USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 920 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: B 38 GLN : amide:sc= 0 K(o=-0.033,f=-0.77) USER MOD Set 1.2: B 40 SER OG : rot 180:sc= -0.0333 USER MOD Set 1.3: B 41 HIS : no HD1:sc= 0 X(o=-0.033,f=0.15) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0285 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00733 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 21 THR OG1 : rot -78:sc= 1.05 USER MOD Single : A 22 SER OG : rot 170:sc= -0.264 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 180:sc= 0.0315 USER MOD Single : B 35 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.0071) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ -167:sc= -0.0403 (180deg=-0.243) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.598) USER MOD Single : B 53 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.7!) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 172:sc=-0.00375 (180deg=-0.0743) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : B 68 ASN : amide:sc= -2.47! C(o=-2.5!,f=-6.5!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ -173:sc=-0.00977 (180deg=-0.103) USER MOD Single : B 81 TYR OH : rot 180:sc= 0.974 USER MOD Single : B 84 GLN : amide:sc= -1.96! C(o=-2!,f=-6.3!) USER MOD Single : B 87 SER OG : rot -106:sc= 0.219 USER MOD Single : B 89 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.49) USER MOD Single : B 90 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : B 91 TYR OH : rot -130:sc= 0.541 USER MOD Single : B 93 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : B 94 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 97 THR OG1 : rot -156:sc= 0.757 USER MOD Single : B 102 THR OG1 : rot 131:sc= -1.74 USER MOD Single : B 103 THR OG1 : rot 1:sc= 0.319 USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 140:sc= -0.643 USER MOD Single : B 106 THR OG1 : rot 120:sc= -0.198 USER MOD Single : B 107 SER OG : rot 180:sc= -0.0611 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0.00968 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.41) USER MOD Single : B 115 HIS : no HD1:sc=-0.000266 X(o=-0.00027,f=0) USER MOD Single : B 116 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.6!) USER MOD Single : B 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 118 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.15) USER MOD Single : B 119 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.985 24.756 9.654 1.00 0.00 N ATOM 2 CA GLY A 1 1.304 24.039 10.911 1.00 0.00 C ATOM 3 C GLY A 1 2.408 23.024 10.715 1.00 0.00 C ATOM 4 O GLY A 1 2.535 22.441 9.639 1.00 0.00 O ATOM 0 H1 GLY A 1 1.333 25.734 9.714 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.443 24.274 8.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.045 24.763 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.603 24.758 11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.410 23.537 11.280 1.00 0.00 H new ATOM 10 N SER A 2 3.204 22.809 11.752 1.00 0.00 N ATOM 11 CA SER A 2 4.322 21.883 11.681 1.00 0.00 C ATOM 12 C SER A 2 3.850 20.447 11.899 1.00 0.00 C ATOM 13 O SER A 2 3.995 19.888 12.985 1.00 0.00 O ATOM 14 CB SER A 2 5.380 22.260 12.716 1.00 0.00 C ATOM 15 OG SER A 2 5.781 23.612 12.558 1.00 0.00 O ATOM 0 H SER A 2 3.094 23.267 12.657 1.00 0.00 H new ATOM 0 HA SER A 2 4.763 21.947 10.686 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.983 22.109 13.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.245 21.605 12.613 1.00 0.00 H new ATOM 0 HG SER A 2 6.458 23.833 13.232 1.00 0.00 H new ATOM 21 N GLN A 3 3.281 19.862 10.859 1.00 0.00 N ATOM 22 CA GLN A 3 2.796 18.494 10.920 1.00 0.00 C ATOM 23 C GLN A 3 3.830 17.543 10.331 1.00 0.00 C ATOM 24 O GLN A 3 3.715 17.114 9.181 1.00 0.00 O ATOM 25 CB GLN A 3 1.467 18.361 10.171 1.00 0.00 C ATOM 26 CG GLN A 3 0.329 19.149 10.798 1.00 0.00 C ATOM 27 CD GLN A 3 -0.984 18.958 10.067 1.00 0.00 C ATOM 28 OE1 GLN A 3 -1.753 18.045 10.369 1.00 0.00 O ATOM 29 NE2 GLN A 3 -1.259 19.826 9.107 1.00 0.00 N ATOM 0 H GLN A 3 3.143 20.317 9.956 1.00 0.00 H new ATOM 0 HA GLN A 3 2.631 18.232 11.965 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.605 18.695 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.188 17.308 10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.210 18.843 11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.586 20.208 10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.596 20.569 8.886 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.134 19.752 8.588 1.00 0.00 H new ATOM 38 N THR A 4 4.842 17.220 11.123 1.00 0.00 N ATOM 39 CA THR A 4 5.924 16.359 10.670 1.00 0.00 C ATOM 40 C THR A 4 5.635 14.894 10.988 1.00 0.00 C ATOM 41 O THR A 4 6.116 13.988 10.305 1.00 0.00 O ATOM 42 CB THR A 4 7.259 16.776 11.311 1.00 0.00 C ATOM 43 OG1 THR A 4 7.098 16.916 12.729 1.00 0.00 O ATOM 44 CG2 THR A 4 7.757 18.088 10.722 1.00 0.00 C ATOM 0 H THR A 4 4.936 17.543 12.086 1.00 0.00 H new ATOM 0 HA THR A 4 5.999 16.471 9.588 1.00 0.00 H new ATOM 0 HB THR A 4 7.995 16.000 11.102 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.952 17.180 13.131 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.702 18.362 11.191 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.905 17.972 9.648 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.021 18.871 10.904 1.00 0.00 H new ATOM 52 N THR A 5 4.845 14.666 12.028 1.00 0.00 N ATOM 53 CA THR A 5 4.449 13.317 12.400 1.00 0.00 C ATOM 54 C THR A 5 3.255 12.859 11.576 1.00 0.00 C ATOM 55 O THR A 5 2.926 11.675 11.544 1.00 0.00 O ATOM 56 CB THR A 5 4.103 13.228 13.895 1.00 0.00 C ATOM 57 OG1 THR A 5 3.300 14.352 14.274 1.00 0.00 O ATOM 58 CG2 THR A 5 5.363 13.184 14.742 1.00 0.00 C ATOM 0 H THR A 5 4.466 15.398 12.628 1.00 0.00 H new ATOM 0 HA THR A 5 5.297 12.663 12.199 1.00 0.00 H new ATOM 0 HB THR A 5 3.544 12.308 14.065 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.080 14.291 15.227 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.091 13.121 15.796 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.956 12.311 14.468 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.948 14.088 14.571 1.00 0.00 H new ATOM 66 N ALA A 6 2.616 13.810 10.909 1.00 0.00 N ATOM 67 CA ALA A 6 1.481 13.516 10.055 1.00 0.00 C ATOM 68 C ALA A 6 1.936 13.343 8.614 1.00 0.00 C ATOM 69 O ALA A 6 2.270 14.319 7.943 1.00 0.00 O ATOM 70 CB ALA A 6 0.448 14.626 10.148 1.00 0.00 C ATOM 0 H ALA A 6 2.869 14.797 10.946 1.00 0.00 H new ATOM 0 HA ALA A 6 1.025 12.585 10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.398 14.391 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.103 14.717 11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.896 15.568 9.831 1.00 0.00 H new ATOM 76 N PRO A 7 1.975 12.099 8.125 1.00 0.00 N ATOM 77 CA PRO A 7 2.382 11.806 6.761 1.00 0.00 C ATOM 78 C PRO A 7 1.216 11.916 5.787 1.00 0.00 C ATOM 79 O PRO A 7 0.073 12.154 6.192 1.00 0.00 O ATOM 80 CB PRO A 7 2.866 10.362 6.865 1.00 0.00 C ATOM 81 CG PRO A 7 2.016 9.754 7.929 1.00 0.00 C ATOM 82 CD PRO A 7 1.621 10.871 8.864 1.00 0.00 C ATOM 0 HA PRO A 7 3.133 12.499 6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.750 9.836 5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.923 10.316 7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.134 9.282 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.563 8.977 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.557 10.839 9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.157 10.807 9.811 1.00 0.00 H new ATOM 90 N ASP A 8 1.507 11.761 4.506 1.00 0.00 N ATOM 91 CA ASP A 8 0.473 11.782 3.481 1.00 0.00 C ATOM 92 C ASP A 8 0.190 10.363 3.020 1.00 0.00 C ATOM 93 O ASP A 8 -0.346 10.136 1.936 1.00 0.00 O ATOM 94 CB ASP A 8 0.887 12.655 2.292 1.00 0.00 C ATOM 95 CG ASP A 8 1.004 14.120 2.658 1.00 0.00 C ATOM 96 OD1 ASP A 8 2.095 14.700 2.477 1.00 0.00 O ATOM 97 OD2 ASP A 8 0.007 14.699 3.143 1.00 0.00 O ATOM 0 H ASP A 8 2.452 11.619 4.149 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.432 12.214 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.843 12.304 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.157 12.542 1.491 1.00 0.00 H new ATOM 102 N ALA A 9 0.573 9.414 3.862 1.00 0.00 N ATOM 103 CA ALA A 9 0.368 8.004 3.589 1.00 0.00 C ATOM 104 C ALA A 9 -0.974 7.545 4.138 1.00 0.00 C ATOM 105 O ALA A 9 -1.279 7.774 5.313 1.00 0.00 O ATOM 106 CB ALA A 9 1.493 7.185 4.199 1.00 0.00 C ATOM 0 H ALA A 9 1.034 9.602 4.752 1.00 0.00 H new ATOM 0 HA ALA A 9 0.369 7.855 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.329 6.128 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.445 7.498 3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.513 7.341 5.278 1.00 0.00 H new ATOM 112 N PRO A 10 -1.795 6.910 3.287 1.00 0.00 N ATOM 113 CA PRO A 10 -3.106 6.381 3.680 1.00 0.00 C ATOM 114 C PRO A 10 -3.025 5.514 4.932 1.00 0.00 C ATOM 115 O PRO A 10 -2.170 4.629 5.021 1.00 0.00 O ATOM 116 CB PRO A 10 -3.514 5.527 2.476 1.00 0.00 C ATOM 117 CG PRO A 10 -2.812 6.145 1.322 1.00 0.00 C ATOM 118 CD PRO A 10 -1.507 6.662 1.863 1.00 0.00 C ATOM 0 HA PRO A 10 -3.812 7.176 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.217 4.487 2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.595 5.534 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.645 5.415 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.404 6.953 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.705 5.935 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.194 7.573 1.353 1.00 0.00 H new ATOM 126 N PRO A 11 -3.898 5.785 5.924 1.00 0.00 N ATOM 127 CA PRO A 11 -3.997 4.987 7.151 1.00 0.00 C ATOM 128 C PRO A 11 -4.003 3.491 6.867 1.00 0.00 C ATOM 129 O PRO A 11 -4.541 3.051 5.847 1.00 0.00 O ATOM 130 CB PRO A 11 -5.338 5.425 7.737 1.00 0.00 C ATOM 131 CG PRO A 11 -5.500 6.832 7.286 1.00 0.00 C ATOM 132 CD PRO A 11 -4.847 6.917 5.931 1.00 0.00 C ATOM 0 HA PRO A 11 -3.149 5.145 7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.153 4.797 7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.338 5.354 8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.554 7.103 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.032 7.522 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.579 6.830 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.335 7.869 5.793 1.00 0.00 H new ATOM 140 N ASP A 12 -3.415 2.733 7.799 1.00 0.00 N ATOM 141 CA ASP A 12 -3.190 1.289 7.652 1.00 0.00 C ATOM 142 C ASP A 12 -4.359 0.597 6.963 1.00 0.00 C ATOM 143 O ASP A 12 -5.466 0.550 7.501 1.00 0.00 O ATOM 144 CB ASP A 12 -2.958 0.650 9.024 1.00 0.00 C ATOM 145 CG ASP A 12 -1.750 1.222 9.739 1.00 0.00 C ATOM 146 OD1 ASP A 12 -1.830 2.369 10.234 1.00 0.00 O ATOM 147 OD2 ASP A 12 -0.715 0.525 9.826 1.00 0.00 O ATOM 0 H ASP A 12 -3.078 3.108 8.686 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.306 1.161 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.844 0.795 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.827 -0.425 8.902 1.00 0.00 H new ATOM 152 N PRO A 13 -4.107 0.056 5.757 1.00 0.00 N ATOM 153 CA PRO A 13 -5.130 -0.578 4.914 1.00 0.00 C ATOM 154 C PRO A 13 -6.015 -1.566 5.664 1.00 0.00 C ATOM 155 O PRO A 13 -5.552 -2.322 6.519 1.00 0.00 O ATOM 156 CB PRO A 13 -4.304 -1.297 3.851 1.00 0.00 C ATOM 157 CG PRO A 13 -3.089 -0.454 3.713 1.00 0.00 C ATOM 158 CD PRO A 13 -2.785 0.039 5.101 1.00 0.00 C ATOM 0 HA PRO A 13 -5.831 0.157 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.053 -2.312 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.846 -1.374 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.256 -1.029 3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.263 0.378 3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.089 -0.621 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.332 1.030 5.085 1.00 0.00 H new ATOM 166 N THR A 14 -7.291 -1.549 5.323 1.00 0.00 N ATOM 167 CA THR A 14 -8.276 -2.403 5.955 1.00 0.00 C ATOM 168 C THR A 14 -8.560 -3.616 5.078 1.00 0.00 C ATOM 169 O THR A 14 -9.086 -3.484 3.976 1.00 0.00 O ATOM 170 CB THR A 14 -9.589 -1.636 6.177 1.00 0.00 C ATOM 171 OG1 THR A 14 -9.311 -0.325 6.689 1.00 0.00 O ATOM 172 CG2 THR A 14 -10.494 -2.375 7.147 1.00 0.00 C ATOM 0 H THR A 14 -7.672 -0.941 4.598 1.00 0.00 H new ATOM 0 HA THR A 14 -7.876 -2.727 6.916 1.00 0.00 H new ATOM 0 HB THR A 14 -10.099 -1.555 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.153 0.158 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.416 -1.811 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.729 -3.361 6.746 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.987 -2.485 8.106 1.00 0.00 H new ATOM 180 N VAL A 15 -8.200 -4.787 5.560 1.00 0.00 N ATOM 181 CA VAL A 15 -8.429 -6.016 4.818 1.00 0.00 C ATOM 182 C VAL A 15 -9.596 -6.786 5.420 1.00 0.00 C ATOM 183 O VAL A 15 -9.608 -7.084 6.617 1.00 0.00 O ATOM 184 CB VAL A 15 -7.167 -6.908 4.794 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.461 -8.250 4.143 1.00 0.00 C ATOM 186 CG2 VAL A 15 -6.026 -6.210 4.069 1.00 0.00 C ATOM 0 H VAL A 15 -7.746 -4.917 6.464 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.668 -5.742 3.791 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.865 -7.086 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.557 -8.858 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.241 -8.764 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.796 -8.092 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.148 -6.856 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.324 -5.996 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.787 -5.277 4.580 1.00 0.00 H new ATOM 196 N ASP A 16 -10.576 -7.102 4.583 1.00 0.00 N ATOM 197 CA ASP A 16 -11.769 -7.814 5.027 1.00 0.00 C ATOM 198 C ASP A 16 -11.494 -9.306 5.141 1.00 0.00 C ATOM 199 O ASP A 16 -10.377 -9.758 4.887 1.00 0.00 O ATOM 200 CB ASP A 16 -12.937 -7.581 4.063 1.00 0.00 C ATOM 201 CG ASP A 16 -13.525 -6.193 4.162 1.00 0.00 C ATOM 202 OD1 ASP A 16 -13.989 -5.814 5.258 1.00 0.00 O ATOM 203 OD2 ASP A 16 -13.553 -5.487 3.134 1.00 0.00 O ATOM 0 H ASP A 16 -10.568 -6.876 3.588 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.039 -7.425 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.596 -7.752 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.718 -8.314 4.265 1.00 0.00 H new ATOM 208 N GLN A 17 -12.512 -10.066 5.532 1.00 0.00 N ATOM 209 CA GLN A 17 -12.370 -11.508 5.692 1.00 0.00 C ATOM 210 C GLN A 17 -11.953 -12.158 4.371 1.00 0.00 C ATOM 211 O GLN A 17 -12.536 -11.890 3.315 1.00 0.00 O ATOM 212 CB GLN A 17 -13.673 -12.129 6.215 1.00 0.00 C ATOM 213 CG GLN A 17 -14.874 -11.924 5.305 1.00 0.00 C ATOM 214 CD GLN A 17 -16.149 -12.517 5.875 1.00 0.00 C ATOM 215 OE1 GLN A 17 -16.119 -13.507 6.607 1.00 0.00 O ATOM 216 NE2 GLN A 17 -17.280 -11.919 5.537 1.00 0.00 N ATOM 0 H GLN A 17 -13.443 -9.707 5.744 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.587 -11.694 6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.520 -13.198 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.897 -11.704 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.018 -10.857 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.670 -12.376 4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -17.262 -11.101 4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -18.170 -12.276 5.885 1.00 0.00 H new ATOM 225 N VAL A 18 -10.926 -12.992 4.440 1.00 0.00 N ATOM 226 CA VAL A 18 -10.384 -13.648 3.259 1.00 0.00 C ATOM 227 C VAL A 18 -11.394 -14.631 2.665 1.00 0.00 C ATOM 228 O VAL A 18 -12.030 -15.407 3.383 1.00 0.00 O ATOM 229 CB VAL A 18 -9.057 -14.379 3.586 1.00 0.00 C ATOM 230 CG1 VAL A 18 -9.264 -15.441 4.652 1.00 0.00 C ATOM 231 CG2 VAL A 18 -8.442 -14.987 2.332 1.00 0.00 C ATOM 0 H VAL A 18 -10.448 -13.232 5.309 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.178 -12.874 2.520 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.361 -13.638 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.316 -15.937 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.637 -14.974 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.987 -16.176 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.512 -15.493 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.137 -15.705 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.236 -14.198 1.609 1.00 0.00 H new ATOM 241 N ASP A 19 -11.548 -14.564 1.351 1.00 0.00 N ATOM 242 CA ASP A 19 -12.431 -15.468 0.626 1.00 0.00 C ATOM 243 C ASP A 19 -11.708 -16.785 0.369 1.00 0.00 C ATOM 244 O ASP A 19 -10.833 -17.170 1.144 1.00 0.00 O ATOM 245 CB ASP A 19 -12.870 -14.832 -0.699 1.00 0.00 C ATOM 246 CG ASP A 19 -13.649 -13.546 -0.501 1.00 0.00 C ATOM 247 OD1 ASP A 19 -13.133 -12.466 -0.866 1.00 0.00 O ATOM 248 OD2 ASP A 19 -14.783 -13.607 0.017 1.00 0.00 O ATOM 0 H ASP A 19 -11.068 -13.886 0.759 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.321 -15.660 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.990 -14.629 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.484 -15.542 -1.252 1.00 0.00 H new ATOM 253 N ASP A 20 -12.070 -17.481 -0.703 1.00 0.00 N ATOM 254 CA ASP A 20 -11.409 -18.738 -1.051 1.00 0.00 C ATOM 255 C ASP A 20 -9.906 -18.533 -1.195 1.00 0.00 C ATOM 256 O ASP A 20 -9.112 -19.213 -0.549 1.00 0.00 O ATOM 257 CB ASP A 20 -11.972 -19.306 -2.355 1.00 0.00 C ATOM 258 CG ASP A 20 -11.221 -20.536 -2.822 1.00 0.00 C ATOM 259 OD1 ASP A 20 -11.490 -21.638 -2.298 1.00 0.00 O ATOM 260 OD2 ASP A 20 -10.365 -20.405 -3.725 1.00 0.00 O ATOM 0 H ASP A 20 -12.812 -17.200 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.598 -19.447 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.023 -19.557 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.928 -18.541 -3.130 1.00 0.00 H new ATOM 265 N THR A 21 -9.533 -17.580 -2.034 1.00 0.00 N ATOM 266 CA THR A 21 -8.133 -17.252 -2.259 1.00 0.00 C ATOM 267 C THR A 21 -7.973 -15.777 -2.622 1.00 0.00 C ATOM 268 O THR A 21 -7.126 -15.414 -3.442 1.00 0.00 O ATOM 269 CB THR A 21 -7.528 -18.124 -3.380 1.00 0.00 C ATOM 270 OG1 THR A 21 -8.520 -18.396 -4.384 1.00 0.00 O ATOM 271 CG2 THR A 21 -6.980 -19.431 -2.829 1.00 0.00 C ATOM 0 H THR A 21 -10.187 -17.015 -2.576 1.00 0.00 H new ATOM 0 HA THR A 21 -7.599 -17.453 -1.330 1.00 0.00 H new ATOM 0 HB THR A 21 -6.702 -17.570 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.116 -19.108 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.561 -20.022 -3.643 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.201 -19.219 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.784 -19.990 -2.351 1.00 0.00 H new ATOM 279 N SER A 22 -8.797 -14.924 -2.028 1.00 0.00 N ATOM 280 CA SER A 22 -8.770 -13.502 -2.349 1.00 0.00 C ATOM 281 C SER A 22 -9.136 -12.652 -1.138 1.00 0.00 C ATOM 282 O SER A 22 -9.886 -13.090 -0.265 1.00 0.00 O ATOM 283 CB SER A 22 -9.742 -13.212 -3.495 1.00 0.00 C ATOM 284 OG SER A 22 -9.532 -14.104 -4.578 1.00 0.00 O ATOM 0 H SER A 22 -9.488 -15.189 -1.326 1.00 0.00 H new ATOM 0 HA SER A 22 -7.755 -13.243 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.768 -13.303 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.613 -12.185 -3.835 1.00 0.00 H new ATOM 0 HG SER A 22 -10.261 -14.009 -5.226 1.00 0.00 H new ATOM 290 N ILE A 23 -8.591 -11.442 -1.087 1.00 0.00 N ATOM 291 CA ILE A 23 -8.930 -10.490 -0.038 1.00 0.00 C ATOM 292 C ILE A 23 -9.346 -9.160 -0.653 1.00 0.00 C ATOM 293 O ILE A 23 -8.943 -8.833 -1.772 1.00 0.00 O ATOM 294 CB ILE A 23 -7.750 -10.206 0.924 1.00 0.00 C ATOM 295 CG1 ILE A 23 -6.652 -9.422 0.197 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.196 -11.501 1.500 1.00 0.00 C ATOM 297 CD1 ILE A 23 -5.713 -8.673 1.119 1.00 0.00 C ATOM 0 H ILE A 23 -7.910 -11.097 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.743 -10.944 0.529 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.118 -9.602 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.070 -10.113 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.119 -8.711 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.368 -11.275 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.981 -12.019 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.842 -12.138 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.966 -8.145 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.280 -7.955 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.216 -9.379 1.784 1.00 0.00 H new ATOM 309 N VAL A 24 -10.152 -8.405 0.068 1.00 0.00 N ATOM 310 CA VAL A 24 -10.436 -7.033 -0.310 1.00 0.00 C ATOM 311 C VAL A 24 -9.652 -6.094 0.596 1.00 0.00 C ATOM 312 O VAL A 24 -9.972 -5.936 1.775 1.00 0.00 O ATOM 313 CB VAL A 24 -11.943 -6.705 -0.235 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.195 -5.236 -0.553 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.726 -7.596 -1.190 1.00 0.00 C ATOM 0 H VAL A 24 -10.622 -8.717 0.918 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.132 -6.900 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.284 -6.896 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.264 -5.029 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.664 -4.612 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.838 -5.015 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.787 -7.354 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.377 -7.432 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.576 -8.641 -0.919 1.00 0.00 H new ATOM 325 N VAL A 25 -8.605 -5.502 0.043 1.00 0.00 N ATOM 326 CA VAL A 25 -7.749 -4.601 0.791 1.00 0.00 C ATOM 327 C VAL A 25 -8.130 -3.150 0.499 1.00 0.00 C ATOM 328 O VAL A 25 -8.042 -2.678 -0.636 1.00 0.00 O ATOM 329 CB VAL A 25 -6.248 -4.867 0.492 1.00 0.00 C ATOM 330 CG1 VAL A 25 -5.982 -4.962 -1.000 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.358 -3.807 1.121 1.00 0.00 C ATOM 0 H VAL A 25 -8.328 -5.632 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.899 -4.787 1.855 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.002 -5.829 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.922 -5.149 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.566 -5.780 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.267 -4.026 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.315 -4.025 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.621 -2.827 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.499 -3.808 2.202 1.00 0.00 H new ATOM 341 N ARG A 26 -8.606 -2.472 1.529 1.00 0.00 N ATOM 342 CA ARG A 26 -9.063 -1.095 1.414 1.00 0.00 C ATOM 343 C ARG A 26 -8.017 -0.151 1.989 1.00 0.00 C ATOM 344 O ARG A 26 -7.183 -0.565 2.786 1.00 0.00 O ATOM 345 CB ARG A 26 -10.370 -0.909 2.188 1.00 0.00 C ATOM 346 CG ARG A 26 -11.411 -1.987 1.936 1.00 0.00 C ATOM 347 CD ARG A 26 -12.558 -1.859 2.924 1.00 0.00 C ATOM 348 NE ARG A 26 -13.580 -2.884 2.746 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.879 -2.632 2.607 1.00 0.00 C ATOM 350 NH1 ARG A 26 -15.321 -1.382 2.547 1.00 0.00 N ATOM 351 NH2 ARG A 26 -15.737 -3.638 2.534 1.00 0.00 N ATOM 0 H ARG A 26 -8.687 -2.859 2.469 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.224 -0.871 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.145 -0.881 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.797 0.059 1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.790 -1.904 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.953 -2.972 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.165 -1.918 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.015 -0.875 2.816 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.279 -3.858 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.663 -0.605 2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.319 -1.198 2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.401 -4.600 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.734 -3.451 2.427 1.00 0.00 H new ATOM 365 N TRP A 27 -8.070 1.112 1.600 1.00 0.00 N ATOM 366 CA TRP A 27 -7.197 2.123 2.177 1.00 0.00 C ATOM 367 C TRP A 27 -7.897 3.474 2.203 1.00 0.00 C ATOM 368 O TRP A 27 -8.539 3.872 1.232 1.00 0.00 O ATOM 369 CB TRP A 27 -5.867 2.216 1.412 1.00 0.00 C ATOM 370 CG TRP A 27 -6.016 2.357 -0.075 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.242 3.507 -0.778 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.934 1.305 -1.041 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.318 3.228 -2.121 1.00 0.00 N ATOM 374 CE2 TRP A 27 -6.129 1.885 -2.307 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.718 -0.074 -0.957 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -6.112 1.136 -3.479 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.700 -0.816 -2.121 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.897 -0.209 -3.366 1.00 0.00 C ATOM 0 H TRP A 27 -8.709 1.463 0.886 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.970 1.827 3.201 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.303 3.068 1.791 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.277 1.324 1.623 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.346 4.490 -0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.488 3.911 -2.860 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.568 -0.550 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.263 1.600 -4.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.531 -1.882 -2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.879 -0.817 -4.258 1.00 0.00 H new ATOM 389 N SER A 28 -7.795 4.164 3.325 1.00 0.00 N ATOM 390 CA SER A 28 -8.395 5.477 3.459 1.00 0.00 C ATOM 391 C SER A 28 -7.496 6.529 2.824 1.00 0.00 C ATOM 392 O SER A 28 -6.399 6.790 3.308 1.00 0.00 O ATOM 393 CB SER A 28 -8.626 5.801 4.937 1.00 0.00 C ATOM 394 OG SER A 28 -9.415 4.799 5.558 1.00 0.00 O ATOM 0 H SER A 28 -7.302 3.836 4.156 1.00 0.00 H new ATOM 0 HA SER A 28 -9.356 5.480 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.667 5.884 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.121 6.768 5.028 1.00 0.00 H new ATOM 0 HG SER A 28 -9.548 5.026 6.502 1.00 0.00 H new ATOM 400 N ARG A 29 -7.954 7.105 1.720 1.00 0.00 N ATOM 401 CA ARG A 29 -7.212 8.169 1.053 1.00 0.00 C ATOM 402 C ARG A 29 -7.037 9.362 1.990 1.00 0.00 C ATOM 403 O ARG A 29 -7.951 9.703 2.744 1.00 0.00 O ATOM 404 CB ARG A 29 -7.905 8.615 -0.247 1.00 0.00 C ATOM 405 CG ARG A 29 -9.190 9.408 -0.043 1.00 0.00 C ATOM 406 CD ARG A 29 -10.273 8.556 0.587 1.00 0.00 C ATOM 407 NE ARG A 29 -11.451 9.335 0.953 1.00 0.00 N ATOM 408 CZ ARG A 29 -12.692 8.850 0.963 1.00 0.00 C ATOM 409 NH1 ARG A 29 -12.933 7.613 0.542 1.00 0.00 N ATOM 410 NH2 ARG A 29 -13.699 9.614 1.368 1.00 0.00 N ATOM 0 H ARG A 29 -8.833 6.855 1.268 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.231 7.772 0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.208 9.221 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.130 7.732 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.989 10.271 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.539 9.791 -1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.563 7.769 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.875 8.065 1.475 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.316 10.311 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.166 7.029 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.885 7.247 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.523 10.572 1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.649 9.243 1.376 1.00 0.00 H new ATOM 424 N PRO A 30 -5.853 9.990 1.978 1.00 0.00 N ATOM 425 CA PRO A 30 -5.581 11.171 2.792 1.00 0.00 C ATOM 426 C PRO A 30 -6.535 12.313 2.459 1.00 0.00 C ATOM 427 O PRO A 30 -6.457 12.845 1.332 1.00 0.00 O ATOM 428 CB PRO A 30 -4.135 11.548 2.442 1.00 0.00 C ATOM 429 CG PRO A 30 -3.840 10.836 1.166 1.00 0.00 C ATOM 430 CD PRO A 30 -4.682 9.593 1.179 1.00 0.00 C ATOM 431 OXT PRO A 30 -7.363 12.669 3.323 1.00 0.00 O ATOM 0 HA PRO A 30 -5.719 10.974 3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.027 12.626 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.447 11.243 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.081 11.461 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.781 10.589 1.093 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.966 9.288 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.153 8.753 1.629 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 -0.628 35.564 3.209 1.00 0.00 N ATOM 441 CA MET B 31 -2.097 35.366 3.220 1.00 0.00 C ATOM 442 C MET B 31 -2.573 34.725 1.918 1.00 0.00 C ATOM 443 O MET B 31 -3.372 33.789 1.937 1.00 0.00 O ATOM 444 CB MET B 31 -2.816 36.702 3.433 1.00 0.00 C ATOM 445 CG