USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.0228 K(o=-3.5,f=-4.3) USER MOD Set 1.3: A 109 SER OG : rot 107:sc= -3.48! USER MOD Set 2.1: A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 148:sc= -11.1! (180deg=-14.5!) USER MOD Single : A 7 SER OG : rot -169:sc= -3.54! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= -0.0394 (180deg=-0.598) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -2.54 USER MOD Single : A 26 HIS : no HD1:sc= -13.2! K(o=-13!,f=-11) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.725) USER MOD Single : A 32 MET CE :methyl 142:sc= -0.92 (180deg=-2.59!) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.172) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= -1.45 (180deg=-1.47) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0593 (180deg=-0.317) USER MOD Single : A 48 HIS : no HD1:sc=-0.00058 X(o=-0.00058,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.313 (180deg=0.194) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 0.296 (180deg=0.126) USER MOD Single : A 55 SER OG : rot -45:sc= 0.48 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 50:sc= 0.892 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 63:sc= 0.915 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.112) USER MOD Single : A 84 THR OG1 : rot 77:sc= 0.986 USER MOD Single : A 86 MET CE :methyl 146:sc= -4.56! (180deg=-7.78!) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0098) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.0207 (180deg=-0.931) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.590 -8.933 9.030 1.00 0.00 N ATOM 2 CA SER A 1 6.446 -8.240 8.386 1.00 0.00 C ATOM 3 C SER A 1 6.570 -8.275 6.866 1.00 0.00 C ATOM 4 O SER A 1 7.260 -7.448 6.271 1.00 0.00 O ATOM 5 CB SER A 1 6.371 -6.789 8.867 1.00 0.00 C ATOM 6 OG SER A 1 6.188 -6.727 10.270 1.00 0.00 O ATOM 0 H1 SER A 1 7.482 -8.895 10.064 1.00 0.00 H new ATOM 0 H2 SER A 1 7.613 -9.926 8.721 1.00 0.00 H new ATOM 0 H3 SER A 1 8.478 -8.465 8.758 1.00 0.00 H new ATOM 0 HA SER A 1 5.532 -8.762 8.669 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.286 -6.264 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.548 -6.279 8.367 1.00 0.00 H new ATOM 0 HG SER A 1 6.145 -5.790 10.553 1.00 0.00 H new ATOM 14 N MET A 2 5.900 -9.242 6.244 1.00 0.00 N ATOM 15 CA MET A 2 5.934 -9.387 4.795 1.00 0.00 C ATOM 16 C MET A 2 7.373 -9.436 4.292 1.00 0.00 C ATOM 17 O MET A 2 7.824 -8.538 3.580 1.00 0.00 O ATOM 18 CB MET A 2 5.187 -8.232 4.127 1.00 0.00 C ATOM 19 CG MET A 2 4.670 -8.552 2.730 1.00 0.00 C ATOM 20 SD MET A 2 3.662 -10.046 2.678 1.00 0.00 S ATOM 21 CE MET A 2 2.825 -9.944 4.257 1.00 0.00 C ATOM 0 H MET A 2 5.327 -9.936 6.723 1.00 0.00 H new ATOM 0 HA MET A 2 5.442 -10.324 4.535 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.345 -7.945 4.757 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.851 -7.369 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.082 -7.710 2.365 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.516 -8.667 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.833 -10.387 4.172 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.400 -10.484 5.009 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.732 -8.899 4.552 1.00 0.00 H new ATOM 31 N THR A 3 8.089 -10.489 4.669 1.00 0.00 N ATOM 32 CA THR A 3 9.480 -10.656 4.264 1.00 0.00 C ATOM 33 C THR A 3 9.627 -11.804 3.271 1.00 0.00 C ATOM 34 O THR A 3 10.335 -11.685 2.270 1.00 0.00 O ATOM 35 CB THR A 3 10.386 -10.915 5.486 1.00 0.00 C ATOM 36 OG1 THR A 3 10.345 -9.791 6.373 1.00 0.00 O ATOM 37 CG2 THR A 3 11.824 -11.174 5.061 1.00 0.00 C ATOM 0 H THR A 3 7.728 -11.241 5.256 1.00 0.00 H new ATOM 0 HA THR A 3 9.791 -9.729 3.783 1.00 0.00 H new ATOM 0 HB THR A 3 10.013 -11.802 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.921 -9.964 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.438 -11.353 5.944 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.859 -12.048 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.206 -10.306 4.523 1.00 0.00 H new ATOM 45 N ASP A 4 8.959 -12.914 3.555 1.00 0.00 N ATOM 46 CA ASP A 4 9.018 -14.085 2.687 1.00 0.00 C ATOM 47 C ASP A 4 8.310 -13.831 1.358 1.00 0.00 C ATOM 48 O ASP A 4 8.522 -14.558 0.387 1.00 0.00 O ATOM 49 CB ASP A 4 8.392 -15.291 3.388 1.00 0.00 C ATOM 50 CG ASP A 4 9.129 -15.671 4.658 1.00 0.00 C ATOM 51 OD1 ASP A 4 8.772 -15.142 5.732 1.00 0.00 O ATOM 52 OD2 ASP A 4 10.066 -16.494 4.579 1.00 0.00 O ATOM 0 H ASP A 4 8.370 -13.029 4.379 1.00 0.00 H new ATOM 0 HA ASP A 4 10.067 -14.292 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.352 -15.069 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.387 -16.141 2.706 1.00 0.00 H new ATOM 57 N LEU A 5 7.472 -12.798 1.314 1.00 0.00 N ATOM 58 CA LEU A 5 6.736 -12.468 0.100 1.00 0.00 C ATOM 59 C LEU A 5 7.279 -11.195 -0.546 1.00 0.00 C ATOM 60 O LEU A 5 7.907 -11.249 -1.603 1.00 0.00 O ATOM 61 CB LEU A 5 5.248 -12.327 0.420 1.00 0.00 C ATOM 62 CG LEU A 5 4.631 -13.537 1.122 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.583 -13.096 2.129 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.023 -14.485 0.103 1.00 0.00 C ATOM 0 H LEU A 5 7.287 -12.178 2.103 1.00 0.00 H new ATOM 0 HA LEU A 5 6.867 -13.278 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.107 -11.448 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.706 -12.146 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 5 5.420 -14.063 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.156 -13.972 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.046 -12.453 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.794 -12.546 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.588 -15.342 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.246 -13.966 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.798 -14.829 -0.582 1.00 0.00 H new ATOM 76 N LEU A 6 7.039 -10.047 0.088 1.00 0.00 N ATOM 77 CA LEU A 6 7.531 -8.777 -0.438 1.00 0.00 C ATOM 78 C LEU A 6 8.961 -8.550 0.019 1.00 0.00 C ATOM 79 O LEU A 6 9.311 -8.860 1.157 1.00 0.00 O ATOM 80 CB LEU A 6 6.663 -7.606 0.039 1.00 0.00 C ATOM 81 CG LEU A 6 5.174 -7.726 -0.269 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.439 -6.466 0.161 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.958 -7.991 -1.748 1.00 0.00 C ATOM 0 H LEU A 6 6.512 -9.972 0.958 1.00 0.00 H new ATOM 0 HA LEU A 6 7.487 -8.825 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.786 -7.500 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.038 -6.689 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 6 4.771 -8.568 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.378 -6.568 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.568 -6.317 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.844 -5.608 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.890 -8.074 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.375 -7.169 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.454 -8.921 -2.027 1.00 0.00 H new ATOM 95 N SER A 7 9.794 -8.008 -0.866 1.00 0.00 N ATOM 96 CA SER A 7 11.182 -7.742 -0.513 1.00 0.00 C ATOM 97 C SER A 7 11.236 -6.922 0.777 1.00 0.00 C ATOM 98 O SER A 7 10.874 -5.745 0.789 1.00 0.00 O ATOM 99 CB SER A 7 11.885 -7.003 -1.651 1.00 0.00 C ATOM 100 OG SER A 7 11.074 -5.956 -2.154 1.00 0.00 O ATOM 0 H SER A 7 9.536 -7.748 -1.818 1.00 0.00 H new ATOM 0 HA SER A 7 11.699 -8.688 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.831 -6.596 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.121 -7.703 -2.453 1.00 0.00 H new ATOM 0 HG SER A 7 11.462 -5.612 -2.985 1.00 0.00 H new ATOM 106 N ALA A 8 11.697 -7.550 1.855 1.00 0.00 N ATOM 107 CA ALA A 8 11.763 -6.894 3.158 1.00 0.00 C ATOM 108 C ALA A 8 12.724 -5.714 3.161 1.00 0.00 C ATOM 109 O ALA A 8 12.411 -4.652 3.699 1.00 0.00 O ATOM 110 CB ALA A 8 12.158 -7.895 4.231 1.00 0.00 C ATOM 0 H ALA A 8 12.031 -8.514 1.852 1.00 0.00 H new ATOM 0 HA ALA A 8 10.769 -6.503 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.204 -7.393 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.419 -8.695 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.135 -8.316 3.994 1.00 0.00 H new ATOM 116 N GLU A 9 13.895 -5.896 2.567 1.00 0.00 N ATOM 117 CA GLU A 9 14.882 -4.827 2.515 1.00 0.00 C ATOM 118 C GLU A 9 14.383 -3.692 1.632 1.00 0.00 C ATOM 119 O GLU A 9 14.542 -2.518 1.960 1.00 0.00 O ATOM 120 CB GLU A 9 16.217 -5.353 1.986 1.00 0.00 C ATOM 121 CG GLU A 9 16.162 -5.792 0.531 1.00 0.00 C ATOM 122 CD GLU A 9 17.500 -6.299 0.026 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.783 -7.501 0.207 1.00 0.00 O ATOM 124 OE2 GLU A 9 18.262 -5.495 -0.550 1.00 0.00 O ATOM 0 H GLU A 9 14.183 -6.765 2.118 1.00 0.00 H new ATOM 0 HA GLU A 9 15.033 -4.449 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.973 -4.576 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.535 -6.196 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.414 -6.577 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.838 -4.954 -0.086 1.00 0.00 H new ATOM 131 N ASP A 10 13.780 -4.060 0.510 1.00 0.00 N ATOM 132 CA ASP A 10 13.253 -3.086 -0.438 1.00 0.00 C ATOM 133 C ASP A 10 12.267 -2.145 0.238 1.00 0.00 C ATOM 134 O ASP A 10 12.386 -0.929 0.138 1.00 0.00 O ATOM 135 CB ASP A 10 12.547 -3.811 -1.570 1.00 0.00 C ATOM 136 CG ASP A 10 12.492 -2.988 -2.840 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.492 -2.306 -3.150 1.00 0.00 O ATOM 138 OD2 ASP A 10 11.454 -3.028 -3.529 1.00 0.00 O ATOM 0 H ASP A 10 13.643 -5.032 0.232 1.00 0.00 H new ATOM 0 HA ASP A 10 14.087 -2.501 -0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.061 -4.751 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.533 -4.063 -1.260 1.00 0.00 H new ATOM 143 N ILE A 11 11.286 -2.726 0.910 1.00 0.00 N ATOM 144 CA ILE A 11 10.273 -1.955 1.617 1.00 0.00 C ATOM 145 C ILE A 11 10.934 -1.016 2.622 1.00 0.00 C ATOM 146 O ILE A 11 10.704 0.188 2.601 1.00 0.00 O ATOM 147 CB ILE A 11 9.302 -2.903 2.348 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.589 -3.834 1.361 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.290 -2.121 3.178 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.333 -5.215 1.923 1.00 0.00 C ATOM 0 H ILE A 11 11.169 -3.737 0.981 1.00 0.00 H new ATOM 0 HA ILE A 11 9.714 -1.363 0.892 1.00 0.00 H new ATOM 0 HB ILE A 11 9.892 -3.519 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.639 -3.385 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.190 -3.923 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.618 -2.816 3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.815 -1.520 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.712 -1.467 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.826 -5.824 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.282 -5.681 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.707 -5.136 2.812 1.00 0.00 H new ATOM 162 N LYS A 12 11.772 -1.570 3.488 1.00 0.00 N ATOM 163 CA LYS A 12 12.461 -0.761 4.483 1.00 0.00 C ATOM 164 C LYS A 12 13.335 0.291 3.804 1.00 0.00 C ATOM 165 O LYS A 12 13.335 1.459 4.193 1.00 0.00 O ATOM 166 CB LYS A 12 13.318 -1.644 5.389 1.00 0.00 C ATOM 167 CG LYS A 12 13.897 -0.900 6.581 1.00 0.00 C ATOM 168 CD LYS A 12 14.744 -1.812 7.451 1.00 0.00 C ATOM 169 CE LYS A 12 15.968 -2.314 6.704 1.00 0.00 C ATOM 170 NZ LYS A 12 16.824 -3.184 7.557 1.00 0.00 N ATOM 0 H LYS A 12 11.989 -2.566 3.522 1.00 0.00 H new ATOM 0 HA LYS A 12 11.711 -0.256 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.715 -2.478 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.133 -2.069 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.503 -0.065 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.087 -0.478 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.058 -1.275 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.145 -2.660 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.651 -2.870 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.552 -1.464 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.648 -3.505 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.148 -2.646 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.275 -4.009 7.872 1.00 0.00 H new ATOM 184 N LYS A 13 14.073 -0.133 2.782 1.00 0.00 N ATOM 185 CA LYS A 13 14.954 0.769 2.049 1.00 0.00 C ATOM 186 C LYS A 13 14.162 1.857 1.336 1.00 0.00 C ATOM 187 O LYS A 13 14.421 3.044 1.508 1.00 0.00 O ATOM 188 CB LYS A 13 15.743 -0.010 0.997 1.00 0.00 C ATOM 189 CG LYS A 13 16.774 -0.976 1.562 1.00 0.00 C ATOM 190 CD LYS A 13 17.127 -2.078 0.562 1.00 0.00 C ATOM 191 CE LYS A 13 17.319 -1.541 -0.850 1.00 0.00 C ATOM 192 NZ LYS A 13 18.323 -0.443 -0.901 1.00 0.00 N ATOM 0 H LYS A 13 14.078 -1.095 2.443 1.00 0.00 H new ATOM 0 