 1803 CA MET A 112 121.313 2.161 -3.298 1.00 0.00 C ATOM 1804 C MET A 112 122.156 3.023 -4.206 1.00 0.00 C ATOM 1805 O MET A 112 122.497 4.133 -3.851 1.00 0.00 O ATOM 1806 CB MET A 112 122.200 1.390 -2.330 1.00 0.00 C ATOM 1807 CG MET A 112 121.455 0.761 -1.168 1.00 0.00 C ATOM 1808 SD MET A 112 122.536 -0.184 -0.084 1.00 0.00 S ATOM 1809 CE MET A 112 123.115 -1.434 -1.215 1.00 0.00 C ATOM 0 H MET A 112 120.652 0.282 -3.934 1.00 0.00 H new ATOM 0 HA MET A 112 120.663 2.816 -2.718 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.722 0.606 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.961 2.064 -1.937 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.962 1.543 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.672 0.108 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.092 -2.407 -0.725 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.471 -1.455 -2.094 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.136 -1.205 -1.519 1.00 0.00 H new ATOM 1819 N GLU A 113 122.474 2.512 -5.375 1.00 0.00 N ATOM 1820 CA GLU A 113 123.254 3.240 -6.358 1.00 0.00 C ATOM 1821 C GLU A 113 122.476 4.494 -6.800 1.00 0.00 C ATOM 1822 O GLU A 113 122.855 5.625 -6.471 1.00 0.00 O ATOM 1823 CB GLU A 113 123.564 2.299 -7.557 1.00 0.00 C ATOM 1824 CG GLU A 113 124.579 2.792 -8.609 1.00 0.00 C ATOM 1825 CD GLU A 113 124.127 3.985 -9.426 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.087 3.903 -10.107 1.00 0.00 O ATOM 1827 OE2 GLU A 113 124.801 5.025 -9.404 1.00 0.00 O ATOM 0 H GLU A 113 122.199 1.576 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 113 124.201 3.569 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.929 1.353 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.625 2.087 -8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 113 125.509 3.049 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 113 124.804 1.970 -9.288 1.00 0.00 H new ATOM 1834 N GLN A 114 121.357 4.276 -7.456 1.00 0.00 N ATOM 1835 CA GLN A 114 120.576 5.359 -8.036 1.00 0.00 C ATOM 1836 C GLN A 114 119.953 6.271 -6.982 1.00 0.00 C ATOM 1837 O GLN A 114 119.756 7.455 -7.225 1.00 0.00 O ATOM 1838 CB GLN A 114 119.512 4.800 -8.992 1.00 0.00 C ATOM 1839 CG GLN A 114 118.520 3.843 -8.345 1.00 0.00 C ATOM 1840 CD GLN A 114 117.629 3.169 -9.356 1.00 0.00 C ATOM 1841 OE1 GLN A 114 116.550 3.664 -9.693 1.00 0.00 O ATOM 1842 NE2 GLN A 114 118.075 2.056 -9.869 1.00 0.00 N ATOM 0 H GLN A 114 120.960 3.348 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 114 121.265 5.983 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 114 118.961 5.633 -9.429 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.013 4.284 -9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.065 3.085 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 114 117.905 4.390 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 114 118.972 1.678 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 114 117.527 1.564 -10.574 1.00 0.00 H new ATOM 1851 N ASP A 115 119.667 5.729 -5.827 1.00 0.00 N ATOM 1852 CA ASP A 115 119.032 6.505 -4.771 1.00 0.00 C ATOM 1853 C ASP A 115 120.033 7.181 -3.856 1.00 0.00 C ATOM 1854 O ASP A 115 119.991 8.388 -3.663 1.00 0.00 O ATOM 1855 CB ASP A 115 118.107 5.625 -3.930 1.00 0.00 C ATOM 1856 CG ASP A 115 117.485 6.358 -2.756 1.00 0.00 C ATOM 1857 OD1 ASP A 115 118.112 6.415 -1.665 1.00 0.00 O ATOM 1858 OD2 ASP A 115 116.354 6.866 -2.895 1.00 0.00 O ATOM 0 H ASP A 115 119.859 4.757 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 115 118.456 7.282 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.314 5.232 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.670 4.769 -3.558 1.00 0.00 H new ATOM 1863 N SER A 116 120.924 6.412 -3.293 1.00 0.00 N ATOM 1864 CA SER A 116 121.778 6.919 -2.255 1.00 0.00 C ATOM 1865 C SER A 116 123.198 7.281 -2.731 1.00 0.00 C ATOM 1866 O SER A 116 123.764 8.229 -2.242 1.00 0.00 O ATOM 1867 CB SER A 116 121.823 5.914 -1.111 1.00 0.00 