MET B 31 -4.328 36.573 3.549 1.00 0.00 C ATOM 446 SD MET B 31 -5.139 38.152 3.865 1.00 0.00 S ATOM 447 CE MET B 31 -6.854 37.642 3.925 1.00 0.00 C ATOM 0 HA MET B 31 -2.337 34.695 4.045 1.00 0.00 H new ATOM 0 HB2 MET B 31 -2.430 37.172 4.338 1.00 0.00 H new ATOM 0 HB3 MET B 31 -2.580 37.368 2.603 1.00 0.00 H new ATOM 0 HG2 MET B 31 -4.724 36.144 2.628 1.00 0.00 H new ATOM 0 HG3 MET B 31 -4.569 35.878 4.354 1.00 0.00 H new ATOM 0 HE1 MET B 31 -7.485 38.510 4.114 1.00 0.00 H new ATOM 0 HE2 MET B 31 -7.133 37.191 2.973 1.00 0.00 H new ATOM 0 HE3 MET B 31 -6.989 36.914 4.725 1.00 0.00 H new ATOM 459 N ARG B 32 -2.086 35.229 0.788 1.00 0.00 N ATOM 460 CA ARG B 32 -2.482 34.709 -0.516 1.00 0.00 C ATOM 461 C ARG B 32 -1.369 34.926 -1.533 1.00 0.00 C ATOM 462 O ARG B 32 -0.323 35.490 -1.208 1.00 0.00 O ATOM 463 CB ARG B 32 -3.762 35.396 -1.001 1.00 0.00 C ATOM 464 CG ARG B 32 -3.607 36.898 -1.174 1.00 0.00 C ATOM 465 CD ARG B 32 -4.853 37.529 -1.768 1.00 0.00 C ATOM 466 NE ARG B 32 -4.706 38.974 -1.924 1.00 0.00 N ATOM 467 CZ ARG B 32 -5.427 39.713 -2.766 1.00 0.00 C ATOM 468 NH1 ARG B 32 -6.338 39.143 -3.546 1.00 0.00 N ATOM 469 NH2 ARG B 32 -5.228 41.024 -2.831 1.00 0.00 N ATOM 0 H ARG B 32 -1.416 35.997 0.749 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.670 33.640 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -4.065 34.957 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -4.564 35.200 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -3.394 37.355 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -2.753 37.103 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -5.062 37.078 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -5.709 37.318 -1.127 1.00 0.00 H new ATOM 0 HE ARG B 32 -4.007 39.447 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -6.488 38.135 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -6.888 39.713 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -4.524 41.463 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -5.779 41.592 -3.475 1.00 0.00 H new ATOM 483 N GLY B 33 -1.598 34.486 -2.760 1.00 0.00 N ATOM 484 CA GLY B 33 -0.620 34.671 -3.809 1.00 0.00 C ATOM 485 C GLY B 33 -1.069 34.052 -5.111 1.00 0.00 C ATOM 486 O GLY B 33 -2.267 33.982 -5.389 1.00 0.00 O ATOM 0 H GLY B 33 -2.448 34.002 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.442 35.736 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY B 33 0.328 34.228 -3.504 1.00 0.00 H new ATOM 490 N SER B 34 -0.113 33.598 -5.905 1.00 0.00 N ATOM 491 CA SER B 34 -0.410 32.965 -7.177 1.00 0.00 C ATOM 492 C SER B 34 -1.097 31.622 -6.962 1.00 0.00 C ATOM 493 O SER B 34 -2.219 31.406 -7.426 1.00 0.00 O ATOM 494 CB SER B 34 0.882 32.783 -7.974 1.00 0.00 C ATOM 495 OG SER B 34 1.911 32.243 -7.158 1.00 0.00 O ATOM 0 H SER B 34 0.882 33.657 -5.688 1.00 0.00 H new ATOM 0 HA SER B 34 -1.089 33.605 -7.740 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.701 32.122 -8.822 1.00 0.00 H new ATOM 0 HB3 SER B 34 1.201 33.743 -8.380 1.00 0.00 H new ATOM 0 HG SER B 34 2.727 32.134 -7.690 1.00 0.00 H new ATOM 501 N ASN B 35 -0.424 30.736 -6.242 1.00 0.00 N ATOM 502 CA ASN B 35 -0.943 29.405 -5.959 1.00 0.00 C ATOM 503 C ASN B 35 -0.024 28.685 -4.984 1.00 0.00 C ATOM 504 O ASN B 35 1.198 28.816 -5.060 1.00 0.00 O ATOM 505 CB ASN B 35 -1.085 28.582 -7.251 1.00 0.00 C ATOM 506 CG ASN B 35 0.247 28.292 -7.925 1.00 0.00 C ATOM 507 OD1 ASN B 35 0.766 29.111 -8.683 1.00 0.00 O ATOM 508 ND2 ASN B 35 0.796 27.113 -7.677 1.00 0.00 N ATOM 0 H ASN B 35 0.495 30.918 -5.838 1.00 0.00 H new ATOM 0 HA ASN B 35 -1.931 29.512 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -1.582 27.639 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -1.728 29.119 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN B 35 1.679 26.858 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN B 35 0.336 26.460 -7.043 1.00 0.00 H new ATOM 515 N ALA B 36 -0.614 27.951 -4.059 1.00 0.00 N ATOM 516 CA ALA B 36 0.148 27.147 -3.120 1.00 0.00 C ATOM 517 C ALA B 36 -0.134 25.671 -3.365 1.00 0.00 C ATOM 518 O ALA B 36 -1.137 25.141 -2.886 1.00 0.00 O ATOM 519 CB ALA B 36 -0.194 27.528 -1.686 1.00 0.00 C ATOM 0 H ALA B 36 -1.625 27.895 -3.937 1.00 0.00 H new ATOM 0 HA ALA B 36 1.211 27.335 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA B 36 0.387 26.914 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.042 28.579 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.257 27.363 -1.509 1.00 0.00 H new ATOM 525 N PRO B 37 0.737 24.997 -4.136 1.00 0.00 N ATOM 526 CA PRO B 37 0.547 23.591 -4.516 1.00 0.00 C ATOM 527 C PRO B 37 0.527 22.660 -3.308 1.00 0.00 C ATOM 528 O PRO B 37 1.572 22.359 -2.727 1.00 0.00 O ATOM 529 CB PRO B 37 1.761 23.282 -5.404 1.00 0.00 C ATOM 530 CG PRO B 37 2.287 24.610 -5.824 1.00 0.00 C ATOM 531 CD PRO B 37 1.981 25.549 -4.695 1.00 0.00 C ATOM 0 HA PRO B 37 -0.410 23.437 -5.015 1.00 0.00 H new ATOM 0 HB2 PRO B 37 2.515 22.715 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO B 37 1.475 22.681 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO B 37 3.359 24.563 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO B 37 1.814 24.943 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO B 37 2.782 25.567 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO B 37 1.847 26.572 -5.046 1.00 0.00 H new ATOM 539 N GLN B 38 -0.666 22.218 -2.929 1.00 0.00 N ATOM 540 CA GLN B 38 -0.823 21.302 -1.809 1.00 0.00 C ATOM 541 C GLN B 38 -0.162 19.967 -2.138 1.00 0.00 C ATOM 542 O GLN B 38 -0.447 19.373 -3.179 1.00 0.00 O ATOM 543 CB GLN B 38 -2.311 21.110 -1.486 1.00 0.00 C ATOM 544 CG GLN B 38 -2.573 20.209 -0.288 1.00 0.00 C ATOM 545 CD GLN B 38 -4.032 20.203 0.134 1.00 0.00 C ATOM 546 OE1 GLN B 38 -4.745 21.192 -0.033 1.00 0.00 O ATOM 547 NE2 GLN B 38 -4.486 19.095 0.694 1.00 0.00 N ATOM 0 H GLN B 38 -1.541 22.481 -3.383 1.00 0.00 H new ATOM 0 HA GLN B 38 -0.336 21.723 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.761 22.085 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -2.811 20.691 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.265 19.192 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.958 20.538 0.550 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.866 18.294 0.816 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -5.456 19.041 1.004 1.00 0.00 H new ATOM 556 N PRO B 39 0.750 19.500 -1.269 1.00 0.00 N ATOM 557 CA PRO B 39 1.487 18.248 -1.481 1.00 0.00 C ATOM 558 C PRO B 39 0.605 17.016 -1.294 1.00 0.00 C ATOM 559 O PRO B 39 0.757 16.261 -0.333 1.00 0.00 O ATOM 560 CB PRO B 39 2.579 18.298 -0.412 1.00 0.00 C ATOM 561 CG PRO B 39 2.008 19.140 0.674 1.00 0.00 C ATOM 562 CD PRO B 39 1.136 20.158 -0.005 1.00 0.00 C ATOM 0 HA PRO B 39 1.872 18.165 -2.498 1.00 0.00 H new ATOM 0 HB2 PRO B 39 2.825 17.300 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO B 39 3.499 18.730 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO B 39 1.430 18.536 1.373 1.00 0.00 H new ATOM 0 HG3 PRO B 39 2.798 19.624 1.248 1.00 0.00 H new ATOM 0 HD2 PRO B 39 0.264 20.406 0.600 1.00 0.00 H new ATOM 0 HD3 PRO B 39 1.673 21.089 -0.186 1.00 0.00 H new ATOM 570 N SER B 40 -0.323 16.832 -2.213 1.00 0.00 N ATOM 571 CA SER B 40 -1.245 15.717 -2.163 1.00 0.00 C ATOM 572 C SER B 40 -1.612 15.286 -3.584 1.00 0.00 C ATOM 573 O SER B 40 -0.806 15.444 -4.503 1.00 0.00 O ATOM 574 CB SER B 40 -2.489 16.129 -1.370 1.00 0.00 C ATOM 575 OG SER B 40 -3.099 17.282 -1.931 1.00 0.00 O ATOM 0 H SER B 40 -0.458 17.450 -3.013 1.00 0.00 H new ATOM 0 HA SER B 40 -0.779 14.868 -1.663 1.00 0.00 H new ATOM 0 HB2 SER B 40 -3.204 15.306 -1.357 1.00 0.00 H new ATOM 0 HB3 SER B 40 -2.214 16.328 -0.334 1.00 0.00 H new ATOM 0 HG SER B 40 -3.891 17.521 -1.406 1.00 0.00 H new ATOM 581 N HIS B 41 -2.825 14.750 -3.754 1.00 0.00 N ATOM 582 CA HIS B 41 -3.321 14.306 -5.058 1.00 0.00 C ATOM 583 C HIS B 41 -2.570 13.064 -5.522 1.00 0.00 C ATOM 584 O HIS B 41 -1.548 13.155 -6.207 1.00 0.00 O ATOM 585 CB HIS B 41 -3.214 15.417 -6.117 1.00 0.00 C ATOM 586 CG HIS B 41 -4.012 16.649 -5.805 1.00 0.00 C ATOM 587 ND1 HIS B 41 -5.296 16.852 -6.263 1.00 0.00 N ATOM 588 CD2 HIS B 41 -3.693 17.754 -5.089 1.00 0.00 C ATOM 589 CE1 HIS B 41 -5.730 18.027 -5.842 1.00 0.00 C ATOM 590 NE2 HIS B 41 -4.777 18.591 -5.128 1.00 0.00 N ATOM 0 H HIS B 41 -3.489 14.612 -2.992 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.376 14.060 -4.938 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -2.166 15.696 -6.229 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -3.542 15.020 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -2.758 17.940 -4.582 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -6.701 18.453 -6.048 1.00 0.00 H new ATOM 0 HE2 HIS B 41 -4.837 19.504 -4.677 1.00 0.00 H new ATOM 599 N ILE B 42 -3.083 11.905 -5.138 1.00 0.00 N ATOM 600 CA ILE B 42 -2.453 10.638 -5.475 1.00 0.00 C ATOM 601 C ILE B 42 -2.912 10.175 -6.852 1.00 0.00 C ATOM 602 O ILE B 42 -4.102 9.967 -7.087 1.00 0.00 O ATOM 603 CB ILE B 42 -2.754 9.533 -4.428 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.122 9.860 -3.065 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.248 8.185 -4.919 1.00 0.00 C ATOM 606 CD1 ILE B 42 -2.818 10.966 -2.299 1.00 0.00 C ATOM 0 H ILE B 42 -3.939 11.816 -4.590 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.376 10.806 -5.478 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.836 9.488 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.120 8.958 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.081 10.142 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.467 7.421 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.743 7.930 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.171 8.237 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.306 11.130 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.797 11.884 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.853 10.681 -2.108 1.00 0.00 H new ATOM 618 N SER B 43 -1.959 10.030 -7.757 1.00 0.00 N ATOM 619 CA SER B 43 -2.242 9.649 -9.128 1.00 0.00 C ATOM 620 C SER B 43 -2.585 8.163 -9.226 1.00 0.00 C ATOM 621 O SER B 43 -3.400 7.757 -10.059 1.00 0.00 O ATOM 622 CB SER B 43 -1.029 9.969 -10.001 1.00 0.00 C ATOM 623 OG SER B 43 -0.633 11.320 -9.837 1.00 0.00 O ATOM 0 H SER B 43 -0.968 10.173 -7.561 1.00 0.00 H new ATOM 0 HA SER B 43 -3.106 10.214 -9.478 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.202 9.309 -9.739 1.00 0.00 H new ATOM 0 HB3 SER B 43 -1.268 9.780 -11.047 1.00 0.00 H new ATOM 0 HG SER B 43 0.146 11.504 -10.403 1.00 0.00 H new ATOM 629 N LYS B 44 -1.964 7.358 -8.369 1.00 0.00 N ATOM 630 CA LYS B 44 -2.192 5.918 -8.371 1.00 0.00 C ATOM 631 C LYS B 44 -1.671 5.275 -7.091 1.00 0.00 C ATOM 632 O LYS B 44 -0.680 5.726 -6.513 1.00 0.00 O ATOM 633 CB LYS B 44 -1.518 5.269 -9.586 1.00 0.00 C ATOM 634 CG LYS B 44 -0.023 5.536 -9.676 1.00 0.00 C ATOM 635 CD LYS B 44 0.603 4.803 -10.849 1.00 0.00 C ATOM 636 CE LYS B 44 2.071 5.153 -11.011 1.00 0.00 C ATOM 637 NZ LYS B 44 2.271 6.583 -11.360 1.00 0.00 N ATOM 0 H LYS B 44 -1.299 7.679 -7.665 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.268 5.754 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.683 4.192 -9.549 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.998 5.634 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.151 6.607 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.460 5.223 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.499 3.728 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.066 5.054 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.601 4.929 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.509 4.526 -11.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 3.251 6.730 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 1.618 6.848 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.083 7.174 -10.525 1.00 0.00 H new ATOM 651 N TYR B 45 -2.353 4.227 -6.658 1.00 0.00 N ATOM 652 CA TYR B 45 -1.931 3.446 -5.507 1.00 0.00 C ATOM 653 C TYR B 45 -1.404 2.102 -5.986 1.00 0.00 C ATOM 654 O TYR B 45 -2.100 1.383 -6.701 1.00 0.00 O ATOM 655 CB TYR B 45 -3.103 3.211 -4.547 1.00 0.00 C ATOM 656 CG TYR B 45 -3.771 4.472 -4.042 1.00 0.00 C ATOM 657 CD1 TYR B 45 -4.868 5.010 -4.701 1.00 0.00 C ATOM 658 CD2 TYR B 45 -3.316 5.112 -2.896 1.00 0.00 C ATOM 659 CE1 TYR B 45 -5.490 6.151 -4.235 1.00 0.00 C ATOM 660 CE2 TYR B 45 -3.932 6.255 -2.426 1.00 0.00 C ATOM 661 CZ TYR B 45 -5.019 6.769 -3.097 1.00 0.00 C ATOM 662 OH TYR B 45 -5.637 7.906 -2.632 1.00 0.00 O ATOM 0 H TYR B 45 -3.213 3.894 -7.094 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.152 3.995 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.850 2.597 -5.051 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.745 2.639 -3.691 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -5.241 4.528 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.467 4.709 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -6.342 6.557 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.563 6.744 -1.536 1.00 0.00 H new ATOM 0 HH TYR B 45 -5.183 8.216 -1.821 1.00 0.00 H new ATOM 672 N ILE B 46 -0.180 1.769 -5.626 1.00 0.00 N ATOM 673 CA ILE B 46 0.396 0.494 -6.021 1.00 0.00 C ATOM 674 C ILE B 46 0.374 -0.480 -4.851 1.00 0.00 C ATOM 675 O ILE B 46 0.943 -0.211 -3.794 1.00 0.00 O ATOM 676 CB ILE B 46 1.847 0.633 -6.555 1.00 0.00 C ATOM 677 CG1 ILE B 46 1.874 1.360 -7.908 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.505 -0.734 -6.692 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.608 2.846 -7.820 1.00 0.00 C ATOM 0 H ILE B 46 0.434 2.358 -5.064 1.00 0.00 H new ATOM 0 HA ILE B 46 -0.218 0.111 -6.836 1.00 0.00 H new ATOM 0 HB ILE B 46 2.407 1.226 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE B 46 2.848 1.204 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.131 0.908 -8.565 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.521 -0.613 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.534 -1.223 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.931 -1.346 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE B 46 1.645 3.282 -8.818 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.622 3.014 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.365 3.315 -7.191 1.00 0.00 H new