HA LYS A 13 15.627 1.227 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.042 -0.569 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.250 0.700 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.676 -0.428 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.388 -1.425 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.040 -2.579 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.336 -2.828 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.636 -2.352 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.365 -1.177 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.839 0.463 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.838 -0.401 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.995 -0.622 -1.674 1.00 0.00 H new ATOM 206 N ALA A 14 13.173 1.429 0.562 1.00 0.00 N ATOM 207 CA ALA A 14 12.339 2.340 -0.210 1.00 0.00 C ATOM 208 C ALA A 14 11.496 3.231 0.688 1.00 0.00 C ATOM 209 O ALA A 14 11.386 4.435 0.458 1.00 0.00 O ATOM 210 CB ALA A 14 11.443 1.550 -1.153 1.00 0.00 C ATOM 0 H ALA A 14 12.927 0.445 0.452 1.00 0.00 H new ATOM 0 HA ALA A 14 12.999 2.986 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.822 2.238 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.059 0.963 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.805 0.882 -0.574 1.00 0.00 H new ATOM 216 N ILE A 15 10.904 2.635 1.713 1.00 0.00 N ATOM 217 CA ILE A 15 10.068 3.379 2.635 1.00 0.00 C ATOM 218 C ILE A 15 10.825 4.575 3.216 1.00 0.00 C ATOM 219 O ILE A 15 10.325 5.699 3.214 1.00 0.00 O ATOM 220 CB ILE A 15 9.527 2.459 3.742 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.381 1.682 3.133 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.044 3.232 4.972 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.613 0.843 4.110 1.00 0.00 C ATOM 0 H ILE A 15 10.989 1.641 1.924 1.00 0.00 H new ATOM 0 HA ILE A 15 9.213 3.771 2.084 1.00 0.00 H new ATOM 0 HB ILE A 15 10.325 1.806 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.695 2.383 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.773 1.036 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.673 2.531 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.872 3.805 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.242 3.912 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.811 0.321 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.282 0.115 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.187 1.483 4.883 1.00 0.00 H new ATOM 235 N GLY A 16 12.039 4.327 3.692 1.00 0.00 N ATOM 236 CA GLY A 16 12.835 5.392 4.280 1.00 0.00 C ATOM 237 C GLY A 16 13.816 6.040 3.316 1.00 0.00 C ATOM 238 O GLY A 16 14.421 7.061 3.645 1.00 0.00 O ATOM 0 H GLY A 16 12.487 3.411 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.165 6.159 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.388 4.991 5.129 1.00 0.00 H new ATOM 242 N ALA A 17 13.981 5.465 2.129 1.00 0.00 N ATOM 243 CA ALA A 17 14.912 6.020 1.146 1.00 0.00 C ATOM 244 C ALA A 17 14.473 7.400 0.671 1.00 0.00 C ATOM 245 O ALA A 17 15.219 8.371 0.785 1.00 0.00 O ATOM 246 CB ALA A 17 15.057 5.088 -0.048 1.00 0.00 C ATOM 0 H ALA A 17 13.490 4.625 1.824 1.00 0.00 H new ATOM 0 HA ALA A 17 15.878 6.121 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.754 5.521 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.436 4.123 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.086 4.951 -0.523 1.00 0.00 H new ATOM 252 N PHE A 18 13.258 7.479 0.138 1.00 0.00 N ATOM 253 CA PHE A 18 12.735 8.737 -0.376 1.00 0.00 C ATOM 254 C PHE A 18 11.303 9.004 0.078 1.00 0.00 C ATOM 255 O PHE A 18 10.368 8.973 -0.723 1.00 0.00 O ATOM 256 CB PHE A 18 12.837 8.747 -1.904 1.00 0.00 C ATOM 257 CG PHE A 18 11.969 7.746 -2.639 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.180 6.815 -1.969 1.00 0.00 C ATOM 259 CD2 PHE A 18 11.959 7.740 -4.026 1.00 0.00 C ATOM 260 CE1 PHE A 18 10.404 5.909 -2.670 1.00 0.00 C ATOM 261 CE2 PHE A 18 11.183 6.835 -4.728 1.00 0.00 C ATOM 262 CZ PHE A 18 10.406 5.921 -4.049 1.00 0.00 C ATOM 0 H PHE A 18 12.620 6.688 0.051 1.00 0.00 H new ATOM 0 HA PHE A 18 13.342 9.544 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.582 9.746 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.876 8.567 -2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.174 6.800 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.566 8.452 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.797 5.192 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.186 6.845 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.799 5.215 -4.597 1.00 0.00 H new ATOM 272 N THR A 19 11.136 9.305 1.366 1.00 0.00 N ATOM 273 CA THR A 19 9.814 9.584 1.929 1.00 0.00 C ATOM 274 C THR A 19 8.979 10.453 0.989 1.00 0.00 C ATOM 275 O THR A 19 7.761 10.301 0.903 1.00 0.00 O ATOM 276 CB THR A 19 9.920 10.283 3.296 1.00 0.00 C ATOM 277 OG1 THR A 19 10.639 11.515 3.163 1.00 0.00 O ATOM 278 CG2 THR A 19 10.621 9.388 4.308 1.00 0.00 C ATOM 0 H THR A 19 11.900 9.362 2.040 1.00 0.00 H new ATOM 0 HA THR A 19 9.321 8.620 2.058 1.00 0.00 H new ATOM 0 HB THR A 19 8.911 10.489 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.700 11.954 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.684 9.903 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.056 8.464 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.625 9.155 3.954 1.00 0.00 H new ATOM 286 N ALA A 20 9.651 11.363 0.287 1.00 0.00 N ATOM 287 CA ALA A 20 8.987 12.243 -0.666 1.00 0.00 C ATOM 288 C ALA A 20 8.095 11.437 -1.603 1.00 0.00 C ATOM 289 O ALA A 20 6.960 11.823 -1.879 1.00 0.00 O ATOM 290 CB ALA A 20 10.014 13.036 -1.460 1.00 0.00 C ATOM 0 H ALA A 20 10.658 11.509 0.362 1.00 0.00 H new ATOM 0 HA ALA A 20 8.362 12.944 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.502 13.688 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.614 13.639 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.663 12.349 -2.004 1.00 0.00 H new ATOM 296 N ALA A 21 8.611 10.307 -2.085 1.00 0.00 N ATOM 297 CA ALA A 21 7.848 9.443 -2.981 1.00 0.00 C ATOM 298 C ALA A 21 6.462 9.193 -2.408 1.00 0.00 C ATOM 299 O ALA A 21 5.455 9.611 -2.977 1.00 0.00 O ATOM 300 CB ALA A 21 8.576 8.125 -3.201 1.00 0.00 C ATOM 0 H ALA A 21 9.550 9.971 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 21 7.746 9.943 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.992 7.494 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.553 8.318 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.705 7.617 -2.245 1.00 0.00 H new ATOM 306 N ASP A 22 6.429 8.517 -1.273 1.00 0.00 N ATOM 307 CA ASP A 22 5.176 8.234 -0.591 1.00 0.00 C ATOM 308 C ASP A 22 4.530 9.541 -0.139 1.00 0.00 C ATOM 309 O ASP A 22 3.321 9.605 0.080 1.00 0.00 O ATOM 310 CB ASP A 22 5.416 7.324 0.614 1.00 0.00 C ATOM 311 CG ASP A 22 4.137 6.996 1.357 1.00 0.00 C ATOM 312 OD1 ASP A 22 3.675 7.845 2.149 1.00 0.00 O ATOM 313 OD2 ASP A 22 3.594 5.890 1.148 1.00 0.00 O ATOM 0 H ASP A 22 7.257 8.153 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 22 4.507 7.722 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.885 6.399 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.115 7.807 1.297 1.00 0.00 H new ATOM 318 N SER A 23 5.353 10.582 0.000 1.00 0.00 N ATOM 319 CA SER A 23 4.873 11.890 0.415 1.00 0.00 C ATOM 320 C SER A 23 3.875 12.445 -0.597 1.00 0.00 C ATOM 321 O SER A 23 2.757 12.816 -0.239 1.00 0.00 O ATOM 322 CB SER A 23 6.052 12.855 0.578 1.00 0.00 C ATOM 323 OG SER A 23 5.720 13.923 1.448 1.00 0.00 O ATOM 0 H SER A 23 6.358 10.538 -0.171 1.00 0.00 H new ATOM 0 HA SER A 23 4.366 11.783 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.915 12.317 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.339 13.251 -0.396 1.00 0.00 H new ATOM 0 HG SER A 23 6.489 14.524 1.537 1.00 0.00 H new ATOM 329 N PHE A 24 4.283 12.500 -1.864 1.00 0.00 N ATOM 330 CA PHE A 24 3.416 13.012 -2.919 1.00 0.00 C ATOM 331 C PHE A 24 2.677 11.881 -3.634 1.00 0.00 C ATOM 332 O PHE A 24 1.490 12.002 -3.937 1.00 0.00 O ATOM 333 CB PHE A 24 4.220 13.835 -3.929 1.00 0.00 C ATOM 334 CG PHE A 24 5.407 13.112 -4.500 1.00 0.00 C ATOM 335 CD1 PHE A 24 5.248 12.179 -5.512 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.684 13.375 -4.031 1.00 0.00 C ATOM 337 CE1 PHE A 24 6.340 11.517 -6.042 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.780 12.716 -4.556 1.00 0.00 C ATOM 339 CZ PHE A 24 7.608 11.787 -5.563 1.00 0.00 C ATOM 0 H PHE A 24 5.204 12.198 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 24 2.674 13.657 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.562 14.133 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.563 14.750 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.259 11.966 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.825 14.103 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.202 10.790 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.770 12.928 -4.179 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.463 11.272 -5.976 1.00 0.00 H new ATOM 349 N ASP A 25 3.378 10.779 -3.896 1.00 0.00 N ATOM 350 CA ASP A 25 2.775 9.639 -4.582 1.00 0.00 C ATOM 351 C ASP A 25 3.455 8.325 -4.202 1.00 0.00 C ATOM 352 O ASP A 25 4.583 8.057 -4.619 1.00 0.00 O ATOM 353 CB ASP A 25 2.847 9.834 -6.100 1.00 0.00 C ATOM 354 CG ASP A 25 1.898 10.907 -6.597 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.120 12.093 -6.277 1.00 0.00 O ATOM 356 OD2 ASP A 25 0.932 10.560 -7.309 1.00 0.00 O ATOM 0 H ASP A 25 4.358 10.652 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 25 1.733 9.584 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.867 10.098 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.614 8.891 -6.595 1.00 0.00 H new ATOM 361 N HIS A 26 2.762 7.505 -3.416 1.00 0.00 N ATOM 362 CA HIS A 26 3.298 6.213 -2.996 1.00 0.00 C ATOM 363 C HIS A 26 3.361 5.249 -4.186 1.00 0.00 C ATOM 364 O HIS A 26 4.033 4.222 -4.121 1.00 0.00 O ATOM 365 CB HIS A 26 2.461 5.655 -1.821 1.00 0.00 C ATOM 366 CG HIS A 26 2.453 4.162 -1.654 1.00 0.00 C ATOM 367 ND1 HIS A 26 2.666 3.544 -0.436 1.00 0.00 N ATOM 368 CD2 HIS A 26 2.193 3.168 -2.534 1.00 0.00 C ATOM 369 CE1 HIS A 26 2.534 2.237 -0.578 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.248 1.983 -1.840 1.00 0.00 N ATOM 0 H HIS A 26 1.830 7.712 -3.058 1.00 0.00 H new ATOM 0 HA HIS A 26 4.320 6.337 -2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.831 6.100 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.431 5.990 -1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.981 3.284 -3.587 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.642 1.502 0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.093 1.056 -2.237 1.00 0.00 H new ATOM 379 N LYS A 27 2.679 5.592 -5.285 1.00 0.00 N ATOM 380 CA LYS A 27 2.691 4.773 -6.478 1.00 0.00 C ATOM 381 C LYS A 27 4.125 4.443 -6.868 1.00 0.00 C ATOM 382 O LYS A 27 4.474 3.284 -7.075 1.00 0.00 O ATOM 383 CB LYS A 27 1.985 5.511 -7.613 1.00 0.00 C ATOM 384 CG LYS A 27 0.551 5.923 -7.308 1.00 0.00 C ATOM 385 CD LYS A 27 -0.202 4.840 -6.558 1.00 0.00 C ATOM 386 CE LYS A 27 -0.526 3.656 -7.449 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.286 2.609 -6.712 1.00 0.00 N ATOM 0 H LYS A 27 2.113 6.437 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 27 2.163 3.840 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.560 6.403 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.986 4.875 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.554 6.839 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.032 6.147 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.395 4.504 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.126 5.254 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.108 3.993 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.398 3.229 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.002 1.669 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.082 2.683 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.305 2.743 -6.872 1.00 0.00 H new ATOM 401 N LYS A 28 4.956 5.476 -6.954 1.00 0.00 N ATOM 402 CA LYS A 28 6.359 5.287 -7.281 1.00 0.00 C ATOM 403 C LYS A 28 6.977 4.396 -6.225 1.00 0.00 C ATOM 404 O LYS A 28 7.732 3.472 -6.528 1.00 0.00 O ATOM 405 CB LYS A 28 7.085 6.631 -7.314 1.00 0.00 C ATOM 406 CG LYS A 28 8.581 6.510 -7.545 1.00 0.00 C ATOM 407 CD LYS A 28 8.890 5.893 -8.899 1.00 0.00 C ATOM 408 CE LYS A 28 8.258 6.686 -10.031 1.00 0.00 C ATOM 409 NZ LYS A 28 8.617 6.132 -11.366 1.00 0.00 N ATOM 0 H LYS A 28 4.682 6.447 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 28 6.449 4.827 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.653 7.248 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.912 7.151 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.041 