C ATOM 1868 OG SER A 116 120.509 5.578 -0.678 1.00 0.00 O ATOM 0 H SER A 116 121.077 5.433 -3.535 1.00 0.00 H new ATOM 0 HA SER A 116 121.346 7.860 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.345 5.013 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.389 6.330 -0.278 1.00 0.00 H new ATOM 0 HG SER A 116 119.858 6.149 -1.136 1.00 0.00 H new ATOM 1874 N TYR A 117 123.742 6.558 -3.702 1.00 0.00 N ATOM 1875 CA TYR A 117 125.137 6.754 -4.149 1.00 0.00 C ATOM 1876 C TYR A 117 125.363 8.131 -4.750 1.00 0.00 C ATOM 1877 O TYR A 117 126.396 8.756 -4.523 1.00 0.00 O ATOM 1878 CB TYR A 117 125.526 5.639 -5.116 1.00 0.00 C ATOM 1879 CG TYR A 117 126.850 5.789 -5.834 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.053 5.923 -5.156 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.882 5.756 -7.210 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.245 6.024 -5.852 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.056 5.858 -7.902 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.229 5.992 -7.231 1.00 0.00 C ATOM 1885 OH TYR A 117 130.400 6.077 -7.939 1.00 0.00 O ATOM 0 H TYR A 117 123.244 5.823 -4.205 1.00 0.00 H new ATOM 0 HA TYR A 117 125.787 6.702 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.544 4.700 -4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.741 5.551 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.059 5.949 -4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.957 5.647 -7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.179 6.127 -5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.051 5.832 -8.982 1.00 0.00 H new ATOM 0 HH TYR A 117 131.146 6.222 -7.321 1.00 0.00 H new ATOM 1895 N THR A 118 124.395 8.600 -5.464 1.00 0.00 N ATOM 1896 CA THR A 118 124.424 9.903 -6.086 1.00 0.00 C ATOM 1897 C THR A 118 124.586 11.014 -5.014 1.00 0.00 C ATOM 1898 O THR A 118 125.557 11.828 -5.014 1.00 0.00 O ATOM 1899 CB THR A 118 123.101 10.060 -6.836 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.059 9.524 -5.996 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.131 9.276 -8.133 1.00 0.00 C ATOM 0 H THR A 118 123.534 8.082 -5.642 1.00 0.00 H new ATOM 0 HA THR A 118 125.269 9.994 -6.768 1.00 0.00 H new ATOM 0 HB THR A 118 122.929 11.111 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.459 8.966 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.182 9.399 -8.654 1.00 0.00 H new ATOM 0 HG22 THR A 118 123.941 9.645 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.292 8.220 -7.916 1.00 0.00 H new ATOM 1909 N ARG A 119 123.685 11.004 -4.078 1.00 0.00 N ATOM 1910 CA ARG A 119 123.703 11.948 -2.996 1.00 0.00 C ATOM 1911 C ARG A 119 124.843 11.652 -2.006 1.00 0.00 C ATOM 1912 O ARG A 119 125.317 12.541 -1.324 1.00 0.00 O ATOM 1913 CB ARG A 119 122.323 12.059 -2.349 1.00 0.00 C ATOM 1914 CG ARG A 119 121.675 10.735 -2.029 1.00 0.00 C ATOM 1915 CD ARG A 119 120.275 10.926 -1.502 1.00 0.00 C ATOM 1916 NE ARG A 119 119.643 9.650 -1.166 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.317 9.285 0.073 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.561 10.107 1.076 1.00 0.00 N ATOM 1919 NH2 ARG A 119 118.732 8.123 0.306 1.00 0.00 N ATOM 0 H ARG A 119 122.913 10.339 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 119 123.925 12.938 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.412 12.637 -1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 119 121.667 12.619 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.648 10.115 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 119 122.275 10.203 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.303 11.562 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.673 11.445 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 119 119.440 9.001 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.995 11.013 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.315 9.837 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.524 7.492 -0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 119 118.488 7.857 1.260 1.00 0.00 H new ATOM 1933 N PHE A 120 125.296 10.403 -1.968 1.00 0.00 N ATOM 1934 CA PHE A 120 126.487 10.038 -1.208 1.00 0.00 C ATOM 1935 C PHE A 120 127.689 10.759 -1.783 1.00 0.00 C ATOM 1936 O PHE A 120 128.509 11.268 -1.052 1.00 0.00 O ATOM 1937 CB PHE A 120 126.722 8.508 -1.200 1.00 0.00 C ATOM 1938 CG PHE A 120 128.100 8.085 -0.732 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.436 8.054 0.617 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.069 7.738 -1.663 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.712 7.677 1.015 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.332 7.371 -1.267 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.654 7.339 0.070 1.00 0.00 C ATOM 0 H PHE A 120 124.855 9.624 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 120 126.338 10.342 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 120 125.975 8.042 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.560 8.123 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.700 8.325 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.826 7.757 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.965 7.649 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.073 7.107 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.647 7.048 0.379 1.00 0.00 H new ATOM 1953 N LEU A 121 127.762 10.833 -3.090 1.00 0.00 N ATOM 1954 CA LEU A 121 128.844 11.547 -3.746 1.00 0.00 C ATOM 1955 C LEU A 121 128.819 13.022 -3.385 1.00 0.00 C ATOM 1956 O LEU A 121 129.851 13.676 -3.345 1.00 0.00 O ATOM 1957 CB LEU A 121 128.811 11.336 -5.262 1.00 0.00 C ATOM 1958 CG LEU A 121 129.058 9.898 -5.714 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.953 9.774 -7.225 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.421 9.432 -5.233 1.00 0.00 C ATOM 0 H LEU A 121 127.087 10.409 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 121 129.786 11.135 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.840 11.659 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.561 11.980 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 121 128.290 9.261 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.133 8.740 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 121 127.955 10.074 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.695 10.419 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.591 8.406 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.194 10.077 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.458 9.478 -4.145 1.00 0.00 H new ATOM 1972 N LYS A 122 127.644 13.538 -3.108 1.00 0.00 N ATOM 1973 CA LYS A 122 127.533 14.924 -2.669 1.00 0.00 C ATOM 1974 C LYS A 122 127.378 15.036 -1.104 1.00 0.00 C ATOM 1975 O LYS A 122 127.156 16.122 -0.557 1.00 0.00 O ATOM 1976 CB LYS A 122 126.386 15.619 -3.442 1.00 0.00 C ATOM 1977 CG LYS A 122 126.243 17.129 -3.210 1.00 0.00 C ATOM 1978 CD LYS A 122 127.538 17.898 -3.497 1.00 0.00 C ATOM 1979 CE LYS A 122 127.992 17.763 -4.939 1.00 0.00 C ATOM 1980 NZ LYS A 122 129.217 18.546 -5.196 1.00 0.00 N ATOM 0 H LYS A 122 126.760 13.034 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 122 128.460 15.447 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.535 15.447 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 122 125.446 15.138 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 122 125.447 17.516 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 122 125.941 17.307 -2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 122 127.389 18.952 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 122 128.326 17.534 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.176 16.713 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 122 127.197 18.100 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 129.500 18.432 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 129.034 19.551 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 