ATOM 691 N LEU B 47 -0.298 -1.601 -5.047 1.00 0.00 N ATOM 692 CA LEU B 47 -0.364 -2.645 -4.039 1.00 0.00 C ATOM 693 C LEU B 47 0.698 -3.696 -4.352 1.00 0.00 C ATOM 694 O LEU B 47 0.648 -4.341 -5.398 1.00 0.00 O ATOM 695 CB LEU B 47 -1.766 -3.286 -4.035 1.00 0.00 C ATOM 696 CG LEU B 47 -2.246 -3.907 -2.707 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.301 -4.989 -2.212 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.429 -2.835 -1.646 1.00 0.00 C ATOM 0 H LEU B 47 -0.810 -1.813 -5.903 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.179 -2.221 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.487 -2.526 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.786 -4.063 -4.799 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.210 -4.377 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.677 -5.399 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.236 -5.783 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.311 -4.562 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.768 -3.296 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.480 -2.328 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.171 -2.112 -1.984 1.00 0.00 H new ATOM 710 N ARG B 48 1.678 -3.826 -3.473 1.00 0.00 N ATOM 711 CA ARG B 48 2.688 -4.865 -3.608 1.00 0.00 C ATOM 712 C ARG B 48 2.571 -5.856 -2.464 1.00 0.00 C ATOM 713 O ARG B 48 2.372 -5.462 -1.315 1.00 0.00 O ATOM 714 CB ARG B 48 4.098 -4.273 -3.632 1.00 0.00 C ATOM 715 CG ARG B 48 4.417 -3.480 -4.883 1.00 0.00 C ATOM 716 CD ARG B 48 5.870 -3.044 -4.898 1.00 0.00 C ATOM 717 NE ARG B 48 6.192 -2.248 -6.081 1.00 0.00 N ATOM 718 CZ ARG B 48 7.408 -2.172 -6.621 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.422 -2.848 -6.089 1.00 0.00 N ATOM 720 NH2 ARG B 48 7.609 -1.424 -7.699 1.00 0.00 N ATOM 0 H ARG B 48 1.796 -3.225 -2.657 1.00 0.00 H new ATOM 0 HA ARG B 48 2.516 -5.376 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.223 -3.626 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.822 -5.082 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.207 -4.086 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.771 -2.604 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG B 48 6.083 -2.462 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG B 48 6.513 -3.924 -4.867 1.00 0.00 H new ATOM 0 HE ARG B 48 5.439 -1.718 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG B 48 8.271 -3.428 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.351 -2.786 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG B 48 6.833 -0.908 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG B 48 8.539 -1.365 -8.113 1.00 0.00 H new ATOM 734 N TRP B 49 2.683 -7.136 -2.775 1.00 0.00 N ATOM 735 CA TRP B 49 2.610 -8.169 -1.756 1.00 0.00 C ATOM 736 C TRP B 49 3.587 -9.294 -2.059 1.00 0.00 C ATOM 737 O TRP B 49 3.992 -9.485 -3.208 1.00 0.00 O ATOM 738 CB TRP B 49 1.181 -8.712 -1.624 1.00 0.00 C ATOM 739 CG TRP B 49 0.650 -9.394 -2.852 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.575 -10.739 -3.071 1.00 0.00 C ATOM 741 CD2 TRP B 49 0.111 -8.767 -4.021 1.00 0.00 C ATOM 742 NE1 TRP B 49 0.018 -10.986 -4.301 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.274 -9.791 -4.905 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.086 -7.440 -4.406 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -0.844 -9.527 -6.147 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.649 -7.180 -5.639 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.024 -8.217 -6.496 1.00 0.00 C ATOM 0 H TRP B 49 2.825 -7.484 -3.723 1.00 0.00 H new ATOM 0 HA TRP B 49 2.889 -7.721 -0.802 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.150 -9.416 -0.793 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.516 -7.887 -1.368 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.906 -11.498 -2.378 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.151 -11.909 -4.701 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.197 -6.630 -3.750 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.134 -10.328 -6.811 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.802 -6.156 -5.947 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.465 -7.980 -7.453 1.00 0.00 H new ATOM 758 N ARG B 50 3.975 -10.019 -1.020 1.00 0.00 N ATOM 759 CA ARG B 50 4.923 -11.116 -1.155 1.00 0.00 C ATOM 760 C ARG B 50 4.631 -12.199 -0.122 1.00 0.00 C ATOM 761 O ARG B 50 4.386 -11.893 1.050 1.00 0.00 O ATOM 762 CB ARG B 50 6.355 -10.611 -0.958 1.00 0.00 C ATOM 763 CG ARG B 50 7.414 -11.676 -1.201 1.00 0.00 C ATOM 764 CD ARG B 50 8.747 -11.295 -0.583 1.00 0.00 C ATOM 765 NE ARG B 50 8.671 -11.249 0.878 1.00 0.00 N ATOM 766 CZ ARG B 50 9.682 -10.891 1.668 1.00 0.00 C ATOM 767 NH1 ARG B 50 10.862 -10.582 1.148 1.00 0.00 N ATOM 768 NH2 ARG B 50 9.517 -10.861 2.983 1.00 0.00 N ATOM 0 H ARG B 50 3.645 -9.866 -0.067 1.00 0.00 H new ATOM 0 HA ARG B 50 4.820 -11.532 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.532 -9.773 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.461 -10.230 0.058 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.078 -12.625 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.540 -11.826 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG B 50 9.508 -12.015 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG B 50 9.060 -10.322 -0.962 1.00 0.00 H new ATOM 0 HE ARG B 50 7.788 -11.507 1.319 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.999 -10.618 0.138 1.00 0.00 H new ATOM 0 HH12 ARG B 50 11.632 -10.309 1.758 1.00 0.00 H new ATOM 0 HH21 ARG B 50 8.616 -11.112 3.390 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.291 -10.587 3.588 1.00 0.00 H new ATOM 782 N PRO B 51 4.638 -13.474 -0.543 1.00 0.00 N ATOM 783 CA PRO B 51 4.490 -14.608 0.372 1.00 0.00 C ATOM 784 C PRO B 51 5.666 -14.709 1.343 1.00 0.00 C ATOM 785 O PRO B 51 6.824 -14.763 0.932 1.00 0.00 O ATOM 786 CB PRO B 51 4.444 -15.830 -0.554 1.00 0.00 C ATOM 787 CG PRO B 51 5.056 -15.378 -1.833 1.00 0.00 C ATOM 788 CD PRO B 51 4.768 -13.908 -1.946 1.00 0.00 C ATOM 0 HA PRO B 51 3.603 -14.515 0.998 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.997 -16.667 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO B 51 3.419 -16.169 -0.707 1.00 0.00 H new ATOM 0 HG2 PRO B 51 6.130 -15.565 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO B 51 4.635 -15.922 -2.678 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.573 -13.379 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.855 -13.720 -2.511 1.00 0.00 H new ATOM 796 N LYS B 52 5.351 -14.719 2.631 1.00 0.00 N ATOM 797 CA LYS B 52 6.364 -14.753 3.683 1.00 0.00 C ATOM 798 C LYS B 52 6.923 -16.155 3.880 1.00 0.00 C ATOM 799 O LYS B 52 8.075 -16.328 4.275 1.00 0.00 O ATOM 800 CB LYS B 52 5.742 -14.272 4.986 1.00 0.00 C ATOM 801 CG LYS B 52 6.169 -12.879 5.405 1.00 0.00 C ATOM 802 CD LYS B 52 7.627 -12.860 5.827 1.00 0.00 C ATOM 803 CE LYS B 52 8.046 -11.503 6.373 1.00 0.00 C ATOM 804 NZ LYS B 52 7.234 -11.094 7.551 1.00 0.00 N ATOM 0 H LYS B 52 4.392 -14.704 2.977 1.00 0.00 H new ATOM 0 HA LYS B 52 7.186 -14.102 3.386 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.657 -14.292 4.886 1.00 0.00 H new ATOM 0 HB3 LYS B 52 6.002 -14.973 5.779 1.00 0.00 H new ATOM 0 HG2 LYS B 52 6.017 -12.184 4.579 1.00 0.00 H new ATOM 0 HG3 LYS B 52 5.544 -12.536 6.229 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.794 -13.624 6.587 1.00 0.00 H new ATOM 0 HD3 LYS B 52 8.255 -13.117 4.974 1.00 0.00 H new ATOM 0 HE2 LYS B 52 9.099 -11.536 6.654 1.00 0.00 H new ATOM 0 HE3 LYS B 52 7.949 -10.752 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 7.687 -10.284 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 6.280 -10.823 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 7.167 -11.888 8.219 1.00 0.00 H new ATOM 818 N ASN B 53 6.091 -17.147 3.611 1.00 0.00 N ATOM 819 CA ASN B 53 6.446 -18.548 3.821 1.00 0.00 C ATOM 820 C ASN B 53 7.649 -18.958 2.973 1.00 0.00 C ATOM 821 O ASN B 53 8.485 -19.748 3.410 1.00 0.00 O ATOM 822 CB ASN B 53 5.250 -19.447 3.496 1.00 0.00 C ATOM 823 CG ASN B 53 4.716 -19.234 2.088 1.00 0.00 C ATOM 824 OD1 ASN B 53 4.777 -18.137 1.536 1.00 0.00 O ATOM 825 ND2 ASN B 53 4.186 -20.280 1.498 1.00 0.00 N ATOM 0 H ASN B 53 5.151 -17.008 3.241 1.00 0.00 H new ATOM 0 HA ASN B 53 6.719 -18.667 4.870 1.00 0.00 H new ATOM 0 HB2 ASN B 53 5.543 -20.490 3.614 1.00 0.00 H new ATOM 0 HB3 ASN B 53 4.453 -19.257 4.214 1.00 0.00 H new ATOM 0 HD21 ASN B 53 3.809 -20.197 0.554 1.00 0.00 H new ATOM 0 HD22 ASN B 53 4.151 -21.176 1.984 1.00 0.00 H new ATOM 832 N SER B 54 7.735 -18.418 1.772 1.00 0.00 N ATOM 833 CA SER B 54 8.855 -18.696 0.887 1.00 0.00 C ATOM 834 C SER B 54 9.656 -17.424 0.645 1.00 0.00 C ATOM 835 O SER B 54 9.424 -16.411 1.306 1.00 0.00 O ATOM 836 CB SER B 54 8.337 -19.260 -0.436 1.00 0.00 C ATOM 837 OG SER B 54 7.524 -20.399 -0.213 1.00 0.00 O ATOM 0 H SER B 54 7.040 -17.781 1.384 1.00 0.00 H new ATOM 0 HA SER B 54 9.509 -19.433 1.353 1.00 0.00 H new ATOM 0 HB2 SER B 54 7.765 -18.496 -0.963 1.00 0.00 H new ATOM 0 HB3 SER B 54 9.177 -19.527 -1.077 1.00 0.00 H new ATOM 0 HG SER B 54 7.201 -20.744 -1.072 1.00 0.00 H new ATOM 843 N VAL B 55 10.609 -17.476 -0.281 1.00 0.00 N ATOM 844 CA VAL B 55 11.343 -16.288 -0.668 1.00 0.00 C ATOM 845 C VAL B 55 10.376 -15.256 -1.246 1.00 0.00 C ATOM 846 O VAL B 55 10.389 -14.090 -0.847 1.00 0.00 O ATOM 847 CB VAL B 55 12.474 -16.621 -1.674 1.00 0.00 C ATOM 848 CG1 VAL B 55 11.953 -17.372 -2.891 1.00 0.00 C ATOM 849 CG2 VAL B 55 13.189 -15.356 -2.098 1.00 0.00 C ATOM 0 H VAL B 55 10.886 -18.326 -0.772 1.00 0.00 H new ATOM 0 HA VAL B 55 11.820 -15.869 0.218 1.00 0.00 H new ATOM 0 HB VAL B 55 13.181 -17.278 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL B 55 12.780 -17.584 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL B 55 11.495 -18.308 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL B 55 11.210 -16.762 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL B 55 13.981 -15.605 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.479 -14.678 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.623 -14.872 -1.223 1.00 0.00 H new ATOM 859 N GLY B 56 9.523 -15.702 -2.161 1.00 0.00 N ATOM 860 CA GLY B 56 8.455 -14.867 -2.659 1.00 0.00 C ATOM 861 C GLY B 56 8.913 -13.803 -3.634 1.00 0.00 C ATOM 862 O GLY B 56 10.051 -13.333 -3.586 1.00 0.00 O ATOM 0 H GLY B 56 9.556 -16.637 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.711 -15.497 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.960 -14.385 -1.816 1.00 0.00 H new ATOM 866 N ARG B 57 8.015 -13.432 -4.526 1.00 0.00 N ATOM 867 CA ARG B 57 8.256 -12.346 -5.457 1.00 0.00 C ATOM 868 C ARG B 57 7.228 -11.254 -5.225 1.00 0.00 C ATOM 869 O ARG B 57 6.052 -11.545 -4.999 1.00 0.00 O ATOM 870 CB ARG B 57 8.161 -12.843 -6.900 1.00 0.00 C ATOM 871 CG ARG B 57 9.112 -13.981 -7.222 1.00 0.00 C ATOM 872 CD ARG B 57 8.965 -14.426 -8.665 1.00 0.00 C ATOM 873 NE ARG B 57 9.845 -15.545 -8.990 1.00 0.00 N ATOM 874 CZ ARG B 57 10.047 -15.994 -10.229 1.00 0.00 C ATOM 875 NH1 ARG B 57 9.417 -15.429 -11.250 1.00 0.00 N ATOM 876 NH2 ARG B 57 10.867 -17.012 -10.445 1.00 0.00 N ATOM 0 H ARG B 57 7.101 -13.873 -4.626 1.00 0.00 H new ATOM 0 HA ARG B 57 9.259 -11.954 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG B 57 7.140 -13.170 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG B 57 8.364 -12.011 -7.575 1.00 0.00 H new ATOM 0 HG2 ARG B 57 10.139 -13.664 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG B 57 8.915 -14.822 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG B 57 7.930 -14.714 -8.851 1.00 0.00 H new ATOM 0 HD3 ARG B 57 9.186 -13.588 -9.326 1.00 0.00 H new ATOM 0 HE ARG B 57 10.333 -16.010 -8.225 1.00 0.00 H new ATOM 0 HH11 ARG B 57 8.778 -14.651 -11.087 1.00 0.00 H new ATOM 0 HH12 ARG B 57 9.572 -15.773 -12.198 1.00 0.00 H new ATOM 0 HH21 ARG B 57 11.347 -17.456 -9.662 1.00 0.00 H new ATOM 0 HH22 ARG B 57 11.019 -17.352 -11.395 1.00 0.00 H new ATOM 890 N TRP B 58 7.665 -10.007 -5.261 1.00 0.00 N ATOM 891 CA TRP B 58 6.754 -8.889 -5.092 1.00 0.00 C ATOM 892 C TRP B 58 5.951 -8.674 -6.364 1.00 0.00 C ATOM 893 O TRP B 58 6.512 -8.579 -7.457 1.00 0.00 O ATOM 894 CB TRP B 58 7.511 -7.611 -4.724 1.00 0.00 C ATOM 895 CG TRP B 58 8.136 -7.660 -3.364 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.424 -7.997 -3.061 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.496 -7.363 -2.118 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.621 -7.926 -1.704 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.455 -7.539 -1.104 1.00 0.00 C ATOM 900 CE3 TRP B 58 6.205 -6.964 -1.760 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.164 -7.331 0.240 1.00 0.00 C ATOM 902 CZ3 TRP B 58 5.917 -6.759 -0.425 1.00 0.00 C ATOM 903 CH2 TRP B 58 6.893 -6.941 0.561 1.00 0.00 C ATOM 0 H TRP B 58 8.640 -9.744 -5.405 1.00 0.00 H new ATOM 0 HA TRP B 58 6.073 -9.126 -4.274 1.00 0.00 H new ATOM 0 HB2 TRP B 58 8.288 -7.432 -5.467 1.00 0.00 H new ATOM 0 HB3 TRP B 58 6.825 -6.765 -4.770 1.00 0.00 H new ATOM 0 HD1 TRP B 58 10.177 -8.278 -3.782 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.496 -8.129 -1.221 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.446 -6.819 -2.514 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 8.915 -7.472 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 4.922 -6.453 -0.137 1.00 0.00 H new ATOM 0 HH2 TRP B 58 6.638 -6.770 1.596 1.00 0.00 H new ATOM 914 N LYS B 59 4.640 -8.645 -6.218 1.00 0.00 N ATOM 915 CA LYS B 59 3.750 -8.377 -7.335 1.00 0.00 C ATOM 916 C LYS B 59 3.222 -6.956 -7.244 1.00 0.00 C ATOM 917 O LYS B 59 2.974 -6.457 -6.147 1.00 0.00 O ATOM 918 CB LYS B 59 2.589 -9.370 -7.345 1.00 0.00 C ATOM 919 CG LYS B 59 3.019 -10.808 -7.586 1.00 0.00 C ATOM 920 CD LYS B 59 1.831 -11.761 -7.600 1.00 0.00 C ATOM 921 CE LYS B 59 0.790 -11.366 -8.642 1.00 0.00 C ATOM 922 NZ LYS B 59 1.367 -11.254 -10.007 1.00 0.00 N ATOM 0 H LYS B 59 4.164 -8.805 -5.330 1.00 0.00 H new ATOM 0 HA LYS B 59 4.309 -8.491 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS B 59 2.064 -9.312 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.879 -9.078 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.549 -10.874 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.720 -11.113 