7.496 -7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.023 5.900 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.970 5.850 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.524 4.867 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.174 6.682 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.581 7.725 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.166 6.701 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.650 6.159 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.286 5.148 -11.434 1.00 0.00 H new ATOM 423 N PHE A 29 6.644 4.691 -4.975 1.00 0.00 N ATOM 424 CA PHE A 29 7.124 3.902 -3.862 1.00 0.00 C ATOM 425 C PHE A 29 6.703 2.442 -4.060 1.00 0.00 C ATOM 426 O PHE A 29 7.442 1.525 -3.721 1.00 0.00 O ATOM 427 CB PHE A 29 6.588 4.456 -2.530 1.00 0.00 C ATOM 428 CG PHE A 29 6.674 3.473 -1.402 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.873 3.237 -0.753 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.554 2.767 -1.015 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.947 2.311 0.266 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.621 1.836 -0.001 1.00 0.00 C ATOM 433 CZ PHE A 29 6.816 1.608 0.640 1.00 0.00 C ATOM 0 H PHE A 29 6.043 5.472 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 29 8.212 3.956 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.149 5.352 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.549 4.757 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.758 3.782 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.613 2.946 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.885 2.135 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.737 1.287 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.871 0.880 1.436 1.00 0.00 H new ATOM 443 N PHE A 30 5.504 2.242 -4.601 1.00 0.00 N ATOM 444 CA PHE A 30 4.998 0.896 -4.867 1.00 0.00 C ATOM 445 C PHE A 30 6.022 0.114 -5.683 1.00 0.00 C ATOM 446 O PHE A 30 6.100 -1.112 -5.602 1.00 0.00 O ATOM 447 CB PHE A 30 3.684 0.976 -5.649 1.00 0.00 C ATOM 448 CG PHE A 30 2.591 0.081 -5.129 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.675 -1.294 -5.269 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.470 0.619 -4.519 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.662 -2.114 -4.805 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.458 -0.195 -4.051 1.00 0.00 C ATOM 453 CZ PHE A 30 0.554 -1.563 -4.195 1.00 0.00 C ATOM 0 H PHE A 30 4.865 2.992 -4.864 1.00 0.00 H new ATOM 0 HA PHE A 30 4.823 0.390 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.330 2.007 -5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.880 0.721 -6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.540 -1.731 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.386 1.690 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.739 -3.185 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.408 0.239 -3.573 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.237 -2.202 -3.831 1.00 0.00 H new ATOM 463 N GLN A 31 6.803 0.845 -6.469 1.00 0.00 N ATOM 464 CA GLN A 31 7.833 0.255 -7.309 1.00 0.00 C ATOM 465 C GLN A 31 9.121 0.013 -6.517 1.00 0.00 C ATOM 466 O GLN A 31 9.696 -1.073 -6.566 1.00 0.00 O ATOM 467 CB GLN A 31 8.111 1.176 -8.499 1.00 0.00 C ATOM 468 CG GLN A 31 6.860 1.751 -9.141 1.00 0.00 C ATOM 469 CD GLN A 31 7.169 2.581 -10.372 1.00 0.00 C ATOM 470 OE1 GLN A 31 8.141 2.322 -11.080 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.345 3.589 -10.630 1.00 0.00 N ATOM 0 H GLN A 31 6.739 1.860 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 31 7.476 -0.710 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.748 1.997 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.671 0.621 -9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.189 0.937 -9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.333 2.368 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.550 3.768 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.506 4.184 -11.442 1.00 0.00 H new ATOM 480 N MET A 32 9.568 1.036 -5.793 1.00 0.00 N ATOM 481 CA MET A 32 10.791 0.947 -4.997 1.00 0.00 C ATOM 482 C MET A 32 10.608 0.062 -3.772 1.00 0.00 C ATOM 483 O MET A 32 11.560 -0.535 -3.275 1.00 0.00 O ATOM 484 CB MET A 32 11.222 2.337 -4.559 1.00 0.00 C ATOM 485 CG MET A 32 11.174 3.339 -5.687 1.00 0.00 C ATOM 486 SD MET A 32 12.061 2.773 -7.152 1.00 0.00 S ATOM 487 CE MET A 32 11.730 4.116 -8.289 1.00 0.00 C ATOM 0 H MET A 32 9.100 1.941 -5.741 1.00 0.00 H new ATOM 0 HA MET A 32 11.560 0.496 -5.624 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.576 2.676 -3.749 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.236 2.291 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.135 3.536 -5.949 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.602 4.283 -5.349 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.618 4.311 -8.890 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.902 3.843 -8.943 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.469 5.013 -7.727 1.00 0.00 H new ATOM 497 N VAL A 33 9.376 -0.011 -3.288 1.00 0.00 N ATOM 498 CA VAL A 33 9.054 -0.806 -2.112 1.00 0.00 C ATOM 499 C VAL A 33 9.138 -2.299 -2.409 1.00 0.00 C ATOM 500 O VAL A 33 9.365 -3.111 -1.516 1.00 0.00 O ATOM 501 CB VAL A 33 7.648 -0.464 -1.590 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.595 -0.847 -2.606 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.388 -1.161 -0.281 1.00 0.00 C ATOM 0 H VAL A 33 8.577 0.475 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 33 9.790 -0.563 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 33 7.596 0.613 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.607 -0.597 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.769 -0.302 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.649 -1.918 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.389 -0.908 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.461 -2.239 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.126 -0.841 0.454 1.00 0.00 H new ATOM 513 N GLY A 34 8.965 -2.646 -3.672 1.00 0.00 N ATOM 514 CA GLY A 34 9.044 -4.040 -4.076 1.00 0.00 C ATOM 515 C GLY A 34 7.716 -4.770 -4.002 1.00 0.00 C ATOM 516 O GLY A 34 7.684 -5.998 -3.946 1.00 0.00 O ATOM 0 H GLY A 34 8.771 -1.990 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.422 -4.093 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.767 -4.553 -3.442 1.00 0.00 H new ATOM 520 N LEU A 35 6.618 -4.022 -4.005 1.00 0.00 N ATOM 521 CA LEU A 35 5.295 -4.628 -3.951 1.00 0.00 C ATOM 522 C LEU A 35 4.993 -5.320 -5.271 1.00 0.00 C ATOM 523 O LEU A 35 4.229 -6.281 -5.327 1.00 0.00 O ATOM 524 CB LEU A 35 4.229 -3.577 -3.640 1.00 0.00 C ATOM 525 CG LEU A 35 3.992 -3.326 -2.149 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.892 -1.835 -1.864 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.731 -4.037 -1.684 1.00 0.00 C ATOM 0 H LEU A 35 6.618 -3.003 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 35 5.280 -5.368 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.517 -2.637 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.289 -3.887 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 35 4.842 -3.726 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.723 -1.679 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.819 -1.345 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.061 -1.412 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.577 -3.848 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.875 -3.664 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.835 -5.109 -1.850 1.00 0.00 H new ATOM 539 N LYS A 36 5.611 -4.829 -6.336 1.00 0.00 N ATOM 540 CA LYS A 36 5.434 -5.413 -7.654 1.00 0.00 C ATOM 541 C LYS A 36 6.375 -6.610 -7.848 1.00 0.00 C ATOM 542 O LYS A 36 6.454 -7.174 -8.939 1.00 0.00 O ATOM 543 CB LYS A 36 5.699 -4.359 -8.728 1.00 0.00 C ATOM 544 CG LYS A 36 4.704 -3.203 -8.724 1.00 0.00 C ATOM 545 CD LYS A 36 5.421 -1.861 -8.737 1.00 0.00 C ATOM 546 CE LYS A 36 6.436 -1.783 -9.864 1.00 0.00 C ATOM 547 NZ LYS A 36 5.831 -2.123 -11.181 1.00 0.00 N ATOM 0 H LYS A 36 6.240 -4.026 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 36 4.407 -5.766 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.704 -3.960 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.678 -4.839 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.051 -3.278 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.068 -3.270 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.691 -1.059 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.923 -1.706 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.855 -0.778 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.261 -2.464 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.510 -1.912 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.591 -3.135 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.968 -1.560 -11.322 1.00 0.00 H new ATOM 561 N LYS A 37 7.089 -6.996 -6.781 1.00 0.00 N ATOM 562 CA LYS A 37 8.017 -8.117 -6.837 1.00 0.00 C ATOM 563 C LYS A 37 7.331 -9.358 -7.400 1.00 0.00 C ATOM 564 O LYS A 37 7.793 -9.947 -8.378 1.00 0.00 O ATOM 565 CB LYS A 37 8.558 -8.412 -5.432 1.00 0.00 C ATOM 566 CG LYS A 37 9.372 -9.693 -5.342 1.00 0.00 C ATOM 567 CD LYS A 37 9.714 -10.036 -3.900 1.00 0.00 C ATOM 568 CE LYS A 37 10.928 -10.949 -3.817 1.00 0.00 C ATOM 569 NZ LYS A 37 11.337 -11.202 -2.407 1.00 0.00 N ATOM 0 H LYS A 37 7.036 -6.542 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 37 8.844 -7.851 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.178 -7.576 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.721 -8.475 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.811 -10.514 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.290 -9.583 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.908 -9.119 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.860 -10.521 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.703 -11.897 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.759 -10.499 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.167 -11.828 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.576 -10.300 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.554 -11.655 -1.894 1.00 0.00 H new ATOM 583 N LYS A 38 6.227 -9.746 -6.775 1.00 0.00 N ATOM 584 CA LYS A 38 5.477 -10.919 -7.203 1.00 0.00 C ATOM 585 C LYS A 38 4.019 -10.571 -7.486 1.00 0.00 C ATOM 586 O LYS A 38 3.634 -9.401 -7.466 1.00 0.00 O ATOM 587 CB LYS A 38 5.554 -12.007 -6.134 1.00 0.00 C ATOM 588 CG LYS A 38 6.721 -12.960 -6.312 1.00 0.00 C ATOM 589 CD LYS A 38 6.738 -14.006 -5.214 1.00 0.00 C ATOM 590 CE LYS A 38 7.231 -13.422 -3.900 1.00 0.00 C ATOM 591 NZ LYS A 38 8.685 -13.111 -3.944 1.00 0.00 N ATOM 0 H LYS A 38 5.831 -9.264 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 38 5.923 -11.286 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.628 -11.536 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.626 -12.578 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.652 -13.448 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.657 -12.401 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.735 -14.412 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.381 -14.835 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.672 -12.514 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.035 -14.127 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.987 -12.731 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.219 -13.979 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.867 -12.406 -4.687 1.00 0.00 H new ATOM 605 N SER A 39 3.214 -11.594 -7.748 1.00 0.00 N ATOM 606 CA SER A 39 1.799 -11.399 -8.037 1.00 0.00 C ATOM 607 C SER A 39 1.111 -10.619 -6.920 1.00 0.00 C ATOM 608 O SER A 39 1.714 -10.337 -5.884 1.00 0.00 O ATOM 609 CB SER A 39 1.106 -12.748 -8.234 1.00 0.00 C ATOM 610 OG SER A 39 1.733 -13.497 -9.260 1.00 0.00 O ATOM 0 H SER A 39 3.518 -12.568 -7.766 1.00 0.00 H new ATOM 0 HA SER A 39 1.722 -10.819 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.129 -13.312 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.057 -12.589 -8.484 1.00 0.00 H new ATOM 0 HG SER A 39 1.273 -14.356 -9.366 1.00 0.00 H new ATOM 616 N ALA A 40 -0.153 -10.274 -7.138 1.00 0.00 N ATOM 617 CA ALA A 40 -0.928 -9.534 -6.152 1.00 0.00 C ATOM 618 C ALA A 40 -1.185 -10.383 -4.908 1.00 0.00 C ATOM 619 O ALA A 40 -1.489 -9.855 -3.839 1.00 0.00 O ATOM 620 CB ALA A 40 -2.242 -9.090 -6.771 1.00 0.00 C ATOM 0 H ALA A 40 -0.663 -10.497 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.358 -8.657 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.823 -8.536 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.042 -8.450 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.806 -9.965 -7.094 1.00 0.00 H new ATOM 626 N ASP A 41 -1.066 -11.700 -5.055 1.00 0.00 N ATOM 627 CA ASP A 41 -1.281 -12.611 -3.940 1.00 0.00 C ATOM 628 C ASP A 41 -0.254 -12.367 -2.842 1.00 0.00 C ATOM 629 O ASP A 41 -0.594 -12.315 -1.660 1.00 0.00 O ATOM 630 CB ASP A 41 -1.203 -14.062 -4.415 1.00 0.00 C ATOM 631 CG ASP A 41 -2.218 -14.371 -5.497 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.895 -14.182 -6.688 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.339 -14.803 -5.152 1.00 0.00 O ATOM 0 H ASP A 41 -0.822 -12.157 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.276 -12.425 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.201 -14.265 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.365 -14.728 -3.568 1.00 0.00 H new ATOM 638 N ASP A 42 1.005 -12.217 -3.241 1.00 0.00 N ATOM 639 CA ASP A 42 2.081 -11.977 -2.288 1.00 0.00 C ATOM 640 C ASP A 42 1.844 -10.681 -1.523 1.00 0.00 C ATOM 641 O ASP A 42 1.863 -10.662 -0.295 1.00 0.00 O ATOM 642 CB ASP A 42 3.427 -11.923 -3.013 1.00 0.00 C ATOM 643 CG ASP A 42 3.785 -13.246 -3.661 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.260 -13.532 -4.756 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.587 -13.999 -3.068 1.00 0.00 O ATOM 0 H ASP A 42 1.304 -12.257 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 42 2.097 -12.800 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.396 -11.144 -3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.208 -11.645 -2.305 1.00 0.00 H new ATOM 650 N VAL A 43 1.617 -9.599 -2.254 1.00 0.00 N ATOM 651 CA VAL A 43 1.364 -8.305 -1.635 1.00 0.00 C ATOM 652 C VAL A 43 0.111 -8.366 -0.767 1.00 0.00 C ATOM 653 O VAL A 43 0.082 -7.853 0.350 1.00 0.00 O ATOM 654 CB VAL A 43 1.193 -7.202 -2.697 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.494 -6.977 -3.451 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.076 -7.562 -3.663 1.00 0.00 C ATOM 0 H VAL A 43 1.603 -9.591 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 43 2.227 -8.063 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 43 0.926 -6.276 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.352 -6.194 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.273 -6.674 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.791 -7.901 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.031 -6.772 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.316 -8.500 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.859 -7.672 -3.113 1.00 0.00 H new ATOM 666 N LYS A 44 -0.911 -9.030 -1.289 1.00 0.00 N ATOM 667 CA LYS A 44 -2.184 -9.180 -0.602 1.00 0.00 C ATOM 668 C LYS A 44 -2.003 -9.729 0.812 1.00 0.00 C ATOM 669 O LYS A 44 -2.791 -9.429 1.707 1.00 0.00 O ATOM 670 CB LYS A 44 -3.089 -10.102 -1.413 1.00 0.00 C ATOM 671 CG LYS A 44 -4.383 -10.465 -0.708 1.00 0.00 C ATOM 672 CD LYS A 44 -5.232 -11.404 -1.542 1.00 0.00 C ATOM 673 CE LYS A 44 -5.444 -10.871 -2.951 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.317 -11.767 -3.759 1.00 0.00 N ATOM 0 H LYS A 44 -0.879 -9.481 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.642 -8.195 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.326 -9.621 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.544 -11.017 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.156 -10.933 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.948 -9.558 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.752 -12.381 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.198 -11.547 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.891 -9.878 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.479 -10.761 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.436 -11.368 -4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.879 -12.707 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.247 -11.852 -3.300 1.00 0.00 H new ATOM 688 N LYS A 45 -0.965 -10.534 1.005 1.00 0.00 N ATOM 689 CA LYS A 45 -0.713 -11.157 2.298 1.00 0.00 C ATOM 690 C LYS A 45 -0.536 -10.105 3.377 1.00 0.00 C ATOM 691 O LYS A 45 -1.099 -10.219 4.465 1.00 0.00 O ATOM 692 CB LYS A 45 0.520 -12.056 2.233 1.00 0.00 C ATOM 693 CG LYS A 45 0.191 -13.539 2.196 1.00 0.00 C ATOM 694 CD LYS A 45 -0.625 -13.901 0.966 1.00 0.00 C ATOM 695 CE LYS A 45 -0.962 -15.382 0.943 1.00 0.00 C ATOM 696 NZ LYS A 45 0.262 -16.230 0.962 1.00 0.00 N ATOM 0 H LYS A 45 -0.285 -10.770 0.283 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.578 -11.770 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.100 -11.799 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.152 -11.854 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.115 -14.117 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.363 -13.812 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.545 -13.316 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.067 -13.639 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.586 -15.626 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.546 -15.608 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.011 -17.207 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.951 -15.861 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.680 -16.215 1.914 1.00 0.00 H new ATOM 710 N VAL A 46 0.246 -9.075 3.076 1.00 0.00 N ATOM 711 CA VAL A 46 0.464 -8.011 4.036 1.00 0.00 C ATOM 712 C VAL A 46 -0.860 -7.324 4.334 1.00 0.00 C ATOM 713 O VAL A 46 -1.059 -6.770 5.414 1.00 0.00 O ATOM 714 CB VAL A 46 1.518 -6.984 3.539 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.908 -5.916 2.633 1.00 0.00 C ATOM 716 CG2 VAL A 46 2.224 -6.341 4.722 1.00 0.00 C ATOM 0 H VAL A 46 0.732 -8.958 2.187 1.00 0.00 H new ATOM 0 HA VAL A 46 0.862 -8.451 4.950 1.00 0.00 H new ATOM 0 HB VAL A 46 2.246 -7.531 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.686 -5.223 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.463 -6.391 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.139 -5.371 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.960 -5.623 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.493 -5.827 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.726 -7.111 5.309 1.00 0.00 H new ATOM 726 N PHE A 47 -1.765 -7.369 3.358 1.00 0.00 N ATOM 727 CA PHE A 47 -3.061 -6.751 3.516 1.00 0.00 C ATOM 728 C PHE A 47 -3.815 -7.375 4.678 1.00 0.00 C ATOM 729 O PHE A 47 -4.618 -6.718 5.327 1.00 0.00 O ATOM 730 CB PHE A 47 -3.887 -6.853 2.245 1.00 0.00 C ATOM 731 CG PHE A 47 -4.945 -5.793 2.158 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.586 -4.465 2.009 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.290 -6.113 2.239 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.543 -3.474 1.935 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.254 -5.125 2.167 1.00 0.00 C ATOM 736 CZ PHE A 47 -6.880 -3.805 2.014 1.00 0.00 C ATOM 0 H PHE A 47 -1.617 -7.826 2.458 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.894 -5.695 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.228 -6.775 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.357 -7.835 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.541 -4.200 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.588 -7.144 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.246 -2.442 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.300 -5.386 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.633 -3.033 1.956 1.00 0.00 H new ATOM 746 N HIS A 48 -3.556 -8.652 4.929 1.00 0.00 N ATOM 747 CA HIS A 48 -4.202 -9.358 6.027 1.00 0.00 C ATOM 748 C HIS A 48 -3.628 -8.871 7.348 1.00 0.00 C ATOM 749 O HIS A 48 -4.310 -8.849 8.373 1.00 0.00 O ATOM 750 CB HIS A 48 -4.003 -10.869 5.889 1.00 0.00 C ATOM 751 CG HIS A 48 -4.628 -11.655 6.999 1.00 0.00 C ATOM 752 ND1 HIS A 48 -5.935 -12.095 6.966 1.00 0.00 N ATOM 753 CD2 HIS A 48 -4.118 -12.081 8.178 1.00 0.00 C ATOM 754 CE1 HIS A 48 -6.202 -12.756 8.079 1.00 0.00 C ATOM 755 NE2 HIS A 48 -5.116 -12.762 8.829 1.00 0.00 N ATOM 0 H HIS A 48 -2.904 -9.219 4.387 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.272 -9.153 5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.424 -11.198 4.939 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.935 -11.086 5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.114 -11.916 8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.147 -13.213 8.332 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.032 -13.202 9.745 1.00 0.00 H new ATOM 764 N ILE A 49 -2.360 -8.478 7.306 1.00 0.00 N ATOM 765 CA ILE A 49 -1.671 -7.963 8.476 1.00 0.00 C ATOM 766 C ILE A 49 -2.310 -6.663 8.931 1.00 0.00 C ATOM 767 O ILE A 49 -2.601 -6.471 10.111 1.00 0.00 O ATOM 768 CB ILE A 49 -0.190 -7.684 8.159 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.491 -8.944 7.624 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.533 -7.156 9.392 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.421 -10.122 8.570 1.00 0.00 C ATOM 0 H ILE A 49 -1.786 -8.508 6.463 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.744 -8.716 9.261 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.141 -6.918 7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.028 -9.222 6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.537 -8.720 7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.578 -6.965 9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.062 -6.230 9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.477 -7.895 10.191 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.925 -10.979 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.910 -9.864 9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.622 -10.374 8.761 1.00 0.00 H new ATOM 783 N LEU A 50 -2.512 -5.772 7.972 1.00 0.00 N ATOM 784 CA LEU A 50 -3.097 -4.473 8.227 1.00 0.00 C ATOM 785 C LEU A 50 -4.628 -4.504 8.189 1.00 0.00 C ATOM 786 O LEU A 50 -5.288 -3.793 8.946 1.00 0.00 O ATOM 787 CB LEU A 50 -2.563 -3.505 7.176 1.00 0.00 C ATOM 788 CG LEU A 50 -3.023 -3.781 5.745 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.316 -3.038 5.439 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.936 -3.395 4.754 1.00 0.00 C ATOM 0 H LEU A 50 -2.273 -5.934 6.994 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.820 -4.153 9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.865 -2.494 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.474 -3.530 7.202 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.216 -4.849 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.624 -3.250 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.095 -3.365 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.156 -1.966 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.280 -3.598 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.711 -2.333 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.037 -3.977 4.956 1.00 0.00 H new ATOM 802 N ASP A 51 -5.186 -5.329 7.309 1.00 0.00 N ATOM 803 CA ASP A 51 -6.638 -5.435 7.160 1.00 0.00 C ATOM 804 C ASP A 51 -7.172 -6.736 7.754 1.00 0.00 C ATOM 805 O ASP A 51 -7.881 -7.484 7.080 1.00 0.00 O ATOM 806 CB ASP A 51 -7.010 -5.361 5.684 1.00 0.00 C ATOM 807 CG ASP A 51 -8.491 -5.151 5.452 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.261 -6.117 5.628 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.881 -4.021 5.095 1.00 0.00 O ATOM 0 H ASP A 51 -4.655 -5.937 6.685 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.090 -4.605 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.457 -4.546 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.699 -6.282 5.191 1.00 0.00 H new ATOM 814 N LYS A 52 -6.833 -7.009 9.010 1.00 0.00 N ATOM 815 CA LYS A 52 -7.286 -8.231 9.664 1.00 0.00 C ATOM 816 C LYS A 52 -8.790 -8.203 9.965 1.00 0.00 C ATOM 817 O LYS A 52 -9.521 -9.108 9.565 1.00 0.00 O ATOM 818 CB LYS A 52 -6.462 -8.515 10.934 1.00 0.00 C ATOM 819 CG LYS A 52 -6.822 -7.681 12.162 1.00 0.00 C ATOM 820 CD LYS A 52 -6.384 -6.228 12.029 1.00 0.00 C ATOM 821 CE LYS A 52 -4.886 -6.117 11.809 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.427 -4.700 11.803 1.00 0.00 N ATOM 0 H LYS A 52 -6.251 -6.406 9.591 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.121 -9.051 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.574 -9.569 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.409 -8.353 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.900 -7.719 12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.355 -8.119 13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.911 -5.763 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.662 -5.679 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.363 -6.664 12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.623 -6.588 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.397 -4.668 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.669 -4.261 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.895 -4.180 12.573 1.00 0.00 H new ATOM 836 N ASP A 53 -9.252 -7.168 10.665 1.00 0.00 N ATOM 837 CA ASP A 53 -10.666 -7.054 11.014 1.00 0.00 C ATOM 838 C ASP A 53 -11.313 -5.830 10.372 1.00 0.00 C ATOM 839 O ASP A 53 -12.327 -5.333 10.861 1.00 0.00 O ATOM 840 CB ASP A 53 -10.830 -6.985 12.533 1.00 0.00 C ATOM 841 CG ASP A 53 -10.142 -5.774 13.133 1.00 0.00 C ATOM 842 OD1 ASP A 53 -10.762 -4.689 13.154 1.00 0.00 O ATOM 843 OD2 ASP A 53 -8.986 -5.910 13.584 1.00 0.00 O ATOM 0 H ASP A 53 -8.670 -6.400 11.000 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.170 -7.941 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.891 -6.957 12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.422 -7.891 12.982 1.00 0.00 H new ATOM 848 N LYS A 54 -10.733 -5.341 9.281 1.00 0.00 N ATOM 849 CA LYS A 54 -11.273 -4.163 8.609 1.00 0.00 C ATOM 850 C LYS A 54 -12.404 -4.523 7.634 1.00 0.00 C ATOM 851 O LYS A 54 -12.992 -3.640 7.010 1.00 0.00 O ATOM 852 CB LYS A 54 -10.162 -3.412 7.896 1.00 0.00 C ATOM 853 CG LYS A 54 -10.577 -2.046 7.375 1.00 0.00 C ATOM 854 CD LYS A 54 -10.932 -1.103 8.513 1.00 0.00 C ATOM 855 CE LYS A 54 -11.467 0.222 7.991 1.00 0.00 C ATOM 856 NZ LYS A 54 -12.754 0.052 7.262 1.00 0.00 N ATOM 0 H LYS A 54 -9.899 -5.736 8.847 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.705 -3.515 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.323 -3.289 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.807 -4.016 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.766 -1.618 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.433 -2.154 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.678 -1.571 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.050 -0.924 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.610 0.910 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.731 0.675 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.195 0.982 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.575 -0.396 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.393 -0.550 7.821 1.00 0.00 H new ATOM 870 N SER A 55 -12.709 -5.820 7.511 1.00 0.00 N ATOM 871 CA SER A 55 -13.782 -6.299 6.628 1.00 0.00 C ATOM 872 C SER A 55 -13.321 -6.438 5.177 1.00 0.00 C ATOM 873 O SER A 55 -14.143 -6.554 4.268 1.00 0.00 O ATOM 874 CB SER A 55 -15.007 -5.379 6.698 1.00 0.00 C ATOM 875 OG SER A 55 -16.142 -6.001 6.119 1.00 0.00 O ATOM 0 H SER A 55 -12.225 -6.562 8.015 1.00 0.00 H new ATOM 0 HA SER A 55 -14.058 -7.290 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.217 -5.125 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.795 -4.445 6.178 1.00 0.00 H new ATOM 0 HG SER A 55 -15.888 -6.421 5.271 1.00 0.00 H new ATOM 881 N GLY A 56 -12.009 -6.423 4.960 1.00 0.00 N ATOM 882 CA GLY A 56 -11.480 -6.566 3.611 1.00 0.00 C ATOM 883 C GLY A 56 -11.418 -5.255 2.845 1.00 0.00 C ATOM 884 O GLY A 56 -10.775 -5.176 1.798 1.00 0.00 O ATOM 0 H GLY A 56 -11.304 -6.315 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.479 -6.995 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.100 -7.272 3.059 1.00 0.00 H new ATOM 888 N PHE A 57 -12.083 -4.226 3.360 1.00 0.00 N ATOM 889 CA PHE A 57 -12.076 -2.918 2.717 1.00 0.00 C ATOM 890 C PHE A 57 -11.691 -1.850 3.723 1.00 0.00 C ATOM 891 O PHE A 57 -12.292 -1.745 4.791 1.00 0.00 O ATOM 892 CB PHE A 57 -13.441 -2.592 2.106 1.00 0.00 C ATOM 893 CG PHE A 57 -13.877 -3.571 1.056 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.550 -4.731 1.406 1.00 0.00 C ATOM 895 CD2 PHE A 57 -13.614 -3.331 -0.283 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.953 -5.633 0.440 1.00 0.00 C ATOM 897 CE2 PHE A 57 -14.014 -4.230 -1.254 1.00 0.00 C ATOM 898 CZ PHE A 57 -14.685 -5.382 -0.892 1.00 0.00 C ATOM 0 H PHE A 57 -12.632 -4.273 4.218 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.342 -2.940 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.188 -2.566 2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.405 -1.594 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.762 -4.932 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.091 -2.431 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.477 -6.533 0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.802 -4.032 -2.294 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.000 -6.085 -1.649 1.00 0.00 H new ATOM 908 N ILE A 58 -10.698 -1.047 3.374 1.00 0.00 N ATOM 909 CA ILE A 58 -10.222 -0.001 4.264 1.00 0.00 C ATOM 910 C ILE A 58 -10.716 1.362 3.806 1.00 0.00 C ATOM 911 O ILE A 58 -10.765 1.658 2.616 1.00 0.00 O ATOM 912 CB ILE A 58 -8.688 -0.021 4.371 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.188 -1.469 4.427 1.00 0.00 C ATOM 914 CG2 ILE A 58 -8.251 0.739 5.611 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.692 -1.611 4.261 1.00 0.00 C ATOM 0 H ILE A 58 -10.207 -1.100 2.482 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.628 -0.194 5.257 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.258 0.462 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.480 -1.907 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.686 -2.045 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.164 0.723 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.595 1.771 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.681 0.269 6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.419 -2.665 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.393 -1.205 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.184 -1.065 5.056 1.00 0.00 H new ATOM 927 N GLU A 59 -11.051 2.193 4.776 1.00 0.00 N ATOM 928 CA GLU A 59 -11.621 3.503 4.520 1.00 0.00 C ATOM 929 C GLU A 59 -10.621 4.625 4.738 1.00 0.00 C ATOM 930 O GLU A 59 -9.814 4.595 5.659 1.00 0.00 O ATOM 931 CB GLU A 59 -12.822 3.679 5.438 1.00 0.00 C ATOM 932 CG GLU A 59 -14.136 3.241 4.810 1.00 0.00 C ATOM 933 CD GLU A 59 -15.239 3.058 5.834 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.270 1.997 6.490 1.00 0.00 O ATOM 935 OE2 GLU A 59 -16.072 3.978 5.981 1.00 0.00 O ATOM 0 H GLU A 59 -10.935 1.978 5.766 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.918 3.558 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.657 3.108 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.898 4.727 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.448 3.982 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.984 2.304 4.274 1.00 0.00 H new ATOM 942 N GLU A 60 -10.717 5.625 3.875 1.00 0.00 N ATOM 943 CA GLU A 60 -9.845 6.798 3.900 1.00 0.00 C ATOM 944 C GLU A 60 -9.524 7.253 5.323 1.00 0.00 C ATOM 945 O GLU A 60 -8.449 7.799 5.575 1.00 0.00 O ATOM 946 CB GLU A 60 -10.513 7.940 3.147 1.00 0.00 C ATOM 947 CG GLU A 60 -11.886 8.246 3.691 1.00 0.00 C ATOM 948 CD GLU A 60 -12.265 9.706 3.554 1.00 0.00 C ATOM 949 OE1 GLU A 60 -12.822 10.079 2.500 1.00 0.00 O ATOM 950 OE2 GLU A 60 -12.008 10.478 4.501 1.00 0.00 O ATOM 0 H GLU A 60 -11.410 5.649 3.127 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.906 6.519 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.890 8.832 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.590 7.682 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.622 7.635 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.925 7.963 4.743 1.00 0.00 H new ATOM 957 N ASP A 61 -10.457 7.037 6.245 1.00 0.00 N ATOM 958 CA ASP A 61 -10.261 7.447 7.631 1.00 0.00 C ATOM 959 C ASP A 61 -9.187 6.603 8.309 1.00 0.00 C ATOM 960 O ASP A 61 -8.250 7.137 8.900 1.00 0.00 O ATOM 961 CB ASP A 61 -11.575 7.341 8.407 1.00 0.00 C ATOM 962 CG ASP A 61 -12.668 8.204 7.811 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.754 9.394 8.183 1.00 0.00 O ATOM 964 OD2 ASP A 61 -13.438 7.693 6.971 1.00 0.00 O ATOM 0 H ASP A 61 -11.351 6.583 6.059 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.929 8.485 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.903 6.302 8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.407 7.636 9.443 1.00 0.00 H new ATOM 969 N GLU A 62 -9.329 5.286 8.221 1.00 0.00 N ATOM 970 CA GLU A 62 -8.357 4.375 8.818 1.00 0.00 C ATOM 971 C GLU A 62 -7.198 4.141 7.855 1.00 0.00 C ATOM 972 O GLU A 62 -6.076 3.849 8.266 1.00 0.00 O ATOM 973 CB GLU A 62 -9.019 3.045 9.184 1.00 0.00 C ATOM 974 CG GLU A 62 -10.035 3.164 10.306 1.00 0.00 C ATOM 975 CD GLU A 62 -11.178 4.098 9.961 1.00 0.00 C ATOM 976 OE1 GLU A 62 -12.159 3.631 9.344 1.00 0.00 O ATOM 977 OE2 GLU A 62 -11.093 5.295 10.307 1.00 0.00 O ATOM 0 H GLU A 62 -10.104 4.825 7.744 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.971 4.829 9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.511 2.638 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.248 2.332 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.435 2.176 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.536 3.523 11.206 1.00 0.00 H new ATOM 984 N LEU A 63 -7.491 4.285 6.569 1.00 0.00 N ATOM 985 CA LEU A 63 -6.522 4.115 5.513 1.00 0.00 C ATOM 986 C LEU A 63 -5.225 4.846 5.818 1.00 0.00 C ATOM 987 O LEU A 63 -4.135 4.274 5.732 1.00 0.00 O ATOM 988 CB LEU A 63 -7.145 4.621 4.227 1.00 0.00 C ATOM 989 CG LEU A 63 -7.988 3.587 3.487 1.00 0.00 C ATOM 990 CD1 LEU A 63 -8.679 4.192 2.276 1.00 0.00 C ATOM 991 CD2 LEU A 63 -7.111 2.435 3.071 1.00 0.00 C ATOM 0 H LEU A 63 -8.423 4.527 6.234 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.263 3.060 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.769 5.485 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.352 4.967 3.564 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.767 3.231 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.270 3.426 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.333 5.003 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.930 4.582 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.710 1.694 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.320 2.798 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.667 1.978 3.955 1.00 0.00 H new ATOM 1003 N GLY A 64 -5.349 6.108 6.185 1.00 0.00 N ATOM 1004 CA GLY A 64 -4.179 6.902 6.502 1.00 0.00 C ATOM 1005 C GLY A 64 -3.500 6.442 7.769 1.00 0.00 C ATOM 1006 O GLY A 64 -2.296 6.632 7.941 1.00 0.00 O ATOM 0 H GLY A 64 -6.238 6.600 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.472 6.850 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.470 7.947 6.607 1.00 0.00 H new ATOM 1010 N SER A 65 -4.269 5.832 8.659 1.00 0.00 N ATOM 1011 CA SER A 65 -3.725 5.329 9.907 1.00 0.00 C ATOM 1012 C SER A 65 -3.095 3.966 9.675 1.00 0.00 C ATOM 1013 O SER A 65 -1.894 3.788 9.819 1.00 0.00 O ATOM 1014 CB SER A 65 -4.822 5.225 10.968 1.00 0.00 C ATOM 1015 OG SER A 65 -5.405 6.491 11.226 1.00 0.00 O ATOM 0 H SER A 65 -5.270 5.675 8.538 1.00 0.00 H new ATOM 0 HA SER A 65 -2.965 6.023 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.591 4.529 10.633 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.404 4.819 11.889 1.00 0.00 H new ATOM 0 HG SER A 65 -6.104 6.397 11.906 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.912 3.012 9.274 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.440 1.662 9.015 1.00 0.00 C ATOM 1023 C ILE A 66 -2.314 1.638 7.973 1.00 0.00 C ATOM 1024 O ILE A 66 -1.600 0.642 7.848 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.596 0.768 8.542 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.111 -0.654 8.340 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -5.209 1.321 7.267 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.518 -1.271 9.587 1.00 0.00 C ATOM 0 H ILE A 66 -4.911 3.146 9.119 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.041 1.278 9.954 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.369 0.759 9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.944 -1.269 8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.363 -0.665 7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.026 0.675 6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.591 2.325 7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.450 1.361 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.192 -2.288 9.370 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.664 -0.678 9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.270 -1.292 10.376 1.00 0.00 H new ATOM 1040 N LEU A 67 -2.156 2.734 7.225 1.00 0.00 N ATOM 1041 CA LEU A 67 -1.122 2.833 6.198 1.00 0.00 C ATOM 1042 C LEU A 67 0.288 2.699 6.767 1.00 0.00 C ATOM 1043 O LEU A 67 1.136 1.989 6.206 1.00 0.00 O ATOM 1044 CB LEU A 67 -1.272 4.176 5.490 1.00 0.00 C ATOM 1045 CG LEU A 67 -1.690 4.107 4.012 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -0.478 3.905 3.129 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.708 