129.982 18.208 -4.577 1.00 0.00 H new ATOM 1994 N SER A 123 127.507 13.931 -0.396 1.00 0.00 N ATOM 1995 CA SER A 123 127.418 13.963 1.065 1.00 0.00 C ATOM 1996 C SER A 123 128.722 14.464 1.668 1.00 0.00 C ATOM 1997 O SER A 123 129.795 14.274 1.091 1.00 0.00 O ATOM 1998 CB SER A 123 127.118 12.580 1.639 1.00 0.00 C ATOM 1999 OG SER A 123 128.225 11.697 1.479 1.00 0.00 O ATOM 0 H SER A 123 127.672 13.007 -0.795 1.00 0.00 H new ATOM 0 HA SER A 123 126.602 14.639 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.873 12.669 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.242 12.161 1.143 1.00 0.00 H new ATOM 0 HG SER A 123 128.572 11.770 0.566 1.00 0.00 H new ATOM 2005 N ASP A 124 128.634 15.048 2.847 1.00 0.00 N ATOM 2006 CA ASP A 124 129.802 15.563 3.558 1.00 0.00 C ATOM 2007 C ASP A 124 130.708 14.435 4.002 1.00 0.00 C ATOM 2008 O ASP A 124 131.861 14.673 4.301 1.00 0.00 O ATOM 2009 CB ASP A 124 129.421 16.392 4.794 1.00 0.00 C ATOM 2010 CG ASP A 124 128.888 15.550 5.932 1.00 0.00 C ATOM 2011 OD1 ASP A 124 127.696 15.174 5.894 1.00 0.00 O ATOM 2012 OD2 ASP A 124 129.646 15.251 6.884 1.00 0.00 O ATOM 0 H ASP A 124 127.754 15.182 3.344 1.00 0.00 H new ATOM 0 HA ASP A 124 130.321 16.209 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 124 130.296 16.944 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 124 128.669 17.129 4.512 1.00 0.00 H new ATOM 2017 N ILE A 125 130.199 13.207 4.067 1.00 0.00 N ATOM 2018 CA ILE A 125 131.047 12.111 4.463 1.00 0.00 C ATOM 2019 C ILE A 125 131.999 11.806 3.294 1.00 0.00 C ATOM 2020 O ILE A 125 133.216 11.735 3.473 1.00 0.00 O ATOM 2021 CB ILE A 125 130.225 10.838 4.978 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.078 9.898 5.873 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.568 10.038 3.859 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.242 9.188 5.204 1.00 0.00 C ATOM 0 H ILE A 125 129.232 12.960 3.856 1.00 0.00 H new ATOM 0 HA ILE A 125 131.637 12.396 5.334 1.00 0.00 H new ATOM 0 HB ILE A 125 129.425 11.262 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 125 131.470 10.484 6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 125 130.418 9.142 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.029 9.191 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 125 128.870 10.676 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.334 9.674 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 125 132.756 8.564 5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 125 131.869 8.564 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 125 132.937 9.926 4.805 1.00 0.00 H new ATOM 2036 N TYR A 126 131.456 11.751 2.083 1.00 0.00 N ATOM 2037 CA TYR A 126 132.273 11.494 0.926 1.00 0.00 C ATOM 2038 C TYR A 126 133.082 12.734 0.560 1.00 0.00 C ATOM 2039 O TYR A 126 134.233 12.631 0.141 1.00 0.00 O ATOM 2040 CB TYR A 126 131.444 10.994 -0.256 1.00 0.00 C ATOM 2041 CG TYR A 126 132.268 10.701 -1.487 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.161 9.643 -1.507 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.189 11.509 -2.603 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.939 9.392 -2.607 1.00 0.00 C ATOM 2045 CE2 TYR A 126 132.964 11.276 -3.703 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.834 10.216 -3.709 1.00 0.00 C ATOM 2047 OH TYR A 126 134.627 9.999 -4.808 1.00 0.00 O ATOM 0 H TYR A 126 130.463 11.881 1.888 1.00 0.00 H new ATOM 0 HA TYR A 126 132.970 10.695 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.912 10.090 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.689 11.741 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.246 9.004 -0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.501 12.342 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.626 8.559 -2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.892 11.924 -4.564 1.00 0.00 H new ATOM 0 HH TYR A 126 135.342 9.370 -4.577 1.00 0.00 H new ATOM 2057 N LEU A 