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS B 59 2.181 -12.773 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS B 59 1.368 -11.777 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -0.011 -12.105 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS B 59 0.342 -10.413 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 0.601 -11.118 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 2.015 -10.442 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 1.889 -12.124 -10.236 1.00 0.00 H new ATOM 936 N GLU B 60 3.043 -6.307 -8.386 1.00 0.00 N ATOM 937 CA GLU B 60 2.574 -4.931 -8.395 1.00 0.00 C ATOM 938 C GLU B 60 1.189 -4.839 -9.010 1.00 0.00 C ATOM 939 O GLU B 60 0.973 -5.243 -10.152 1.00 0.00 O ATOM 940 CB GLU B 60 3.515 -4.008 -9.184 1.00 0.00 C ATOM 941 CG GLU B 60 4.954 -3.976 -8.692 1.00 0.00 C ATOM 942 CD GLU B 60 5.755 -5.176 -9.142 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.465 -5.769 -8.312 1.00 0.00 O ATOM 944 OE2 GLU B 60 5.671 -5.539 -10.337 1.00 0.00 O ATOM 0 H GLU B 60 3.214 -6.707 -9.309 1.00 0.00 H new ATOM 0 HA GLU B 60 2.548 -4.606 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.512 -4.320 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.115 -2.995 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU B 60 5.436 -3.067 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU B 60 4.960 -3.929 -7.603 1.00 0.00 H new ATOM 951 N ALA B 61 0.260 -4.297 -8.251 1.00 0.00 N ATOM 952 CA ALA B 61 -1.060 -3.995 -8.763 1.00 0.00 C ATOM 953 C ALA B 61 -1.294 -2.497 -8.700 1.00 0.00 C ATOM 954 O ALA B 61 -1.299 -1.911 -7.619 1.00 0.00 O ATOM 955 CB ALA B 61 -2.124 -4.738 -7.972 1.00 0.00 C ATOM 0 H ALA B 61 0.397 -4.055 -7.270 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.125 -4.323 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.109 -4.498 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -1.952 -5.812 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.075 -4.438 -6.925 1.00 0.00 H new ATOM 961 N THR B 62 -1.451 -1.875 -9.854 1.00 0.00 N ATOM 962 CA THR B 62 -1.667 -0.442 -9.913 1.00 0.00 C ATOM 963 C THR B 62 -3.155 -0.119 -9.880 1.00 0.00 C ATOM 964 O THR B 62 -3.920 -0.549 -10.747 1.00 0.00 O ATOM 965 CB THR B 62 -1.028 0.168 -11.175 1.00 0.00 C ATOM 966 OG1 THR B 62 0.369 -0.154 -11.214 1.00 0.00 O ATOM 967 CG2 THR B 62 -1.199 1.678 -11.192 1.00 0.00 C ATOM 0 H THR B 62 -1.433 -2.339 -10.762 1.00 0.00 H new ATOM 0 HA THR B 62 -1.189 -0.003 -9.038 1.00 0.00 H new ATOM 0 HB THR B 62 -1.528 -0.250 -12.049 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.772 0.234 -12.019 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.740 2.086 -12.092 1.00 0.00 H new ATOM 0 HG22 THR B 62 -2.261 1.924 -11.183 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.719 2.108 -10.313 1.00 0.00 H new ATOM 975 N ILE B 63 -3.561 0.613 -8.857 1.00 0.00 N ATOM 976 CA ILE B 63 -4.939 1.038 -8.711 1.00 0.00 C ATOM 977 C ILE B 63 -5.039 2.543 -8.933 1.00 0.00 C ATOM 978 O ILE B 63 -4.300 3.311 -8.316 1.00 0.00 O ATOM 979 CB ILE B 63 -5.504 0.698 -7.308 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.411 -0.802 -7.014 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.947 1.160 -7.191 1.00 0.00 C ATOM 982 CD1 ILE B 63 -4.104 -1.228 -6.379 1.00 0.00 C ATOM 0 H ILE B 63 -2.945 0.928 -8.107 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.527 0.502 -9.455 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.897 1.226 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.232 -1.084 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.547 -1.353 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.329 0.914 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.997 2.238 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.552 0.660 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.118 -2.304 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.278 -0.980 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.973 -0.707 -5.431 1.00 0.00 H new ATOM 994 N PRO B 64 -5.926 2.976 -9.847 1.00 0.00 N ATOM 995 CA PRO B 64 -6.185 4.398 -10.098 1.00 0.00 C ATOM 996 C PRO B 64 -6.416 5.182 -8.808 1.00 0.00 C ATOM 997 O PRO B 64 -7.023 4.675 -7.863 1.00 0.00 O ATOM 998 CB PRO B 64 -7.458 4.372 -10.944 1.00 0.00 C ATOM 999 CG PRO B 64 -7.391 3.077 -11.670 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.732 2.108 -10.727 1.00 0.00 C ATOM 0 HA PRO B 64 -5.342 4.892 -10.581 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.351 4.433 -10.321 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.493 5.214 -11.635 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.387 2.734 -11.949 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.818 3.175 -12.592 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.467 1.536 -10.162 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.110 1.389 -11.260 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.957 6.430 -8.796 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.966 7.234 -7.581 1.00 0.00 C ATOM 1010 C GLY B 65 -7.356 7.559 -7.060 1.00 0.00 C ATOM 1011 O GLY B 65 -7.497 8.147 -5.990 1.00 0.00 O ATOM 0 H GLY B 65 -5.575 6.905 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.414 6.705 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -5.434 8.166 -7.772 1.00 0.00 H new ATOM 1015 N HIS B 66 -8.385 7.174 -7.800 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.755 7.440 -7.382 1.00 0.00 C ATOM 1017 C HIS B 66 -10.425 6.183 -6.831 1.00 0.00 C ATOM 1018 O HIS B 66 -11.648 6.133 -6.696 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.579 8.032 -8.534 1.00 0.00 C ATOM 1020 CG HIS B 66 -10.595 7.204 -9.786 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.778 7.461 -10.865 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -11.348 6.134 -10.136 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -10.029 6.588 -11.823 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -10.975 5.772 -11.405 1.00 0.00 N ATOM 0 H HIS B 66 -8.300 6.679 -8.688 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.713 8.176 -6.579 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.605 8.171 -8.194 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -10.186 9.020 -8.773 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -12.102 5.655 -9.529 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -9.542 6.549 -12.786 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -11.367 4.996 -11.939 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.627 5.166 -6.526 1.00 0.00 N ATOM 1034 CA LEU B 67 -10.140 3.956 -5.891 1.00 0.00 C ATOM 1035 C LEU B 67 -9.478 3.765 -4.532 1.00 0.00 C ATOM 1036 O LEU B 67 -8.333 4.175 -4.330 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.896 2.717 -6.758 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.475 2.761 -8.174 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.222 1.446 -8.889 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.965 3.071 -8.143 1.00 0.00 C ATOM 0 H LEU B 67 -8.623 5.154 -6.708 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.216 4.076 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.820 2.557 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.313 1.851 -6.244 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.974 3.559 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.640 1.493 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.149 1.265 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.696 0.635 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.353 3.097 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.485 2.299 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -12.125 4.039 -7.669 1.00 0.00 H new ATOM 1052 N ASN B 68 -10.196 3.149 -3.604 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.689 2.964 -2.249 1.00 0.00 C ATOM 1054 C ASN B 68 -9.784 1.505 -1.813 1.00 0.00 C ATOM 1055 O ASN B 68 -9.795 1.212 -0.618 1.00 0.00 O ATOM 1056 CB ASN B 68 -10.458 3.844 -1.251 1.00 0.00 C ATOM 1057 CG ASN B 68 -10.328 5.341 -1.509 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -11.243 6.110 -1.210 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -9.198 5.776 -2.049 1.00 0.00 N ATOM 0 H ASN B 68 -11.129 2.769 -3.762 1.00 0.00 H new ATOM 0 HA ASN B 68 -8.640 3.260 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -11.513 3.572 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -10.102 3.628 -0.244 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -9.068 6.772 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -8.458 5.115 -2.286 1.00 0.00 H new ATOM 1066 N SER B 69 -9.856 0.591 -2.774 1.00 0.00 N ATOM 1067 CA SER B 69 -9.906 -0.828 -2.455 1.00 0.00 C ATOM 1068 C SER B 69 -9.481 -1.682 -3.647 1.00 0.00 C ATOM 1069 O SER B 69 -9.736 -1.333 -4.803 1.00 0.00 O ATOM 1070 CB SER B 69 -11.311 -1.221 -1.984 1.00 0.00 C ATOM 1071 OG SER B 69 -12.302 -0.799 -2.906 1.00 0.00 O ATOM 0 H SER B 69 -9.881 0.806 -3.771 1.00 0.00 H new ATOM 0 HA SER B 69 -9.200 -1.014 -1.645 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.365 -2.302 -1.859 1.00 0.00 H new ATOM 0 HB3 SER B 69 -11.507 -0.777 -1.008 1.00 0.00 H new ATOM 0 HG SER B 69 -13.187 -1.065 -2.580 1.00 0.00 H new ATOM 1077 N TYR B 70 -8.815 -2.789 -3.353 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.381 -3.729 -4.375 1.00 0.00 C ATOM 1079 C TYR B 70 -8.636 -5.159 -3.911 1.00 0.00 C ATOM 1080 O TYR B 70 -8.498 -5.469 -2.731 1.00 0.00 O ATOM 1081 CB TYR B 70 -6.892 -3.524 -4.681 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.324 -4.513 -5.677 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -5.434 -5.500 -5.272 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -6.684 -4.466 -7.015 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -4.920 -6.411 -6.176 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -6.174 -5.372 -7.924 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.293 -6.343 -7.500 1.00 0.00 C ATOM 1088 OH TYR B 70 -4.787 -7.250 -8.401 1.00 0.00 O ATOM 0 H TYR B 70 -8.561 -3.060 -2.403 1.00 0.00 H new ATOM 0 HA TYR B 70 -8.951 -3.551 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -6.747 -2.514 -5.065 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.328 -3.596 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -5.139 -5.556 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -7.375 -3.708 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -4.229 -7.172 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -6.464 -5.320 -8.963 1.00 0.00 H new ATOM 0 HH TYR B 70 -5.151 -7.064 -9.292 1.00 0.00 H new ATOM 1098 N THR B 71 -9.032 -6.020 -4.833 1.00 0.00 N ATOM 1099 CA THR B 71 -9.231 -7.424 -4.523 1.00 0.00 C ATOM 1100 C THR B 71 -8.023 -8.240 -4.972 1.00 0.00 C ATOM 1101 O THR B 71 -7.826 -8.465 -6.168 1.00 0.00 O ATOM 1102 CB THR B 71 -10.500 -7.969 -5.203 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.605 -7.093 -4.942 1.00 0.00 O ATOM 1104 CG2 THR B 71 -10.829 -9.368 -4.700 1.00 0.00 C ATOM 0 H THR B 71 -9.222 -5.770 -5.803 1.00 0.00 H new ATOM 0 HA THR B 71 -9.350 -7.513 -3.443 1.00 0.00 H new ATOM 0 HB THR B 71 -10.317 -8.021 -6.276 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.410 -7.443 -5.378 1.00 0.00 H new ATOM 0 HG21 THR B 71 -11.730 -9.730 -5.196 1.00 0.00 H new ATOM 0 HG22 THR B 71 -9.999 -10.039 -4.921 1.00 0.00 H new ATOM 0 HG23 THR B 71 -10.995 -9.338 -3.623 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.206 -8.663 -4.017 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.031 -9.464 -4.327 1.00 0.00 C ATOM 1114 C ILE B 72 -6.433 -10.922 -4.488 1.00 0.00 C ATOM 1115 O ILE B 72 -6.910 -11.545 -3.539 1.00 0.00 O ATOM 1116 CB ILE B 72 -4.951 -9.378 -3.228 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.674 -7.922 -2.841 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -3.670 -10.051 -3.703 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.638 -7.776 -1.746 1.00 0.00 C ATOM 0 H ILE B 72 -7.335 -8.465 -3.025 1.00 0.00 H new ATOM 0 HA ILE B 72 -5.612 -9.066 -5.251 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.320 -9.897 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.338 -7.377 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.604 -7.458 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -2.913 -9.986 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -3.871 -11.099 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.308 -9.551 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.491 -6.719 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -3.981 -8.293 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.695 -8.211 -2.077 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.251 -11.456 -5.683 1.00 0.00 N ATOM 1132 CA LYS B 73 -6.636 -12.828 -5.968 1.00 0.00 C ATOM 1133 C LYS B 73 -5.399 -13.696 -6.150 1.00 0.00 C ATOM 1134 O LYS B 73 -4.487 -13.341 -6.895 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.522 -12.879 -7.215 1.00 0.00 C ATOM 1136 CG LYS B 73 -8.766 -12.016 -7.089 1.00 0.00 C ATOM 1137 CD LYS B 73 -9.670 -12.130 -8.304 1.00 0.00 C ATOM 1138 CE LYS B 73 -10.888 -11.233 -8.162 1.00 0.00 C ATOM 1139 NZ LYS B 73 -11.833 -11.375 -9.301 1.00 0.00 N ATOM 0 H LYS B 73 -5.838 -10.960 -6.473 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.206 -13.217 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -6.944 -12.552 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -7.819 -13.911 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -9.320 -12.309 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.472 -10.975 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -9.115 -11.857 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -9.989 -13.165 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -11.405 -11.472 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -10.565 -10.195 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -12.647 -10.743 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -11.350 -11.122 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -12.164 -12.359 -9.356 1.00 0.00 H new ATOM 1153 N GLY B 74 -5.371 -14.823 -5.456 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.230 -15.712 -5.525 1.00 0.00 C ATOM 1155 C GLY B 74 -3.501 -15.806 -4.200 1.00 0.00 C ATOM 1156 O GLY B 74 -2.306 -16.104 -4.159 1.00 0.00 O