3.000 3.766 1.00 0.00 C ATOM 0 H LEU A 67 -2.736 3.568 7.315 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.256 2.006 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.009 4.770 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.323 4.709 5.556 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.162 5.057 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.791 3.858 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.213 4.737 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.019 2.974 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.979 2.983 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.275 2.039 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.599 3.185 4.366 1.00 0.00 H new ATOM 1059 N LYS A 68 0.551 3.373 7.878 1.00 0.00 N ATOM 1060 CA LYS A 68 1.863 3.313 8.481 1.00 0.00 C ATOM 1061 C LYS A 68 2.256 1.887 8.865 1.00 0.00 C ATOM 1062 O LYS A 68 3.391 1.645 9.255 1.00 0.00 O ATOM 1063 CB LYS A 68 1.959 4.273 9.661 1.00 0.00 C ATOM 1064 CG LYS A 68 0.721 4.332 10.527 1.00 0.00 C ATOM 1065 CD LYS A 68 0.310 2.955 11.022 1.00 0.00 C ATOM 1066 CE LYS A 68 1.365 2.356 11.939 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.926 1.056 12.516 1.00 0.00 N ATOM 0 H LYS A 68 -0.122 3.960 8.371 1.00 0.00 H new ATOM 0 HA LYS A 68 2.587 3.635 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.807 3.982 10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.170 5.273 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.906 4.984 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.098 4.773 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.638 3.026 11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.149 2.294 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.291 2.212 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.584 3.056 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.673 0.681 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.057 1.198 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.741 0.380 11.748 1.00 0.00 H new ATOM 1081 N GLY A 69 1.326 0.928 8.771 1.00 0.00 N ATOM 1082 CA GLY A 69 1.690 -0.452 9.059 1.00 0.00 C ATOM 1083 C GLY A 69 2.953 -0.828 8.303 1.00 0.00 C ATOM 1084 O GLY A 69 3.855 -1.466 8.848 1.00 0.00 O ATOM 0 H GLY A 69 0.352 1.079 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.847 -0.579 10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.875 -1.118 8.775 1.00 0.00 H new ATOM 1088 N PHE A 70 3.001 -0.425 7.032 1.00 0.00 N ATOM 1089 CA PHE A 70 4.166 -0.657 6.191 1.00 0.00 C ATOM 1090 C PHE A 70 5.043 0.593 6.171 1.00 0.00 C ATOM 1091 O PHE A 70 6.252 0.527 6.386 1.00 0.00 O ATOM 1092 CB PHE A 70 3.764 -1.040 4.756 1.00 0.00 C ATOM 1093 CG PHE A 70 2.563 -0.308 4.209 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.282 -0.716 4.543 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.715 0.770 3.341 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.175 -0.067 4.028 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.607 1.423 2.820 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.338 1.000 3.167 1.00 0.00 C ATOM 0 H PHE A 70 2.239 0.066 6.565 1.00 0.00 H new ATOM 0 HA PHE A 70 4.725 -1.493 6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.613 -0.857 4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.562 -2.111 4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.146 -1.551 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.706 1.102 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.818 -0.395 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.736 2.258 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.528 1.505 2.764 1.00 0.00 H new ATOM 1108 N SER A 71 4.390 1.735 5.947 1.00 0.00 N ATOM 1109 CA SER A 71 5.051 3.041 5.866 1.00 0.00 C ATOM 1110 C SER A 71 5.567 3.550 7.217 1.00 0.00 C ATOM 1111 O SER A 71 6.132 4.640 7.290 1.00 0.00 O ATOM 1112 CB SER A 71 4.095 4.070 5.266 1.00 0.00 C ATOM 1113 OG SER A 71 3.472 3.566 4.098 1.00 0.00 O ATOM 0 H SER A 71 3.380 1.781 5.816 1.00 0.00 H new ATOM 0 HA SER A 71 5.923 2.906 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.335 4.337 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.641 4.982 5.026 1.00 0.00 H new ATOM 0 HG SER A 71 3.099 2.679 4.283 1.00 0.00 H new ATOM 1119 N SER A 72 5.367 2.785 8.283 1.00 0.00 N ATOM 1120 CA SER A 72 5.801 3.206 9.617 1.00 0.00 C ATOM 1121 C SER A 72 7.228 3.748 9.609 1.00 0.00 C ATOM 1122 O SER A 72 7.596 4.546 10.470 1.00 0.00 O ATOM 1123 CB SER A 72 5.709 2.038 10.602 1.00 0.00 C ATOM 1124 OG SER A 72 6.110 0.823 9.993 1.00 0.00 O ATOM 0 H SER A 72 4.910 1.874 8.255 1.00 0.00 H new ATOM 0 HA SER A 72 5.134 4.008 9.931 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.339 2.239 11.469 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.686 1.945 10.966 1.00 0.00 H new ATOM 0 HG SER A 72 6.043 0.093 10.644 1.00 0.00 H new ATOM 1130 N ASP A 73 8.031 3.320 8.642 1.00 0.00 N ATOM 1131 CA ASP A 73 9.408 3.790 8.544 1.00 0.00 C ATOM 1132 C ASP A 73 9.513 4.942 7.542 1.00 0.00 C ATOM 1133 O ASP A 73 10.559 5.164 6.932 1.00 0.00 O ATOM 1134 CB ASP A 73 10.332 2.641 8.155 1.00 0.00 C ATOM 1135 CG ASP A 73 11.778 3.073 8.002 1.00 0.00 C ATOM 1136 OD1 ASP A 73 12.495 3.118 9.025 1.00 0.00 O ATOM 1137 OD2 ASP A 73 12.193 3.367 6.861 1.00 0.00 O ATOM 0 H ASP A 73 7.756 2.654 7.920 1.00 0.00 H new ATOM 0 HA ASP A 73 9.720 4.164 9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.270 1.859 8.912 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.987 2.205 7.217 1.00 0.00 H new ATOM 1142 N ALA A 74 8.416 5.679 7.385 1.00 0.00 N ATOM 1143 CA ALA A 74 8.374 6.807 6.459 1.00 0.00 C ATOM 1144 C ALA A 74 7.395 7.877 6.934 1.00 0.00 C ATOM 1145 O ALA A 74 7.797 8.889 7.507 1.00 0.00 O ATOM 1146 CB ALA A 74 8.001 6.330 5.062 1.00 0.00 C ATOM 0 H ALA A 74 7.544 5.515 7.888 1.00 0.00 H new ATOM 0 HA ALA A 74 9.368 7.253 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.973 7.181 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.742 5.611 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.020 5.856 5.089 1.00 0.00 H new ATOM 1152 N ARG A 75 6.105 7.651 6.690 1.00 0.00 N ATOM 1153 CA ARG A 75 5.075 8.602 7.092 1.00 0.00 C ATOM 1154 C ARG A 75 3.679 8.005 6.918 1.00 0.00 C ATOM 1155 O ARG A 75 3.520 6.784 6.873 1.00 0.00 O ATOM 1156 CB ARG A 75 5.209 9.896 6.287 1.00 0.00 C ATOM 1157 CG ARG A 75 4.819 9.752 4.827 1.00 0.00 C ATOM 1158 CD ARG A 75 4.713 11.106 4.149 1.00 0.00 C ATOM 1159 NE ARG A 75 5.968 11.849 4.214 1.00 0.00 N ATOM 1160 CZ ARG A 75 6.052 13.169 4.079 1.00 0.00 C ATOM 1161 NH1 ARG A 75 4.956 13.888 3.873 1.00 0.00 N ATOM 1162 NH2 ARG A 75 7.231 13.771 4.153 1.00 0.00 N ATOM 0 H ARG A 75 5.751 6.819 6.217 1.00 0.00 H new ATOM 0 HA ARG A 75 5.213 8.829 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.587 10.664 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.240 10.244 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.558 9.140 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.865 9.230 4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.427 10.968 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.922 11.688 4.622 1.00 0.00 H new ATOM 0 HE ARG A 75 6.829 11.326 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.047 13.428 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.022 14.901 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.075 13.221 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.294 14.784 4.049 1.00 0.00 H new ATOM 1176 N ASP A 76 2.669 8.866 6.820 1.00 0.00 N ATOM 1177 CA ASP A 76 1.289 8.415 6.673 1.00 0.00 C ATOM 1178 C ASP A 76 0.719 8.746 5.292 1.00 0.00 C ATOM 1179 O ASP A 76 1.428 9.220 4.403 1.00 0.00 O ATOM 1180 CB ASP A 76 0.427 9.058 7.759 1.00 0.00 C ATOM 1181 CG ASP A 76 0.255 10.550 7.553 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.091 11.321 8.070 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -0.716 10.948 6.876 1.00 0.00 O ATOM 0 H ASP A 76 2.781 9.880 6.840 1.00 0.00 H new ATOM 0 HA ASP A 76 1.278 7.330 6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.553 8.580 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.881 8.879 8.733 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.575 8.483 5.138 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.301 8.721 3.891 1.00 0.00 C ATOM 1190 C LEU A 77 -2.405 9.749 4.119 1.00 0.00 C ATOM 1191 O LEU A 77 -3.558 9.391 4.360 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.891 7.390 3.418 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.100 7.456 2.475 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -2.766 6.814 1.138 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.300 6.764 3.106 1.00 0.00 C ATOM 0 H LEU A 77 -1.156 8.095 5.881 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.628 9.115 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.102 6.829 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.180 6.816 4.299 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.349 8.503 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.634 6.869 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.930 7.342 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.494 5.770 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.150 6.818 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.057 5.719 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.553 7.258 4.044 1.00 0.00 H new ATOM 1207 N SER A 78 -2.049 11.026 4.041 1.00 0.00 N ATOM 1208 CA SER A 78 -3.014 12.095 4.251 1.00 0.00 C ATOM 1209 C SER A 78 -4.006 12.160 3.098 1.00 0.00 C ATOM 1210 O SER A 78 -4.002 11.306 2.212 1.00 0.00 O ATOM 1211 CB SER A 78 -2.296 13.438 4.399 1.00 0.00 C ATOM 1212 OG SER A 78 -1.533 13.739 3.244 1.00 0.00 O ATOM 0 H SER A 78 -1.102 11.344 3.835 1.00 0.00 H new ATOM 0 HA SER A 78 -3.562 11.883 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.027 14.228 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.644 13.411 5.272 1.00 0.00 H new ATOM 0 HG SER A 78 -1.086 14.603 3.363 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.859 13.181 3.113 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.855 13.367 2.064 1.00 0.00 C ATOM 1220 C ALA A 79 -5.220 13.227 0.687 1.00 0.00 C ATOM 1221 O ALA A 79 -5.723 12.512 -0.179 1.00 0.00 O ATOM 1222 CB ALA A 79 -6.494 14.736 2.198 1.00 0.00 C ATOM 0 H ALA A 79 -4.879 13.893 3.843 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.619 12.598 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.237 14.869 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.977 14.818 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.728 15.506 2.107 1.00 0.00 H new ATOM 1228 N LYS A 80 -4.107 13.922 0.506 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.374 13.894 -0.754 1.00 0.00 C ATOM 1230 C LYS A 80 -3.125 12.461 -1.217 1.00 0.00 C ATOM 1231 O LYS A 80 -3.454 12.104 -2.345 1.00 0.00 O ATOM 1232 CB LYS A 80 -2.039 14.625 -0.596 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.210 14.662 -1.868 1.00 0.00 C ATOM 1234 CD LYS A 80 0.060 15.477 -1.684 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.254 16.913 -1.295 1.00 0.00 C ATOM 1236 NZ LYS A 80 0.974 17.753 -1.239 1.00 0.00 N ATOM 0 H LYS A 80 -3.688 14.517 1.221 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.979 14.396 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.231 15.647 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.460 14.141 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.951 13.645 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.803 15.088 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.681 15.018 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.638 15.467 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.953 17.339 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.748 16.926 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.718 18.725 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.631 17.361 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.432 17.761 -2.173 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.549 11.646 -0.341 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.250 10.260 -0.656 1.00 0.00 C ATOM 1252 C GLU A 81 -3.526 9.442 -0.739 1.00 0.00 C ATOM 1253 O GLU A 81 -3.592 8.462 -1.467 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.331 9.672 0.407 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.294 10.649 0.935 1.00 0.00 C ATOM 1256 CD GLU A 81 0.449 11.367 -0.176 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.359 10.755 -0.771 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.117 12.539 -0.450 1.00 0.00 O ATOM 0 H GLU A 81 -2.279 11.928 0.601 