127 132.503 13.904 0.763 1.00 0.00 N ATOM 2058 CA LEU A 127 133.199 15.152 0.496 1.00 0.00 C ATOM 2059 C LEU A 127 134.307 15.383 1.507 1.00 0.00 C ATOM 2060 O LEU A 127 135.232 16.158 1.263 1.00 0.00 O ATOM 2061 CB LEU A 127 132.241 16.346 0.439 1.00 0.00 C ATOM 2062 CG LEU A 127 131.182 16.291 -0.668 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.327 17.542 -0.668 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.824 16.078 -2.028 1.00 0.00 C ATOM 0 H LEU A 127 131.551 14.017 1.112 1.00 0.00 H new ATOM 0 HA LEU A 127 133.653 15.063 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.733 16.428 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.829 17.255 0.311 1.00 0.00 H new ATOM 0 HG LEU A 127 130.533 15.439 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.585 17.475 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.822 17.637 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 127 130.959 18.415 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.050 16.043 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.508 16.900 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.376 15.138 -2.027 1.00 0.00 H new ATOM 2076 N ASP A 128 134.229 14.707 2.630 1.00 0.00 N ATOM 2077 CA ASP A 128 135.288 14.767 3.619 1.00 0.00 C ATOM 2078 C ASP A 128 136.429 13.886 3.166 1.00 0.00 C ATOM 2079 O ASP A 128 137.583 14.218 3.361 1.00 0.00 O ATOM 2080 CB ASP A 128 134.810 14.330 4.995 1.00 0.00 C ATOM 2081 CG ASP A 128 135.856 14.535 6.055 1.00 0.00 C ATOM 2082 OD1 ASP A 128 135.914 15.642 6.642 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.626 13.597 6.339 1.00 0.00 O ATOM 0 H ASP A 128 133.444 14.108 2.884 1.00 0.00 H new ATOM 0 HA ASP A 128 135.617 15.803 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.913 14.890 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.531 13.277 4.962 1.00 0.00 H new ATOM 2088 N LEU A 129 136.088 12.766 2.521 1.00 0.00 N ATOM 2089 CA LEU A 129 137.093 11.866 1.941 1.00 0.00 C ATOM 2090 C LEU A 129 137.766 12.598 0.777 1.00 0.00 C ATOM 2091 O LEU A 129 138.937 12.376 0.466 1.00 0.00 O ATOM 2092 CB LEU A 129 136.439 10.580 1.400 1.00 0.00 C ATOM 2093 CG LEU A 129 135.417 9.882 2.310 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.681 8.823 1.543 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.079 9.259 3.528 1.00 0.00 C ATOM 0 H LEU A 129 135.124 12.460 2.387 1.00 0.00 H new ATOM 0 HA LEU A 129 137.813 11.590 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.945 10.821 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.231 9.867 1.171 1.00 0.00 H new ATOM 0 HG LEU A 129 134.716 10.641 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.959 8.335 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.158 9.280 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.391 8.084 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.322 8.775 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.811 8.519 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.579 10.035 4.107 1.00 0.00 H new ATOM 2107 N MET A 130 136.989 13.469 0.135 1.00 0.00 N ATOM 2108 CA MET A 130 137.472 14.300 -0.954 1.00 0.00 C ATOM 2109 C MET A 130 138.426 15.362 -0.445 1.00 0.00 C ATOM 2110 O MET A 130 139.443 15.637 -1.080 1.00 0.00 O ATOM 2111 CB MET A 130 136.308 14.987 -1.712 1.00 0.00 C ATOM 2112 CG MET A 130 135.328 14.077 -2.485 1.00 0.00 C ATOM 2113 SD MET A 130 136.072 13.160 -3.859 1.00 0.00 S ATOM 2114 CE MET A 130 137.021 11.908 -2.997 1.00 0.00 C ATOM 0 H MET A 130 136.005 13.615 0.360 1.00 0.00 H new ATOM 0 HA MET A 130 137.997 13.639 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 130 135.732 15.566 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 130 136.739 15.696 -2.419 1.00 0.00 H new ATOM 0 HG2 MET A 130 134.887 13.365 -1.787 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.514 14.689 -2.873 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.085 12.105 -3.126 