ATOM 0 H GLY B 74 -6.122 -15.139 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -4.562 -16.705 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -3.542 -15.359 -6.293 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.222 -15.540 -3.120 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.656 -15.606 -1.777 1.00 0.00 C ATOM 1162 C LEU B 75 -4.112 -16.878 -1.073 1.00 0.00 C ATOM 1163 O LEU B 75 -5.277 -17.259 -1.166 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.083 -14.389 -0.955 1.00 0.00 C ATOM 1165 CG LEU B 75 -3.608 -13.030 -1.474 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.157 -11.920 -0.600 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.088 -12.972 -1.521 1.00 0.00 C ATOM 0 H LEU B 75 -5.207 -15.275 -3.147 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.570 -15.613 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.172 -14.375 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.715 -14.516 0.063 1.00 0.00 H new ATOM 0 HG LEU B 75 -3.982 -12.895 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -3.814 -10.957 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.246 -11.949 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.806 -12.055 0.423 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -1.772 -11.997 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.687 -13.125 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -1.714 -13.752 -2.185 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.197 -17.528 -0.369 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.524 -18.739 0.370 1.00 0.00 C ATOM 1181 C LYS B 76 -3.883 -18.400 1.814 1.00 0.00 C ATOM 1182 O LYS B 76 -3.073 -17.823 2.540 1.00 0.00 O ATOM 1183 CB LYS B 76 -2.338 -19.706 0.359 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.841 -20.063 -1.032 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.634 -20.984 -0.962 1.00 0.00 C ATOM 1186 CE LYS B 76 -0.064 -21.273 -2.341 1.00 0.00 C ATOM 1187 NZ LYS B 76 -1.044 -21.956 -3.226 1.00 0.00 N ATOM 0 H LYS B 76 -2.222 -17.237 -0.294 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.379 -19.211 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.517 -19.264 0.924 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.625 -20.621 0.877 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -2.640 -20.547 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.578 -19.154 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS B 76 0.135 -20.528 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -0.919 -21.921 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS B 76 0.251 -20.338 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS B 76 0.826 -21.894 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 -0.575 -22.238 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -1.415 -22.801 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 -1.828 -21.308 -3.441 1.00 0.00 H new ATOM 1201 N PRO B 77 -5.100 -18.759 2.254 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.523 -18.566 3.644 1.00 0.00 C ATOM 1203 C PRO B 77 -4.644 -19.345 4.614 1.00 0.00 C ATOM 1204 O PRO B 77 -4.368 -20.530 4.404 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.960 -19.102 3.669 1.00 0.00 C ATOM 1206 CG PRO B 77 -7.401 -19.087 2.246 1.00 0.00 C ATOM 1207 CD PRO B 77 -6.167 -19.353 1.432 1.00 0.00 C ATOM 0 HA PRO B 77 -5.448 -17.524 3.954 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -6.999 -20.109 4.084 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.604 -18.477 4.288 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -8.161 -19.847 2.064 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.843 -18.126 1.984 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -6.009 -20.420 1.274 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.224 -18.890 0.447 1.00 0.00 H new ATOM 1215 N GLY B 78 -4.189 -18.675 5.663 1.00 0.00 N ATOM 1216 CA GLY B 78 -3.327 -19.314 6.638 1.00 0.00 C ATOM 1217 C GLY B 78 -1.881 -18.921 6.446 1.00 0.00 C ATOM 1218 O GLY B 78 -1.096 -18.900 7.396 1.00 0.00 O ATOM 0 H GLY B 78 -4.402 -17.697 5.857 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.648 -19.040 7.643 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -3.424 -20.397 6.556 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.536 -18.597 5.211 1.00 0.00 N ATOM 1223 CA VAL B 79 -0.191 -18.164 4.878 1.00 0.00 C ATOM 1224 C VAL B 79 -0.073 -16.661 5.085 1.00 0.00 C ATOM 1225 O VAL B 79 -0.940 -15.901 4.657 1.00 0.00 O ATOM 1226 CB VAL B 79 0.159 -18.518 3.416 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.538 -18.014 3.038 1.00 0.00 C ATOM 1228 CG2 VAL B 79 0.082 -20.018 3.195 1.00 0.00 C ATOM 0 H VAL B 79 -2.176 -18.627 4.417 1.00 0.00 H new ATOM 0 HA VAL B 79 0.510 -18.682 5.533 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.573 -18.024 2.777 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.752 -18.280 2.003 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.572 -16.930 3.148 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.283 -18.469 3.691 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.332 -20.246 2.159 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.787 -20.520 3.858 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -0.928 -20.366 3.410 1.00 0.00 H new ATOM 1238 N VAL B 80 0.984 -16.233 5.761 1.00 0.00 N ATOM 1239 CA VAL B 80 1.167 -14.819 6.047 1.00 0.00 C ATOM 1240 C VAL B 80 1.820 -14.106 4.864 1.00 0.00 C ATOM 1241 O VAL B 80 2.735 -14.634 4.223 1.00 0.00 O ATOM 1242 CB VAL B 80 1.989 -14.589 7.340 1.00 0.00 C ATOM 1243 CG1 VAL B 80 1.251 -15.149 8.545 1.00 0.00 C ATOM 1244 CG2 VAL B 80 3.373 -15.203 7.236 1.00 0.00 C ATOM 0 H VAL B 80 1.722 -16.840 6.119 1.00 0.00 H new ATOM 0 HA VAL B 80 0.177 -14.394 6.209 1.00 0.00 H new ATOM 0 HB VAL B 80 2.111 -13.513 7.469 1.00 0.00 H new ATOM 0 HG11 VAL B 80 1.842 -14.979 9.445 1.00 0.00 H new ATOM 0 HG12 VAL B 80 0.287 -14.651 8.645 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.094 -16.219 8.411 1.00 0.00 H new ATOM 0 HG21 VAL B 80 3.922 -15.022 8.160 1.00 0.00 H new ATOM 0 HG22 VAL B 80 3.283 -16.277 7.071 1.00 0.00 H new ATOM 0 HG23 VAL B 80 3.910 -14.751 6.402 1.00 0.00 H new ATOM 1254 N TYR B 81 1.320 -12.918 4.559 1.00 0.00 N ATOM 1255 CA TYR B 81 1.837 -12.122 3.456 1.00 0.00 C ATOM 1256 C TYR B 81 2.195 -10.722 3.931 1.00 0.00 C ATOM 1257 O TYR B 81 1.653 -10.236 4.929 1.00 0.00 O ATOM 1258 CB TYR B 81 0.800 -12.016 2.333 1.00 0.00 C ATOM 1259 CG TYR B 81 0.460 -13.325 1.660 1.00 0.00 C ATOM 1260 CD1 TYR B 81 -0.607 -14.100 2.096 1.00 0.00 C ATOM 1261 CD2 TYR B 81 1.200 -13.779 0.579 1.00 0.00 C ATOM 1262 CE1 TYR B 81 -0.921 -15.294 1.474 1.00 0.00 C ATOM 1263 CE2 TYR B 81 0.893 -14.970 -0.048 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.168 -15.724 0.403 1.00 0.00 C ATOM 1265 OH TYR B 81 -0.474 -16.911 -0.222 1.00 0.00 O ATOM 0 H TYR B 81 0.550 -12.481 5.065 1.00 0.00 H new ATOM 0 HA TYR B 81 2.731 -12.618 3.078 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.114 -11.585 2.741 1.00 0.00 H new ATOM 0 HB3 TYR B 81 1.171 -11.321 1.579 1.00 0.00 H new ATOM 0 HD1 TYR B 81 -1.200 -13.765 2.934 1.00 0.00 H new ATOM 0 HD2 TYR B 81 2.032 -13.190 0.221 1.00 0.00 H new ATOM 0 HE1 TYR B 81 -1.752 -15.887 1.826 1.00 0.00 H new ATOM 0 HE2 TYR B 81 1.482 -15.309 -0.888 1.00 0.00 H new ATOM 0 HH TYR B 81 0.155 -17.065 -0.958 1.00 0.00 H new ATOM 1275 N GLU B 82 3.098 -10.079 3.205 1.00 0.00 N ATOM 1276 CA GLU B 82 3.465 -8.698 3.479 1.00 0.00 C ATOM 1277 C GLU B 82 2.796 -7.792 2.459 1.00 0.00 C ATOM 1278 O GLU B 82 2.711 -8.143 1.282 1.00 0.00 O ATOM 1279 CB GLU B 82 4.983 -8.517 3.403 1.00 0.00 C ATOM 1280 CG GLU B 82 5.757 -9.321 4.431 1.00 0.00 C ATOM 1281 CD GLU B 82 5.459 -8.899 5.855 1.00 0.00 C ATOM 1282 OE1 GLU B 82 5.652 -7.709 6.180 1.00 0.00 O ATOM 1283 OE2 GLU B 82 5.057 -9.766 6.664 1.00 0.00 O ATOM 0 H GLU B 82 3.593 -10.496 2.416 1.00 0.00 H new ATOM 0 HA GLU B 82 3.134 -8.438 4.485 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.322 -8.800 2.406 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.219 -7.461 3.532 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.518 -10.378 4.313 1.00 0.00 H new ATOM 0 HG3 GLU B 82 6.825 -9.212 4.241 1.00 0.00 H new ATOM 1290 N GLY B 83 2.319 -6.642 2.906 1.00 0.00 N ATOM 1291 CA GLY B 83 1.635 -5.733 2.016 1.00 0.00 C ATOM 1292 C GLY B 83 2.247 -4.350 2.023 1.00 0.00 C ATOM 1293 O GLY B 83 2.478 -3.768 3.086 1.00 0.00 O ATOM 0 H GLY B 83 2.394 -6.322 3.872 1.00 0.00 H new ATOM 0 HA2 GLY B 83 1.660 -6.133 1.003 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.586 -5.665 2.306 1.00 0.00 H new ATOM 1297 N GLN B 84 2.516 -3.825 0.840 1.00 0.00 N ATOM 1298 CA GLN B 84 3.073 -2.491 0.698 1.00 0.00 C ATOM 1299 C GLN B 84 2.172 -1.649 -0.194 1.00 0.00 C ATOM 1300 O GLN B 84 2.006 -1.948 -1.379 1.00 0.00 O ATOM 1301 CB GLN B 84 4.480 -2.559 0.096 1.00 0.00 C ATOM 1302 CG GLN B 84 5.404 -3.537 0.802 1.00 0.00 C ATOM 1303 CD GLN B 84 5.644 -3.182 2.254 1.00 0.00 C ATOM 1304 OE1 GLN B 84 5.656 -2.010 2.627 1.00 0.00 O ATOM 1305 NE2 GLN B 84 5.834 -4.195 3.082 1.00 0.00 N ATOM 0 H GLN B 84 2.356 -4.308 -0.044 1.00 0.00 H new ATOM 0 HA GLN B 84 3.137 -2.032 1.685 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.402 -2.841 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.926 -1.565 0.127 1.00 0.00 H new ATOM 0 HG2 GLN B 84 4.977 -4.538 0.744 1.00 0.00 H new ATOM 0 HG3 GLN B 84 6.360 -3.568 0.279 1.00 0.00 H new ATOM 0 HE21 GLN B 84 5.816 -5.152 2.730 1.00 0.00 H new ATOM 0 HE22 GLN B 84 5.999 -4.020 4.073 1.00 0.00 H new ATOM 1314 N LEU B 85 1.572 -0.616 0.377 1.00 0.00 N ATOM 1315 CA LEU B 85 0.721 0.284 -0.387 1.00 0.00 C ATOM 1316 C LEU B 85 1.502 1.551 -0.727 1.00 0.00 C ATOM 1317 O LEU B 85 1.684 2.427 0.120 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.554 0.607 0.414 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.699 1.303 -0.348 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.445 2.794 -0.496 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -1.904 0.669 -1.719 1.00 0.00 C ATOM 0 H LEU B 85 1.658 -0.380 1.366 1.00 0.00 H new ATOM 0 HA LEU B 85 0.417 -0.193 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -0.939 -0.325 0.828 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.274 1.239 1.257 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.607 1.170 0.240 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.272 3.252 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.362 3.249 0.491 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.518 2.952 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.717 1.177 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -0.988 0.761 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.153 -0.385 -1.599 1.00 0.00 H new ATOM 1333 N ILE B 86 1.978 1.632 -1.963 1.00 0.00 N ATOM 1334 CA ILE B 86 2.768 2.773 -2.405 1.00 0.00 C ATOM 1335 C ILE B 86 1.878 3.777 -3.124 1.00 0.00 C ATOM 1336 O ILE B 86 1.401 3.517 -4.229 1.00 0.00 O ATOM 1337 CB ILE B 86 3.931 2.372 -3.352 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.792 1.252 -2.754 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.804 3.582 -3.656 1.00 0.00 C ATOM 1340 CD1 ILE B 86 4.252 -0.142 -2.988 1.00 0.00 C ATOM 0 H ILE B 86 1.830 0.920 -2.678 1.00 0.00 H new ATOM 0 HA ILE B 86 3.203 3.213 -1.508 1.00 0.00 H new ATOM 0 HB ILE B 86 3.486 2.000 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.795 1.316 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE B 86 4.887 1.417 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.616 3.287 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.202 4.353 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.220 3.973 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.921 -0.872 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE B 86 3.262 -0.228 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.184 -0.331 -4.059 1.00 0.00 H new ATOM 1352 N SER B 87 1.646 4.910 -2.491 1.00 0.00 N ATOM 1353 CA SER B 87 0.841 5.961 -3.087 1.00 0.00 C ATOM 1354 C SER B 87 1.727 6.927 -3.863 1.00 0.00 C ATOM 1355 O SER B 87 2.605 7.573 -3.287 1.00 0.00 O ATOM 1356 CB SER B 87 0.075 6.710 -2.000 1.00 0.00 C ATOM 1357 OG SER B 87 -0.635 5.808 -1.173 1.00 0.00 O ATOM 0 H SER B 87 2.004 5.128 -1.561 1.00 0.00 H new ATOM 0 HA SER B 87 0.128 5.510 -3.777 1.00 0.00 H new ATOM 0 HB2 SER B 87 0.770 7.294 -1.396 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.620 7.414 -2.458 1.00 0.00 H new ATOM 0 HG SER B 87 -1.592 5.861 -1.377 1.00 0.00 H new ATOM 1363 N ILE B 88 1.507 7.007 -5.167 1.00 0.00 N ATOM 1364 CA ILE B 88 2.282 7.896 -6.016 1.00 0.00 C ATOM 1365 C ILE B 88 1.537 9.203 -6.226 1.00 0.00 C ATOM 1366 O ILE B 88 0.467 9.223 -6.835 1.00 0.00 O ATOM 1367 CB ILE B 88 2.574 7.262 -7.393 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.209 5.879 -7.226 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.482 8.171 -8.213 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.533 5.892 -6.498 1.00 0.00 C ATOM 0 H ILE B 88 0.797 6.466 -5.660 1.00 0.00 H new ATOM 0 HA ILE B 88 3.230 8.080 -5.510 1.00 0.00 H new ATOM 0 HB ILE B 88 1.630 7.143 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.515 5.235 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.353 5.436 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.679 7.711 -9.181 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.994 9.134 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.423 8.319 -7.683 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.916 4.874 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.245 6.507 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.395 6.304 -5.498 1.00 0.00 H new ATOM 1382 N GLN B 89 2.091 10.286 -5.710 1.00 0.00 N ATOM 1383 CA GLN B 89 1.481 11.596 -5.868 1.00 0.00 C ATOM 1384 C GLN B 89 1.960 12.269 -7.145 1.00 0.00 C ATOM 1385 O GLN B 89 2.990 11.887 -7.707 1.00 0.00 O ATOM 1386 CB GLN B 89 1.795 12.485 -4.666 1.00 0.00 C ATOM 1387 CG GLN B 89 1.209 11.982 -3.359 1.00 0.00 C ATOM 1388 CD GLN B 89 1.631 12.829 -2.178 1.00 0.00 C ATOM 1389 OE1 GLN B 89 1.883 14.026 -2.316 1.00 0.00 O ATOM 1390 NE2 GLN B 89 1.713 12.216 -1.010 1.00 0.00 N ATOM 0 H GLN B 89 2.961 10.285 -5.178 1.00 