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.751 10.227 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.937 9.316 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.819 8.804 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.784 11.384 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.422 10.112 1.558 1.00 0.00 H new ATOM 1265 N THR A 82 -4.536 9.818 0.031 1.00 0.00 N ATOM 1266 CA THR A 82 -5.795 9.100 -0.035 1.00 0.00 C ATOM 1267 C THR A 82 -6.333 9.240 -1.447 1.00 0.00 C ATOM 1268 O THR A 82 -6.723 8.268 -2.088 1.00 0.00 O ATOM 1269 CB THR A 82 -6.828 9.652 0.963 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.294 9.617 2.293 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.115 8.845 0.909 1.00 0.00 C ATOM 0 H THR A 82 -4.510 10.595 0.691 1.00 0.00 H new ATOM 0 HA THR A 82 -5.621 8.056 0.226 1.00 0.00 H new ATOM 0 HB THR A 82 -7.050 10.683 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.512 10.206 2.347 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.831 9.253 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.535 8.896 -0.096 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.904 7.806 1.161 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.338 10.474 -1.918 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.772 10.784 -3.265 1.00 0.00 C ATOM 1281 C LYS A 83 -5.713 10.384 -4.291 1.00 0.00 C ATOM 1282 O LYS A 83 -6.038 10.081 -5.437 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.089 12.273 -3.388 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.445 12.643 -2.814 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.573 12.143 -3.699 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.830 11.859 -2.894 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.242 13.034 -2.077 1.00 0.00 N ATOM 0 H LYS A 83 -6.042 11.287 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.676 10.210 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.316 12.846 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.056 12.560 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.548 12.218 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.515 13.726 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.791 12.886 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.257 11.236 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.640 11.585 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.657 11.004 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.187 12.865 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.560 13.177 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.267 13.883 -2.678 1.00 0.00 H new ATOM 1301 N THR A 84 -4.441 10.395 -3.881 1.00 0.00 N ATOM 1302 CA THR A 84 -3.358 10.069 -4.798 1.00 0.00 C ATOM 1303 C THR A 84 -3.058 8.575 -4.861 1.00 0.00 C ATOM 1304 O THR A 84 -3.110 7.967 -5.929 1.00 0.00 O ATOM 1305 CB THR A 84 -2.064 10.828 -4.439 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.303 12.241 -4.461 1.00 0.00 O ATOM 1307 CG2 THR A 84 -0.945 10.492 -5.413 1.00 0.00 C ATOM 0 H THR A 84 -4.144 10.623 -2.932 1.00 0.00 H new ATOM 0 HA THR A 84 -3.707 10.385 -5.781 1.00 0.00 H new ATOM 0 HB THR A 84 -1.760 10.521 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.784 12.504 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.045 11.041 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.742 9.422 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.245 10.773 -6.423 1.00 0.00 H new ATOM 1315 N LEU A 85 -2.743 7.988 -3.714 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.414 6.568 -3.650 1.00 0.00 C ATOM 1317 C LEU A 85 -3.649 5.671 -3.611 1.00 0.00 C ATOM 1318 O LEU A 85 -3.781 4.758 -4.428 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.537 6.282 -2.432 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.284 4.799 -2.148 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.445 4.181 -3.254 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.611 4.620 -0.795 1.00 0.00 C ATOM 0 H LEU A 85 -2.708 8.471 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.872 6.334 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.577 6.778 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.004 6.730 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.244 4.284 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.275 3.127 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.970 4.275 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.513 4.698 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.440 3.559 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.343 5.148 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.253 5.024 -0.013 1.00 0.00 H new ATOM 1334 N MET A 86 -4.574 5.941 -2.690 1.00 0.00 N ATOM 1335 CA MET A 86 -5.765 5.107 -2.575 1.00 0.00 C ATOM 1336 C MET A 86 -6.583 5.130 -3.860 1.00 0.00 C ATOM 1337 O MET A 86 -6.922 4.081 -4.409 1.00 0.00 O ATOM 1338 CB MET A 86 -6.625 5.559 -1.399 1.00 0.00 C ATOM 1339 CG MET A 86 -7.343 4.419 -0.702 1.00 0.00 C ATOM 1340 SD MET A 86 -6.206 3.312 0.150 1.00 0.00 S ATOM 1341 CE MET A 86 -5.217 4.486 1.072 1.00 0.00 C ATOM 0 H MET A 86 -4.523 6.714 -2.027 1.00 0.00 H new ATOM 0 HA MET A 86 -5.436 4.083 -2.399 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.995 6.077 -0.676 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.362 6.279 -1.754 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.056 4.826 0.015 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.917 3.852 -1.435 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.926 4.046 2.026 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.324 4.737 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.799 5.390 1.252 1.00 0.00 H new ATOM 1351 N ALA A 87 -6.886 6.327 -4.345 1.00 0.00 N ATOM 1352 CA ALA A 87 -7.656 6.481 -5.572 1.00 0.00 C ATOM 1353 C ALA A 87 -7.003 5.716 -6.717 1.00 0.00 C ATOM 1354 O ALA A 87 -7.673 5.313 -7.669 1.00 0.00 O ATOM 1355 CB ALA A 87 -7.802 7.954 -5.918 1.00 0.00 C ATOM 0 H ALA A 87 -6.610 7.206 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.650 6.064 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.379 8.056 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.317 8.469 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.815 8.394 -6.059 1.00 0.00 H new ATOM 1361 N ALA A 88 -5.689 5.516 -6.619 1.00 0.00 N ATOM 1362 CA ALA A 88 -4.950 4.795 -7.645 1.00 0.00 C ATOM 1363 C ALA A 88 -5.166 3.296 -7.494 1.00 0.00 C ATOM 1364 O ALA A 88 -5.662 2.635 -8.407 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.469 5.131 -7.568 1.00 0.00 C ATOM 0 H ALA A 88 -5.119 5.844 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.321 5.102 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.931 4.584 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.331 6.202 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.082 4.849 -6.589 1.00 0.00 H new ATOM 1371 N GLY A 89 -4.796 2.766 -6.332 1.00 0.00 N ATOM 1372 CA GLY A 89 -4.973 1.350 -6.075 1.00 0.00 C ATOM 1373 C GLY A 89 -6.383 0.897 -6.393 1.00 0.00 C ATOM 1374 O GLY A 89 -6.593 -0.132 -7.035 1.00 0.00 O ATOM 0 H GLY A 89 -4.377 3.292 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.263 0.780 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.750 1.139 -5.029 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.349 1.689 -5.959 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.757 1.412 -6.202 1.00 0.00 C ATOM 1380 C ASP A 90 -9.203 2.054 -7.514 1.00 0.00 C ATOM 1381 O ASP A 90 -10.300 2.586 -7.607 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.625 1.887 -5.038 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.476 3.368 -4.760 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.670 4.170 -5.697 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.175 3.727 -3.601 1.00 0.00 O ATOM 0 H ASP A 90 -7.180 2.543 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.883 0.332 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.670 1.666 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.361 1.326 -4.142 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.313 2.013 -8.510 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.525 2.588 -9.830 1.00 0.00 C ATOM 1392 C LYS A 91 -9.989 2.596 -10.261 1.00 0.00 C ATOM 1393 O LYS A 91 -10.435 3.523 -10.938 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.706 1.751 -10.794 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.551 2.333 -12.171 1.00 0.00 C ATOM 1396 CD LYS A 91 -8.871 2.377 -12.908 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.696 2.090 -14.390 1.00 0.00 C ATOM 1398 NZ LYS A 91 -7.860 3.124 -15.060 1.00 0.00 N ATOM 0 H LYS A 91 -7.402 1.565 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.221 3.635 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.715 1.599 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.169 0.768 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.141 3.340 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.836 1.739 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.555 1.647 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.328 3.358 -12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.235 1.111 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.674 2.047 -14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.820 2.930 -16.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.277 4.064 -14.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.898 3.102 -14.666 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.735 1.585 -9.867 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.152 1.521 -10.221 1.00 0.00 C ATOM 1414 C ASP A 92 -12.877 2.797 -9.780 1.00 0.00 C ATOM 1415 O ASP A 92 -13.956 3.114 -10.282 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.810 0.297 -9.585 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.154 -1.002 -10.011 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -12.523 -1.530 -11.081 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -11.271 -1.490 -9.276 1.00 0.00 O ATOM 0 H ASP A 92 -10.397 0.802 -9.308 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.227 1.434 -11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.762 0.386 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.865 0.274 -9.857 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.275 3.522 -8.836 1.00 0.00 N ATOM 1425 CA GLY A 93 -12.842 4.771 -8.361 1.00 0.00 C ATOM 1426 C GLY A 93 -13.816 4.598 -7.215 1.00 0.00 C ATOM 1427 O GLY A 93 -14.933 5.113 -7.263 1.00 0.00 O ATOM 0 H GLY A 93 -11.396 3.260 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.034 5.430 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.351 5.267 -9.188 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.402 3.873 -6.181 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.255 3.663 -5.019 1.00 0.00 C ATOM 1433 C ASP A 94 -13.684 4.349 -3.775 1.00 0.00 C ATOM 1434 O ASP A 94 -14.358 4.445 -2.751 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.449 2.168 -4.763 1.00 0.00 C ATOM 1436 CG ASP A 94 -13.169 1.378 -4.941 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -12.660 1.320 -6.080 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -12.675 0.816 -3.941 1.00 0.00 O ATOM 0 H ASP A 94 -12.488 3.424 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.225 4.113 -5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.824 2.022 -3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.208 1.782 -5.443 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.437 4.826 -3.865 1.00 0.00 N ATOM 1444 CA GLY A 95 -11.827 5.518 -2.741 1.00 0.00 C ATOM 1445 C GLY A 95 -11.248 4.601 -1.678 1.00 0.00 C ATOM 1446 O GLY A 95 -10.481 5.042 -0.822 1.00 0.00 O ATOM 0 H GLY A 95 -11.845 4.744 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.034 6.165 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.574 6.163 -2.279 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.611 3.333 -1.731 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.145 2.364 -0.746 1.00 0.00 C ATOM 1452 C LYS A 96 -10.391 1.207 -1.400 1.00 0.00 C ATOM 1453 O LYS A 96 -10.754 0.747 -2.482 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.342 1.832 0.048 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.270 2.936 0.529 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.433 2.386 1.337 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.404 3.490 1.723 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.484 2.995 2.621 1.00 0.00 N ATOM 0 H LYS A 96 -12.228 2.946 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.449 2.868 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.905 1.137 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.980 1.268 