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.774 11.931 -1.936 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.782 10.926 -3.404 1.00 0.00 H new ATOM 2124 N GLU A 131 138.094 15.936 0.704 1.00 0.00 N ATOM 2125 CA GLU A 131 138.840 17.037 1.307 1.00 0.00 C ATOM 2126 C GLU A 131 138.820 18.273 0.424 1.00 0.00 C ATOM 2127 O GLU A 131 139.682 18.470 -0.442 1.00 0.00 O ATOM 2128 CB GLU A 131 140.265 16.648 1.745 1.00 0.00 C ATOM 2129 CG GLU A 131 140.275 15.671 2.901 1.00 0.00 C ATOM 2130 CD GLU A 131 141.645 15.335 3.404 1.00 0.00 C ATOM 2131 OE1 GLU A 131 142.310 16.213 3.984 1.00 0.00 O ATOM 2132 OE2 GLU A 131 142.072 14.181 3.262 1.00 0.00 O ATOM 0 H GLU A 131 137.285 15.646 1.254 1.00 0.00 H new ATOM 0 HA GLU A 131 138.318 17.288 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 131 140.793 16.209 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 131 140.811 17.547 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 131 139.691 16.088 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 131 139.778 14.752 2.591 1.00 0.00 H new ATOM 2139 N GLY A 132 137.803 19.060 0.614 1.00 0.00 N ATOM 2140 CA GLY A 132 137.620 20.264 -0.136 1.00 0.00 C ATOM 2141 C GLY A 132 136.637 21.139 0.564 1.00 0.00 C ATOM 2142 O GLY A 132 137.014 22.123 1.223 1.00 0.00 O ATOM 0 H GLY A 132 137.071 18.881 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 132 138.571 20.784 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 132 137.265 20.030 -1.140 1.00 0.00 H new ATOM 2146 N ARG A 133 135.383 20.775 0.460 1.00 0.00 N ATOM 2147 CA ARG A 133 134.320 21.464 1.143 1.00 0.00 C ATOM 2148 C ARG A 133 133.089 20.576 1.234 1.00 0.00 C ATOM 2149 O ARG A 133 132.826 19.776 0.327 1.00 0.00 O ATOM 2150 CB ARG A 133 133.972 22.813 0.474 1.00 0.00 C ATOM 2151 CG ARG A 133 133.479 22.751 -0.968 1.00 0.00 C ATOM 2152 CD ARG A 133 133.123 24.147 -1.442 1.00 0.00 C ATOM 2153 NE ARG A 133 132.713 24.211 -2.852 1.00 0.00 N ATOM 2154 CZ ARG A 133 132.833 25.314 -3.622 1.00 0.00 C ATOM 2155 NH1 ARG A 133 133.284 26.459 -3.099 1.00 0.00 N ATOM 2156 NH2 ARG A 133 132.484 25.279 -4.894 1.00 0.00 N ATOM 0 H ARG A 133 135.070 19.986 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 133 134.672 21.690 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 133 133.207 23.304 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 133 134.858 23.447 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 133 134.250 22.324 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 133 132.609 22.099 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 133 132.316 24.536 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 133 133.983 24.801 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 133 132.314 23.372 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 133 133.540 26.503 -2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 133 133.372 27.288 -3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 133 132.122 24.416 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 133 132.577 26.115 -5.471 1.00 0.00 H new ATOM 2170 N PRO A 134 132.368 20.637 2.357 1.00 0.00 N ATOM 2171 CA PRO A 134 131.101 19.936 2.518 1.00 0.00 C ATOM 2172 C PRO A 134 130.017 20.643 1.711 1.00 0.00 C ATOM 2173 O PRO A 134 130.217 21.788 1.260 1.00 0.00 O ATOM 2174 CB PRO A 134 130.799 20.055 4.025 1.00 0.00 C ATOM 2175 CG PRO A 134 132.050 20.589 4.641 1.00 0.00 C ATOM 2176 CD PRO A 134 132.743 21.365 3.573 1.00 0.00 C ATOM 0 HA PRO A 134 131.138 18.902 2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 134 129.957 20.723 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 134 130.534 19.087 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 134 131.822 21.224 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 134 132.681 19.778 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 134 132.409 22.402 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 134 133.823 21.381 3.719 1.00 0.00 H new TER 2184 PRO A 134