0.00 H new ATOM 0 HA GLN B 89 0.402 11.455 -5.932 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.877 12.567 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN B 89 1.417 13.489 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN B 89 0.121 11.976 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.523 10.951 -3.195 1.00 0.00 H new ATOM 0 HE21 GLN B 89 1.495 11.222 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN B 89 1.994 12.737 -0.179 1.00 0.00 H new ATOM 1399 N GLN B 90 1.223 13.279 -7.587 1.00 0.00 N ATOM 1400 CA GLN B 90 1.575 14.031 -8.791 1.00 0.00 C ATOM 1401 C GLN B 90 2.974 14.630 -8.674 1.00 0.00 C ATOM 1402 O GLN B 90 3.713 14.716 -9.652 1.00 0.00 O ATOM 1403 CB GLN B 90 0.566 15.154 -9.023 1.00 0.00 C ATOM 1404 CG GLN B 90 -0.866 14.670 -9.178 1.00 0.00 C ATOM 1405 CD GLN B 90 -1.856 15.805 -9.366 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -2.879 15.645 -10.035 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -1.569 16.957 -8.776 1.00 0.00 N ATOM 0 H GLN B 90 0.371 13.601 -7.128 1.00 0.00 H new ATOM 0 HA GLN B 90 1.558 13.340 -9.634 1.00 0.00 H new ATOM 0 HB2 GLN B 90 0.615 15.852 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN B 90 0.852 15.707 -9.918 1.00 0.00 H new ATOM 0 HG2 GLN B 90 -0.926 13.997 -10.033 1.00 0.00 H new ATOM 0 HG3 GLN B 90 -1.146 14.092 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -0.712 17.051 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -2.205 17.749 -8.868 1.00 0.00 H new ATOM 1416 N TYR B 91 3.336 15.015 -7.457 1.00 0.00 N ATOM 1417 CA TYR B 91 4.597 15.704 -7.201 1.00 0.00 C ATOM 1418 C TYR B 91 5.759 14.720 -7.086 1.00 0.00 C ATOM 1419 O TYR B 91 6.852 15.086 -6.651 1.00 0.00 O ATOM 1420 CB TYR B 91 4.488 16.523 -5.913 1.00 0.00 C ATOM 1421 CG TYR B 91 3.340 17.506 -5.906 1.00 0.00 C ATOM 1422 CD1 TYR B 91 3.528 18.828 -6.291 1.00 0.00 C ATOM 1423 CD2 TYR B 91 2.070 17.111 -5.512 1.00 0.00 C ATOM 1424 CE1 TYR B 91 2.478 19.726 -6.283 1.00 0.00 C ATOM 1425 CE2 TYR B 91 1.017 18.002 -5.504 1.00 0.00 C ATOM 1426 CZ TYR B 91 1.225 19.308 -5.888 1.00 0.00 C ATOM 1427 OH TYR B 91 0.175 20.197 -5.874 1.00 0.00 O ATOM 0 H TYR B 91 2.769 14.860 -6.623 1.00 0.00 H new ATOM 0 HA TYR B 91 4.795 16.365 -8.045 1.00 0.00 H new ATOM 0 HB2 TYR B 91 4.375 15.842 -5.070 1.00 0.00 H new ATOM 0 HB3 TYR B 91 5.420 17.067 -5.760 1.00 0.00 H new ATOM 0 HD1 TYR B 91 4.509 19.158 -6.601 1.00 0.00 H new ATOM 0 HD2 TYR B 91 1.903 16.089 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR B 91 2.638 20.751 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR B 91 0.034 17.677 -5.198 1.00 0.00 H new ATOM 0 HH TYR B 91 -0.282 20.150 -5.008 1.00 0.00 H new ATOM 1437 N GLY B 92 5.515 13.469 -7.453 1.00 0.00 N ATOM 1438 CA GLY B 92 6.561 12.464 -7.416 1.00 0.00 C ATOM 1439 C GLY B 92 6.832 11.959 -6.014 1.00 0.00 C ATOM 1440 O GLY B 92 7.846 11.305 -5.767 1.00 0.00 O ATOM 0 H GLY B 92 4.609 13.131 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY B 92 6.277 11.626 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY B 92 7.478 12.883 -7.831 1.00 0.00 H new ATOM 1444 N HIS B 93 5.933 12.269 -5.092 1.00 0.00 N ATOM 1445 CA HIS B 93 6.064 11.803 -3.719 1.00 0.00 C ATOM 1446 C HIS B 93 5.516 10.396 -3.585 1.00 0.00 C ATOM 1447 O HIS B 93 4.393 10.119 -4.009 1.00 0.00 O ATOM 1448 CB HIS B 93 5.340 12.731 -2.738 1.00 0.00 C ATOM 1449 CG HIS B 93 6.166 13.886 -2.266 1.00 0.00 C ATOM 1450 ND1 HIS B 93 7.001 13.812 -1.176 1.00 0.00 N ATOM 1451 CD2 HIS B 93 6.275 15.150 -2.735 1.00 0.00 C ATOM 1452 CE1 HIS B 93 7.586 14.979 -0.991 1.00 0.00 C ATOM 1453 NE2 HIS B 93 7.164 15.811 -1.924 1.00 0.00 N ATOM 0 H HIS B 93 5.106 12.840 -5.269 1.00 0.00 H new ATOM 0 HA HIS B 93 7.126 11.806 -3.473 1.00 0.00 H new ATOM 0 HB2 HIS B 93 4.438 13.114 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS B 93 5.020 12.150 -1.873 1.00 0.00 H new ATOM 0 HD2 HIS B 93 5.759 15.563 -3.589 1.00 0.00 H new ATOM 0 HE1 HIS B 93 8.292 15.214 -0.208 1.00 0.00 H new ATOM 0 HE2 HIS B 93 7.451 16.785 -2.026 1.00 0.00 H new ATOM 1462 N GLN B 94 6.317 9.509 -3.021 1.00 0.00 N ATOM 1463 CA GLN B 94 5.880 8.151 -2.773 1.00 0.00 C ATOM 1464 C GLN B 94 5.610 7.957 -1.292 1.00 0.00 C ATOM 1465 O GLN B 94 6.503 8.124 -0.459 1.00 0.00 O ATOM 1466 CB GLN B 94 6.939 7.146 -3.237 1.00 0.00 C ATOM 1467 CG GLN B 94 7.220 7.199 -4.727 1.00 0.00 C ATOM 1468 CD GLN B 94 8.205 6.135 -5.173 1.00 0.00 C ATOM 1469 OE1 GLN B 94 8.302 5.061 -4.575 1.00 0.00 O ATOM 1470 NE2 GLN B 94 8.936 6.423 -6.234 1.00 0.00 N ATOM 0 H GLN B 94 7.273 9.707 -2.727 1.00 0.00 H new ATOM 0 HA GLN B 94 4.963 7.978 -3.337 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.866 7.332 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.612 6.140 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.285 7.076 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.612 8.183 -4.984 1.00 0.00 H new ATOM 0 HE21 GLN B 94 8.825 7.323 -6.700 1.00 0.00 H new ATOM 0 HE22 GLN B 94 9.611 5.745 -6.587 1.00 0.00 H new ATOM 1479 N GLU B 95 4.381 7.608 -0.970 1.00 0.00 N ATOM 1480 CA GLU B 95 4.008 7.316 0.400 1.00 0.00 C ATOM 1481 C GLU B 95 3.662 5.843 0.522 1.00 0.00 C ATOM 1482 O GLU B 95 2.686 5.376 -0.062 1.00 0.00 O ATOM 1483 CB GLU B 95 2.826 8.184 0.828 1.00 0.00 C ATOM 1484 CG GLU B 95 3.162 9.664 0.937 1.00 0.00 C ATOM 1485 CD GLU B 95 4.187 9.954 2.017 1.00 0.00 C ATOM 1486 OE1 GLU B 95 5.365 10.203 1.683 1.00 0.00 O ATOM 1487 OE2 GLU B 95 3.820 9.937 3.211 1.00 0.00 O ATOM 0 H GLU B 95 3.619 7.519 -1.642 1.00 0.00 H new ATOM 0 HA GLU B 95 4.847 7.542 1.059 1.00 0.00 H new ATOM 0 HB2 GLU B 95 2.015 8.056 0.111 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.458 7.832 1.792 1.00 0.00 H new ATOM 0 HG2 GLU B 95 3.541 10.018 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU B 95 2.251 10.225 1.147 1.00 0.00 H new ATOM 1494 N VAL B 96 4.473 5.116 1.267 1.00 0.00 N ATOM 1495 CA VAL B 96 4.324 3.675 1.367 1.00 0.00 C ATOM 1496 C VAL B 96 3.828 3.277 2.746 1.00 0.00 C ATOM 1497 O VAL B 96 4.557 3.382 3.734 1.00 0.00 O ATOM 1498 CB VAL B 96 5.656 2.949 1.082 1.00 0.00 C ATOM 1499 CG1 VAL B 96 5.456 1.441 1.074 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.259 3.426 -0.233 1.00 0.00 C ATOM 0 H VAL B 96 5.244 5.500 1.813 1.00 0.00 H new ATOM 0 HA VAL B 96 3.592 3.377 0.617 1.00 0.00 H new ATOM 0 HB VAL B 96 6.356 3.192 1.882 1.00 0.00 H new ATOM 0 HG11 VAL B 96 6.407 0.949 0.871 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.080 1.119 2.045 1.00 0.00 H new ATOM 0 HG13 VAL B 96 4.737 1.173 0.300 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.197 2.902 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL B 96 5.565 3.220 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.447 4.498 -0.179 1.00 0.00 H new ATOM 1510 N THR B 97 2.591 2.818 2.807 1.00 0.00 N ATOM 1511 CA THR B 97 2.022 2.342 4.051 1.00 0.00 C ATOM 1512 C THR B 97 2.253 0.842 4.181 1.00 0.00 C ATOM 1513 O THR B 97 1.746 0.052 3.381 1.00 0.00 O ATOM 1514 CB THR B 97 0.514 2.640 4.133 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.268 4.012 3.799 1.00 0.00 O ATOM 1516 CG2 THR B 97 -0.011 2.358 5.533 1.00 0.00 C ATOM 0 H THR B 97 1.961 2.765 2.006 1.00 0.00 H new ATOM 0 HA THR B 97 2.516 2.867 4.869 1.00 0.00 H new ATOM 0 HB THR B 97 -0.004 1.993 3.424 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.580 4.299 4.197 1.00 0.00 H new ATOM 0 HG21 THR B 97 -1.079 2.574 5.572 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.156 1.310 5.780 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.513 2.988 6.252 1.00 0.00 H new ATOM 1524 N ARG B 98 3.041 0.459 5.175 1.00 0.00 N ATOM 1525 CA ARG B 98 3.387 -0.937 5.380 1.00 0.00 C ATOM 1526 C ARG B 98 2.333 -1.634 6.228 1.00 0.00 C ATOM 1527 O ARG B 98 1.898 -1.108 7.256 1.00 0.00 O ATOM 1528 CB ARG B 98 4.758 -1.053 6.047 1.00 0.00 C ATOM 1529 CG ARG B 98 5.873 -0.367 5.273 1.00 0.00 C ATOM 1530 CD ARG B 98 7.237 -0.662 5.877 1.00 0.00 C ATOM 1531 NE ARG B 98 7.519 -2.097 5.902 1.00 0.00 N ATOM 1532 CZ ARG B 98 8.424 -2.699 5.131 1.00 0.00 C ATOM 1533 NH1 ARG B 98 9.149 -1.997 4.261 1.00 0.00 N ATOM 1534 NH2 ARG B 98 8.600 -4.009 5.227 1.00 0.00 N ATOM 0 H ARG B 98 3.453 1.099 5.854 1.00 0.00 H new ATOM 0 HA ARG B 98 3.426 -1.425 4.406 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.704 -0.623 7.047 1.00 0.00 H new ATOM 0 HB3 ARG B 98 5.006 -2.108 6.167 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.854 -0.700 4.235 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.703 0.710 5.266 1.00 0.00 H new ATOM 0 HD2 ARG B 98 8.008 -0.150 5.302 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.279 -0.265 6.891 1.00 0.00 H new ATOM 0 HE ARG B 98 6.988 -2.675 6.553 1.00 0.00 H new ATOM 0 HH11 ARG B 98 9.014 -0.989 4.181 1.00 0.00 H new ATOM 0 HH12 ARG B 98 9.839 -2.467 3.675 1.00 0.00 H new ATOM 0 HH21 ARG B 98 8.044 -4.551 5.888 1.00 0.00 H new ATOM 0 HH22 ARG B 98 9.291 -4.475 4.639 1.00 0.00 H new ATOM 1548 N PHE B 99 1.920 -2.812 5.787 1.00 0.00 N ATOM 1549 CA PHE B 99 0.935 -3.604 6.508 1.00 0.00 C ATOM 1550 C PHE B 99 1.132 -5.082 6.196 1.00 0.00 C ATOM 1551 O PHE B 99 2.015 -5.445 5.417 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.491 -3.161 6.143 1.00 0.00 C ATOM 1553 CG PHE B 99 -0.867 -3.384 4.701 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -0.385 -2.552 3.705 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -1.712 -4.424 4.346 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -0.738 -2.751 2.384 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -2.067 -4.628 3.027 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.579 -3.791 2.045 1.00 0.00 C ATOM 0 H PHE B 99 2.255 -3.244 4.926 1.00 0.00 H new ATOM 0 HA PHE B 99 1.074 -3.447 7.578 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.197 -3.698 6.776 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.598 -2.101 6.373 1.00 0.00 H new ATOM 0 HD1 PHE B 99 0.275 -1.737 3.964 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -2.097 -5.083 5.110 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -0.356 -2.093 1.617 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -2.726 -5.442 2.765 1.00 0.00 H new ATOM 0 HZ PHE B 99 -1.855 -3.949 1.013 1.00 0.00 H new ATOM 1568 N ASP B 100 0.323 -5.932 6.805 1.00 0.00 N ATOM 1569 CA ASP B 100 0.401 -7.359 6.552 1.00 0.00 C ATOM 1570 C ASP B 100 -0.989 -7.974 6.622 1.00 0.00 C ATOM 1571 O ASP B 100 -1.873 -7.450 7.303 1.00 0.00 O ATOM 1572 CB ASP B 100 1.340 -8.041 7.558 1.00 0.00 C ATOM 1573 CG ASP B 100 0.699 -8.279 8.912 1.00 0.00 C ATOM 1574 OD1 ASP B 100 0.683 -7.348 9.746 1.00 0.00 O ATOM 1575 OD2 ASP B 100 0.216 -9.407 9.153 1.00 0.00 O ATOM 0 H ASP B 100 -0.394 -5.659 7.477 1.00 0.00 H new ATOM 0 HA ASP B 100 0.807 -7.513 5.552 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.670 -8.995 7.147 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.230 -7.426 7.688 1.00 0.00 H new ATOM 1580 N PHE B 101 -1.185 -9.075 5.915 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.482 -9.734 5.879 1.00 0.00 C ATOM 1582 C PHE B 101 -2.326 -11.248 5.806 1.00 0.00 C ATOM 1583 O PHE B 101 -1.314 -11.758 5.325 1.00 0.00 O ATOM 1584 CB PHE B 101 -3.315 -9.219 4.697 1.00 0.00 C ATOM 1585 CG PHE B 101 -2.583 -9.203 3.382 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -2.601 -10.307 2.547 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -1.885 -8.076 2.980 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -1.934 -10.286 1.337 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -1.216 -8.051 1.772 1.00 0.00 C ATOM 1590 CZ PHE B 101 -1.242 -9.157 0.949 1.00 0.00 C ATOM 0 H PHE B 101 -0.463 -9.532 5.358 1.00 0.00 H new ATOM 0 HA PHE B 101 -3.008 -9.495 6.803 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -4.204 -9.841 4.597 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -3.656 -8.208 4.921 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -3.142 -11.193 2.844 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -1.864 -7.206 3.619 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -1.954 -11.154 0.695 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -0.673 -7.167 1.472 1.00 0.00 H new ATOM 0 HZ PHE B 101 -0.722 -9.140 0.003 1.00 0.00 H new ATOM 1600 N THR B 102 -3.323 -11.955 6.322 1.00 0.00 N ATOM 1601 CA THR B 102 -3.330 -13.410 6.314 1.00 0.00 C ATOM 1602 C THR B 102 -4.766 -13.929 6.286 1.00 0.00 C ATOM 1603 O THR B 102 -5.171 -14.633 5.359 1.00 0.00 O ATOM 1604 CB THR B 102 -2.612 -13.968 7.560 1.00 0.00 C ATOM 1605 OG1 THR B 102 -1.295 -13.413 7.651 1.00 0.00 O ATOM 1606 CG2 THR B 102 -2.525 -15.486 7.514 1.00 0.00 C ATOM 0 H THR B 102 -4.146 -11.537 6.756 1.00 0.00 H new ATOM 0 HA THR B 102 -2.802 -13.745 5.421 1.00 0.00 H new ATOM 0 HB THR B 102 -3.192 -13.686 8.439 1.00 0.00 H new ATOM 0 HG1 THR B 102 -1.145 -13.074 8.558 1.00 0.00 H new ATOM 0 HG21 THR B 102 -2.014 -15.848 8.406 1.00 0.00 H new ATOM 0 HG22 THR B 102 -3.530 -15.907 7.475 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.969 -15.792 6.628 1.00 0.00 H new ATOM 1614 N THR B 103 -5.533 -13.575 7.309 1.00 0.00 N ATOM 1615 CA THR B 103 -6.926 -13.985 7.411 1.00 0.00 C ATOM 1616 C THR B 103 -7.697 -13.019 8.311 1.00 0.00 C ATOM 1617 O THR B 103 -8.681 -12.411 7.888 1.00 0.00 O ATOM 1618 CB THR B 103 -7.049 -15.429 7.958 1.00 0.00 C ATOM 1619 OG1 THR B 103 -6.420 -16.347 7.053 1.00 0.00 O ATOM 1620 CG2 THR B 103 -8.506 -15.829 8.158 1.00 0.00 C ATOM 0 H THR B 103 -5.209 -12.999 8.086 1.00 0.00 H new ATOM 0 HA THR B 103 -7.355 -13.963 6.409 1.00 0.00 H new ATOM 0 HB THR B 103 -6.551 -15.463 8.927 1.00 0.00 H new ATOM 0 HG1 THR B 103 -6.046 -15.853 6.294 1.00 0.00 H new ATOM 0 HG21 THR B 103 -8.554 -16.848 8.543 1.00 0.00 H new ATOM 0 HG22 THR B 103 -8.975 -15.150 8.870 1.00 0.00 H new ATOM 0 HG23 THR B 103 -9.032 -15.776 7.205 1.00 0.00 H new ATOM 1628 N THR B 104 -7.228 -12.857 9.537 1.00 0.00 N ATOM 1629 CA THR B 104 -7.893 -11.996 10.500 1.00 0.00 C ATOM 1630 C THR B 104 -7.236 -10.618 10.538 1.00 0.00 C ATOM 1631 O THR B 104 -6.630 -10.228 11.536 1.00 0.00 O ATOM 1632 CB THR B 104 -7.863 -12.620 11.909 1.00 0.00 C ATOM 1633 OG1 THR B 104 -8.133 -14.026 11.822 1.00 0.00 O ATOM 1634 CG2 THR B 104 -8.892 -11.963 12.820 1.00 0.00 C ATOM 0 H THR B 104 -6.386 -13.312 9.890 1.00 0.00 H new ATOM 0 HA THR B 104 -8.931 -11.887 10.184 1.00 0.00 H new ATOM 0 HB THR B 104 -6.872 -12.458 12.332 1.00 0.00 H new ATOM 0 HG1 THR B 104 -8.111 -14.419 12.719 1.00 0.00 H new ATOM 0 HG21 THR B 104 -8.849 -12.422 13.808 1.00 0.00 H new ATOM 0 HG22 THR B 104 -8.675 -10.898 12.905 1.00 0.00 H new ATOM 0 HG23 THR B 104 -9.889 -12.098 12.400 1.00 0.00 H new ATOM 1642 N SER B 105 -7.338 -9.892 9.436 1.00 0.00 N ATOM 1643 CA SER B 105 -6.810 -8.541 9.371 1.00 0.00 C ATOM 1644 C SER B 105 -7.815 -7.571 9.990 1.00 0.00 C ATOM 1645 O SER B 105 -7.560 -6.981 11.040 1.00 0.00 O ATOM 1646 CB SER B 105 -6.502 -8.169 7.919 1.00 0.00 C ATOM 1647 OG SER B 105 -5.932 -6.877 7.824 1.00 0.00 O ATOM 0 H SER B 105 -7.781 -10.216 8.576 1.00 0.00 H new ATOM 0 HA SER B 105 -5.880 -8.482 9.937 1.00 0.00 H new ATOM 0 HB2 SER B 105 -5.818 -8.902 7.492 1.00 0.00 H new ATOM 0 HB3 SER B 105 -7.418 -8.208 7.330 1.00 0.00 H new ATOM 0 HG SER B 105 -5.216 -6.884 7.155 1.00 0.00 H new ATOM 1653 N THR B 106 -8.959 -7.416 9.339 1.00 0.00 N ATOM 1654 CA THR B 106 -10.065 -6.671 9.908 1.00 0.00 C ATOM 1655 C THR B 106 -11.309 -7.549 9.955 1.00 0.00 C ATOM 1656 O THR B 106 -12.038 -7.681 8.969 1.00 0.00 O ATOM 1657 CB THR B 106 -10.353 -5.380 9.118 1.00 0.00 C ATOM 1658 OG1 THR B 106 -9.217 -4.506 9.196 1.00 0.00 O ATOM 1659 CG2 THR B 106 -11.585 -4.666 9.662 1.00 0.00 C ATOM 0 H THR B 106 -9.143 -7.800 8.412 1.00 0.00 H new ATOM 0 HA THR B 106 -9.786 -6.379 10.920 1.00 0.00 H new ATOM 0 HB THR B 106 -10.544 -5.649 8.079 1.00 0.00 H new ATOM 0 HG1 THR B 106 -8.875 -4.333 8.294 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.764 -3.759 9.085 1.00 0.00 H new ATOM 0 HG22 THR B 106 -12.451 -5.323 9.583 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.422 -4.405 10.708 1.00 0.00 H new ATOM 1667 N SER B 107 -11.513 -8.186 11.093 1.00 0.00 N ATOM 1668 CA SER B 107 -12.662 -9.048 11.303 1.00 0.00 C ATOM 1669 C SER B 107 -13.027 -9.059 12.781 1.00 0.00 C ATOM 1670 O SER B 107 -12.316 -9.639 13.602 1.00 0.00 O ATOM 1671 CB SER B 107 -12.355 -10.468 10.816 1.00 0.00 C ATOM 1672 OG SER B 107 -11.935 -10.463 9.459 1.00 0.00 O ATOM 0 H SER B 107 -10.888 -8.121 11.897 1.00 0.00 H new ATOM 0 HA SER B 107 -13.508 -8.666 10.731 1.00 0.00 H new ATOM 0 HB2 SER B 107 -11.577 -10.909 11.439 1.00 0.00 H new ATOM 0 HB3 SER B 107 -13.242 -11.092 10.923 1.00 0.00 H new ATOM 0 HG SER B 107 -11.744 -11.380 9.172 1.00 0.00 H new ATOM 1678 N THR B 108 -14.114 -8.386 13.119 1.00 0.00 N ATOM 1679 CA THR B 108 -14.545 -8.277 14.502 1.00 0.00 C ATOM 1680 C THR B 108 -15.821 -9.087 14.737 1.00 0.00 C ATOM 1681 O THR B 108 -16.921 -8.621 14.435 1.00 0.00 O ATOM 1682 CB THR B 108 -14.796 -6.801 14.875 1.00 0.00 C ATOM 1683 OG1 THR B 108 -13.706 -5.993 14.405 1.00 0.00 O ATOM 1684 CG2 THR B 108 -14.939 -6.634 16.382 1.00 0.00 C ATOM 0 H THR B 108 -14.716 -7.905 12.451 1.00 0.00 H new ATOM 0 HA THR B 108 -13.751 -8.676 15.133 1.00 0.00 H new ATOM 0 HB THR B 108 -15.725 -6.482 14.403 1.00 0.00 H new ATOM 0 HG1 THR B 108 -13.868 -5.056 14.641 1.00 0.00 H new ATOM 0 HG21 THR B 108 -15.115 -5.584 16.617 1.00 0.00 H new ATOM 0 HG22 THR B 108 -15.779 -7.231 16.736 1.00 0.00 H new ATOM 0 HG23 THR B 108 -14.025 -6.967 16.873 1.00 0.00 H new ATOM 1692 N PRO B 109 -15.693 -10.318 15.266 1.00 0.00 N ATOM 1693 CA PRO B 109 -16.846 -11.181 15.532 1.00 0.00 C ATOM 1694 C PRO B 109 -17.689 -10.663 16.692 1.00 0.00 C ATOM 1695 O PRO B 109 -18.913 -10.805 16.700 1.00 0.00 O ATOM 1696 CB PRO B 109 -16.214 -12.530 15.885 1.00 0.00 C ATOM 1697 CG PRO B 109 -14.856 -12.193 16.393 1.00 0.00 C ATOM 1698 CD PRO B 109 -14.420 -10.963 15.644 1.00 0.00 C ATOM 0 HA PRO B 109 -17.526 -11.231 14.681 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -16.799 -13.056 16.640 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -16.160 -13.182 15.013 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -14.877 -12.008 17.467 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -14.162 -13.017 16.225 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -13.809 -10.310 16.267 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -13.824 -11.217 14.768 1.00 0.00 H new ATOM 1706 N GLY B 110 -17.028 -10.057 17.668 1.00 0.00 N ATOM 1707 CA GLY B 110 -17.724 -9.504 18.808 1.00 0.00 C ATOM 1708 C GLY B 110 -17.922 -8.012 18.678 1.00 0.00 C ATOM 1709 O GLY B 110 -17.586 -7.252 19.584 1.00 0.00 O ATOM 0 H GLY B 110 -16.015 -9.939 17.689 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -18.693 -9.991 18.913 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -17.160 -9.718 19.716 1.00 0.00 H new ATOM 1713 N SER B 111 -18.451 -7.593 17.535 1.00 0.00 N ATOM 1714 CA SER B 111 -18.740 -6.189 17.290 1.00 0.00 C ATOM 1715 C SER B 111 -19.918 -5.744 18.146 1.00 0.00 C ATOM 1716 O SER B 111 -19.901 -4.652 18.719 1.00 0.00 O ATOM 1717 CB SER B 111 -19.038 -5.976 15.803 1.00 0.00 C ATOM 1718 OG SER B 111 -19.944 -6.956 15.317 1.00 0.00 O ATOM 0 H SER B 111 -18.689 -8.212 16.760 1.00 0.00 H new ATOM 0 HA SER B 111 -17.873 -5.587 17.561 1.00 0.00 H new ATOM 0 HB2 SER B 111 -19.458 -4.982 15.652 1.00 0.00 H new ATOM 0 HB3 SER B 111 -18.110 -6.020 15.233 1.00 0.00 H new ATOM 0 HG SER B 111 -20.119 -6.797 14.366 1.00 0.00 H new ATOM 1724 N ARG B 112 -20.920 -6.615 18.246 1.00 0.00 N ATOM 1725 CA ARG B 112 -22.087 -6.385 19.093 1.00 0.00 C ATOM 1726 C ARG B 112 -22.761 -5.060 18.758 1.00 0.00 C ATOM 1727 O ARG B 112 -22.645 -4.077 19.497 1.00 0.00 O ATOM 1728 CB ARG B 112 -21.693 -6.426 20.574 1.00 0.00 C ATOM 1729 CG ARG B 112 -21.021 -7.726 20.987 1.00 0.00 C ATOM 1730 CD ARG B 112 -21.906 -8.925 20.690 1.00 0.00 C ATOM 1731 NE ARG B 112 -21.254 -10.192 21.008 1.00 0.00 N ATOM 1732 CZ ARG B 112 -21.741 -11.381 20.664 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -22.874 -11.466 19.976 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -21.093 -12.484 21.005 1.00 0.00 N ATOM 0 H ARG B 112 -20.945 -7.501 17.741 1.00 0.00 H new ATOM 0 HA ARG B 112 -22.803 -7.184 18.899 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -21.020 -5.595 20.786 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -22.585 -6.278 21.183 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -20.073 -7.831 20.459 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -20.791 -7.696 22.052 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -22.830 -8.842 21.262 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -22.182 -8.917 19.636 1.00 0.00 H new ATOM 0 HE ARG B 112 -20.374 -10.164 21.524 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -23.374 -10.618 19.710 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -23.244 -12.380 19.714 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -20.221 -12.421 21.531 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -21.465 -13.396 20.742 1.00 0.00 H new ATOM 1748 N SER B 113 -23.464 -5.039 17.639 1.00 0.00 N ATOM 1749 CA SER B 113 -24.164 -3.846 17.195 1.00 0.00 C ATOM 1750 C SER B 113 -25.501 -3.690 17.923 1.00 0.00 C ATOM 1751 O SER B 113 -26.564 -3.691 17.306 1.00 0.00 O ATOM 1752 CB SER B 113 -24.397 -3.917 15.688 1.00 0.00 C ATOM 1753 OG SER B 113 -23.181 -4.147 14.989 1.00 0.00 O ATOM 0 H SER B 113 -23.565 -5.841 17.017 1.00 0.00 H new ATOM 0 HA SER B 113 -23.547 -2.978 17.428 1.00 0.00 H new ATOM 0 HB2 SER B 113 -25.104 -4.715 15.464 1.00 0.00 H new ATOM 0 HB3 SER B 113 -24.847 -2.986 15.343 1.00 0.00 H new ATOM 0 HG SER B 113 -23.360 -4.190 14.026 1.00 0.00 H new ATOM 1759 N HIS B 114 -25.439 -3.569 19.241 1.00 0.00 N ATOM 1760 CA HIS B 114 -26.635 -3.358 20.045 1.00 0.00 C ATOM 1761 C HIS B 114 -26.605 -1.945 20.625 1.00 0.00 C ATOM 1762 O HIS B 114 -27.064 -1.683 21.736 1.00 0.00 O ATOM 1763 CB HIS B 114 -26.729 -4.420 21.152 1.00 0.00 C ATOM 1764 CG HIS B 114 -27.993 -4.352 21.958 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -28.000 -4.178 23.324 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -29.292 -4.428 21.584 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -29.247 -4.150 23.756 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -30.049 -4.300 22.721 1.00 0.00 N ATOM 0 H HIS B 114 -24.573 -3.613 19.777 1.00 0.00 H new ATOM 0 HA HIS B 114 -27.523 -3.459 19.421 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -26.651 -5.409 20.700 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -25.877 -4.308 21.822 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -29.663 -4.564 20.579 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -29.557 -4.025 24.783 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -31.068 -4.318 22.759 1.00 0.00 H new ATOM 1777 N HIS B 115 -26.048 -1.035 19.847 1.00 0.00 N ATOM 1778 CA HIS B 115 -25.927 0.359 20.245 1.00 0.00 C ATOM 1779 C HIS B 115 -26.315 1.252 19.076 1.00 0.00 C ATOM 1780 O HIS B 115 -25.773 2.344 18.896 1.00 0.00 O ATOM 1781 CB HIS B 115 -24.494 0.664 20.716 1.00 0.00 C ATOM 1782 CG HIS B 115 -23.424 0.327 19.712 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -22.727 -0.864 19.724 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -22.928 1.037 18.669 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -21.853 -0.870 18.734 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -21.957 0.270 18.079 1.00 0.00 N ATOM 0 H HIS B 115 -25.667 -1.239 18.923 1.00 0.00 H new ATOM 0 HA HIS B 115 -26.600 0.555 21.080 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -24.423 1.723 20.962 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -24.301 0.110 21.634 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -23.240 2.024 18.360 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -21.169 -1.672 18.500 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -21.404 0.538 17.265 1.00 0.00 H new ATOM 1795 N HIS B 116 -27.278 0.782 18.296 1.00 0.00 N ATOM 1796 CA HIS B 116 -27.631 1.416 17.034 1.00 0.00 C ATOM 1797 C HIS B 116 -28.565 2.610 17.242 1.00 0.00 C ATOM 1798 O HIS B 116 -29.635 2.698 16.640 1.00 0.00 O ATOM 1799 CB HIS B 116 -28.270 0.387 16.098 1.00 0.00 C ATOM 1800 CG HIS B 116 -28.284 0.800 14.658 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -27.153 1.190 13.980 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -29.295 0.857 13.762 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -27.464 1.464 12.729 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -28.761 1.271 12.567 1.00 0.00 N ATOM 0 H HIS B 116 -27.833 -0.044 18.518 1.00 0.00 H new ATOM 0 HA HIS B 116 -26.717 1.797 16.578 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -27.732 -0.556 16.190 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -29.294 0.202 16.422 1.00 0.00 H new ATOM 0 HD1 HIS B 116 -26.218 1.257 14.383 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -30.332 0.620 13.952 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -26.775 1.791 11.965 1.00 0.00 H new ATOM 1813 N HIS B 117 -28.155 3.524 18.106 1.00 0.00 N ATOM 1814 CA HIS B 117 -28.847 4.795 18.265 1.00 0.00 C ATOM 1815 C HIS B 117 -28.078 5.860 17.510 1.00 0.00 C ATOM 1816 O HIS B 117 -27.310 6.620 18.097 1.00 0.00 O ATOM 1817 CB HIS B 117 -28.989 5.182 19.739 1.00 0.00 C ATOM 1818 CG HIS B 117 -30.002 4.367 20.485 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -31.221 4.868 20.890 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -29.973 3.081 20.905 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -31.893 3.928 21.526 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -31.158 2.834 21.550 1.00 0.00 N ATOM 0 H HIS B 117 -27.342 3.409 18.712 1.00 0.00 H new ATOM 0 HA HIS B 117 -29.855 4.701 17.862 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -28.020 5.076 20.228 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -29.265 6.235 19.803 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -29.166 2.379 20.759 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -32.878 4.036 21.954 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -31.427 1.948 21.978 1.00 0.00 H new ATOM 1831 N HIS B 118 -28.275 5.874 16.196 1.00 0.00 N ATOM 1832 CA HIS B 118 -27.509 6.722 15.290 1.00 0.00 C ATOM 1833 C HIS B 118 -26.046 6.283 15.297 1.00 0.00 C ATOM 1834 O HIS B 118 -25.127 7.091 15.183 1.00 0.00 O ATOM 1835 CB HIS B 118 -27.653 8.204 15.660 1.00 0.00 C ATOM 1836 CG HIS B 118 -27.176 9.144 14.596 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -27.819 9.298 13.388 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -26.109 9.978 14.560 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -27.169 10.186 12.657 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -26.129 10.613 13.346 1.00 0.00 N ATOM 0 H HIS B 118 -28.973 5.296 15.728 1.00 0.00 H new ATOM 0 HA HIS B 118 -27.903 6.609 14.280 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -28.701 8.415 15.874 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -27.095 8.395 16.577 1.00 0.00 H new ATOM 0 HD2 HIS B 118 -25.378 10.117 15.343 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -27.443 10.508 11.663 1.00 0.00 H new ATOM 0 HE2 HIS B 118 -25.450 11.304 13.027 1.00 0.00 H new ATOM 1849 N HIS B 119 -25.849 4.980 15.447 1.00 0.00 N ATOM 1850 CA HIS B 119 -24.522 4.381 15.428 1.00 0.00 C ATOM 1851 C HIS B 119 -24.583 3.024 14.748 1.00 0.00 C ATOM 1852 O HIS B 119 -24.173 2.927 13.576 1.00 0.00 O ATOM 1853 CB HIS B 119 -23.951 4.229 16.843 1.00 0.00 C ATOM 1854 CG HIS B 119 -23.493 5.514 17.457 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -22.243 6.048 17.237 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -24.126 6.376 18.287 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -22.128 7.181 17.903 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -23.256 7.402 18.549 1.00 0.00 N ATOM 1859 OXT HIS B 119 -25.077 2.066 15.375 1.00 0.00 O ATOM 0 H HIS B 119 -26.605 4.309 15.585 1.00 0.00 H new ATOM 0 HA HIS B 119 -23.861 5.044 14.871 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -24.711 3.783 17.484 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -23.112 3.534 16.812 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -25.130 6.274 18.671 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -21.257 7.820 17.917 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -23.450 8.206 19.146 1.00 0.00 H new TER 1868 HIS B 119