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.707 3.644 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.653 3.488 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.955 1.625 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.056 1.898 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.860 4.294 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.848 3.914 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.854 3.785 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.252 2.589 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.101 2.264 3.255 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.339 0.739 -0.731 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.544 -0.374 -1.234 1.00 0.00 C ATOM 1474 C ILE A 97 -8.847 -1.643 -0.443 1.00 0.00 C ATOM 1475 O ILE A 97 -9.015 -1.604 0.776 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.020 -0.076 -1.172 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.645 1.020 -2.171 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.196 -1.334 -1.442 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.151 1.258 -2.268 1.00 0.00 C ATOM 0 H ILE A 97 -9.019 1.115 0.161 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.818 -0.517 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.793 0.270 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.028 0.751 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.136 1.949 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.135 -1.091 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.431 -2.091 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.433 -1.718 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.955 2.047 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.766 1.557 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.656 0.341 -2.587 1.00 0.00 H new ATOM 1491 N GLY A 98 -8.912 -2.762 -1.148 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.182 -4.030 -0.506 1.00 0.00 C ATOM 1493 C GLY A 98 -8.463 -5.172 -1.186 1.00 0.00 C ATOM 1494 O GLY A 98 -7.636 -4.956 -2.071 1.00 0.00 O ATOM 0 H GLY A 98 -8.782 -2.814 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.876 -3.980 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.255 -4.220 -0.515 1.00 0.00 H new ATOM 1498 N VAL A 99 -8.782 -6.389 -0.774 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.168 -7.579 -1.351 1.00 0.00 C ATOM 1500 C VAL A 99 -8.195 -7.523 -2.883 1.00 0.00 C ATOM 1501 O VAL A 99 -7.153 -7.524 -3.536 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.896 -8.855 -0.849 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -8.573 -10.073 -1.701 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.547 -9.127 0.600 1.00 0.00 C ATOM 0 H VAL A 99 -9.464 -6.581 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.127 -7.614 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.967 -8.669 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -9.105 -10.941 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.882 -9.890 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.500 -10.262 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.065 -10.025 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.471 -9.273 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.853 -8.280 1.213 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.398 -7.474 -3.438 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.583 -7.426 -4.886 1.00 0.00 C ATOM 1516 C GLU A 100 -8.834 -6.262 -5.525 1.00 0.00 C ATOM 1517 O GLU A 100 -8.085 -6.444 -6.484 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.068 -7.319 -5.223 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.771 -6.213 -4.477 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.279 -6.273 -4.623 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -13.918 -7.037 -3.869 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -13.820 -5.557 -5.493 1.00 0.00 O ATOM 0 H GLU A 100 -10.268 -7.466 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.173 -8.351 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.179 -7.153 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.554 -8.268 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.510 -6.271 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.413 -5.250 -4.842 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.040 -5.068 -4.987 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.415 -3.869 -5.509 1.00 0.00 C ATOM 1531 C GLU A 101 -6.896 -3.894 -5.335 1.00 0.00 C ATOM 1532 O GLU A 101 -6.165 -3.306 -6.134 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.027 -2.658 -4.816 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.084 -1.957 -5.651 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.267 -2.852 -5.964 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.154 -2.988 -5.095 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.307 -3.419 -7.077 1.00 0.00 O ATOM 0 H GLU A 101 -9.643 -4.907 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.600 -3.813 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.471 -2.974 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.236 -1.948 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.433 -1.072 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.636 -1.613 -6.583 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.422 -4.580 -4.299 1.00 0.00 N ATOM 1545 CA PHE A 102 -4.988 -4.669 -4.043 1.00 0.00 C ATOM 1546 C PHE A 102 -4.248 -5.190 -5.270 1.00 0.00 C ATOM 1547 O PHE A 102 -3.040 -4.998 -5.406 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.686 -5.530 -2.821 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.704 -4.877 -1.896 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -4.092 -3.835 -1.069 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.392 -5.295 -1.867 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -3.179 -3.226 -0.227 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.471 -4.693 -1.030 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.866 -3.656 -0.208 1.00 0.00 C ATOM 0 H PHE A 102 -7.005 -5.079 -3.627 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.631 -3.661 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.612 -5.730 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.292 -6.493 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.117 -3.495 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.078 -6.105 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.492 -2.416 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.446 -5.033 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.151 -3.182 0.448 1.00 0.00 H new ATOM 1564 N SER A 103 -4.962 -5.891 -6.140 1.00 0.00 N ATOM 1565 CA SER A 103 -4.363 -6.401 -7.362 1.00 0.00 C ATOM 1566 C SER A 103 -4.144 -5.257 -8.349 1.00 0.00 C ATOM 1567 O SER A 103 -3.094 -5.158 -8.984 1.00 0.00 O ATOM 1568 CB SER A 103 -5.251 -7.477 -7.989 1.00 0.00 C ATOM 1569 OG SER A 103 -5.445 -8.563 -7.100 1.00 0.00 O ATOM 0 H SER A 103 -5.950 -6.117 -6.022 1.00 0.00 H new ATOM 0 HA SER A 103 -3.401 -6.851 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.216 -7.046 -8.256 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.795 -7.836 -8.912 1.00 0.00 H new ATOM 0 HG SER A 103 -6.017 -9.235 -7.525 1.00 0.00 H new ATOM 1575 N THR A 104 -5.143 -4.380 -8.455 1.00 0.00 N ATOM 1576 CA THR A 104 -5.071 -3.241 -9.363 1.00 0.00 C ATOM 1577 C THR A 104 -3.916 -2.309 -9.004 1.00 0.00 C ATOM 1578 O THR A 104 -3.207 -1.825 -9.887 1.00 0.00 O ATOM 1579 CB THR A 104 -6.386 -2.435 -9.371 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.491 -3.301 -9.663 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.330 -1.315 -10.403 1.00 0.00 C ATOM 0 H THR A 104 -6.011 -4.439 -7.922 1.00 0.00 H new ATOM 0 HA THR A 104 -4.901 -3.652 -10.358 1.00 0.00 H new ATOM 0 HB THR A 104 -6.520 -1.993 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.322 -2.782 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.269 -0.761 -10.390 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.507 -0.641 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.174 -1.741 -11.394 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.724 -2.053 -7.709 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.638 -1.167 -7.279 1.00 0.00 C ATOM 1591 C LEU A 105 -1.308 -1.624 -7.870 1.00 0.00 C ATOM 1592 O LEU A 105 -0.407 -0.815 -8.086 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.501 -1.060 -5.744 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.393 -1.953 -4.902 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.803 -2.115 -3.510 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -4.795 -1.371 -4.816 1.00 0.00 C ATOM 0 H LEU A 105 -4.292 -2.436 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.899 -0.176 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.465 -1.275 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.694 -0.026 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.454 -2.933 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.450 -2.758 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.813 -2.566 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.722 -1.138 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.423 -2.023 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.751 -0.382 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.218 -1.290 -5.818 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.187 -2.924 -8.131 1.00 0.00 N ATOM 1609 CA VAL A 106 0.041 -3.464 -8.700 1.00 0.00 C ATOM 1610 C VAL A 106 0.216 -2.987 -10.137 1.00 0.00 C ATOM 1611 O VAL A 106 1.327 -2.695 -10.577 1.00 0.00 O ATOM 1612 CB VAL A 106 0.059 -5.003 -8.671 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.378 -5.530 -9.217 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.181 -5.515 -7.257 1.00 0.00 C ATOM 0 H VAL A 106 -1.917 -3.615 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 106 0.865 -3.100 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.747 -5.369 -9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.374 -6.620 -9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.506 -5.194 -10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.200 -5.155 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.165 -6.605 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.601 -5.140 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.152 -5.167 -6.904 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.895 -2.912 -10.860 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.881 -2.459 -12.243 1.00 0.00 C ATOM 1626 C ALA A 107 -0.833 -0.934 -12.316 1.00 0.00 C ATOM 1627 O ALA A 107 -0.402 -0.362 -13.317 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.103 -2.989 -12.980 1.00 0.00 C ATOM 0 H ALA A 107 -1.820 -3.160 -10.508 1.00 0.00 H new ATOM 0 HA ALA A 107 0.016 -2.848 -12.724 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.082 -2.644 -14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.095 -4.079 -12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.008 -2.624 -12.494 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.278 -0.281 -11.244 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.289 1.175 -11.174 1.00 0.00 C ATOM 1636 C GLU A 108 0.124 1.742 -11.199 1.00 0.00 C ATOM 1637 O GLU A 108 0.558 2.327 -12.191 1.00 0.00 O ATOM 1638 CB GLU A 108 -1.979 1.639 -9.898 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.491 1.542 -9.964 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.124 2.725 -10.671 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.272 3.789 -10.034 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.471 2.588 -11.862 1.00 0.00 O ATOM 0 H GLU A 108 -1.637 -0.743 -10.408 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.833 1.538 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.620 1.041 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.697 2.672 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.770 0.624 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.891 1.472 -8.952 1.00 0.00 H new ATOM 1649 N SER A 109 0.834 1.559 -10.090 1.00 0.00 N ATOM 1650 CA SER A 109 2.192 2.061 -9.956 1.00 0.00 C ATOM 1651 C SER A 109 3.045 1.670 -11.159 1.00 0.00 C ATOM 1652 O SER A 109 3.087 2.451 -12.131 1.00 0.00 O ATOM 1653 CB SER A 109 2.823 1.529 -8.672 1.00 0.00 C ATOM 1654 OG SER A 109 4.233 1.569 -8.747 1.00 0.00 O ATOM 1655 OXT SER A 109 3.667 0.587 -11.115 1.00 0.00 O ATOM 0 H SER A 109 0.487 1.064 -9.269 1.00 0.00 H new ATOM 0 HA SER A 109 2.148 3.149 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.483 2.122 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.493 0.505 -8.498 1.00 0.00 H new ATOM 0 HG SER A 109 4.571 2.291 -8.177 1.00 0.00 H new TER 1661 SER A 109