USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 849 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 Single : A 4 THR OG1 : rot 180:sc= -0.752 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 43:sc= 1.05 USER MOD Single : A 12 LYS NZ :NH3+ -100:sc= -0.0693 (180deg=-0.808) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 15 GLN : amide:sc= -3.08! C(o=-3.1!,f=-8.1!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.104 (180deg=-0.438) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= -0.161 (180deg=-1.19) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.6) USER MOD Single : A 66 ASN : amide:sc= -0.593 K(o=-0.59,f=-5.7!) USER MOD Single : A 68 THR OG1 : rot 54:sc= 0.699 USER MOD Single : A 70 THR OG1 : rot -55:sc= 0.928 USER MOD Single : A 79 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.76) USER MOD Single : A 89 SER OG : rot 180:sc= -0.939 USER MOD Single : A 95 LYS NZ :NH3+ -129:sc= 0.297 (180deg=0.00084) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= -0.256 (180deg=-0.326) USER MOD Single : A 103 HIS : no HE2:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 106 ASN : amide:sc= -0.929 X(o=-0.93,f=-0.53) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 52:sc= 0.69 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 119 GLN : amide:sc= -0.919 K(o=-0.92,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 9.108 21.618 3.665 1.00 0.00 N ATOM 47 CA THR A 4 9.243 20.385 4.436 1.00 0.00 C ATOM 48 C THR A 4 8.697 19.192 3.657 1.00 0.00 C ATOM 49 O THR A 4 7.845 19.346 2.779 1.00 0.00 O ATOM 50 CB THR A 4 8.517 20.517 5.780 1.00 0.00 C ATOM 51 OG1 THR A 4 8.491 19.277 6.469 1.00 0.00 O ATOM 52 CG2 THR A 4 7.086 20.996 5.647 1.00 0.00 C ATOM 0 HA THR A 4 10.303 20.215 4.622 1.00 0.00 H new ATOM 0 HB THR A 4 9.085 21.264 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.024 19.387 7.324 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.633 21.067 6.636 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.073 21.977 5.171 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.521 20.290 5.038 1.00 0.00 H new ATOM 60 N VAL A 5 9.189 17.999 3.988 1.00 0.00 N ATOM 61 CA VAL A 5 8.748 16.783 3.323 1.00 0.00 C ATOM 62 C VAL A 5 8.340 15.724 4.344 1.00 0.00 C ATOM 63 O VAL A 5 9.153 15.287 5.163 1.00 0.00 O ATOM 64 CB VAL A 5 9.848 16.208 2.406 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.293 15.075 1.558 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.441 17.300 1.522 1.00 0.00 C ATOM 0 H VAL A 5 9.892 17.853 4.712 1.00 0.00 H new ATOM 0 HA VAL A 5 7.886 17.048 2.711 1.00 0.00 H new ATOM 0 HB VAL A 5 10.645 15.811 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.081 14.680 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.923 14.282 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.476 15.449 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.214 16.872 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.656 17.732 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.877 18.078 2.148 1.00 0.00 H new ATOM 76 N LYS A 6 7.072 15.317 4.285 1.00 0.00 N ATOM 77 CA LYS A 6 6.542 14.308 5.197 1.00 0.00 C ATOM 78 C LYS A 6 5.658 13.316 4.445 1.00 0.00 C ATOM 79 O LYS A 6 4.527 13.635 4.073 1.00 0.00 O ATOM 80 CB LYS A 6 5.748 14.974 6.326 1.00 0.00 C ATOM 81 CG LYS A 6 6.472 16.139 6.987 1.00 0.00 C ATOM 82 CD LYS A 6 5.776 16.578 8.265 1.00 0.00 C ATOM 83 CE LYS A 6 6.437 15.974 9.496 1.00 0.00 C ATOM 84 NZ LYS A 6 5.496 15.870 10.646 1.00 0.00 N ATOM 0 H LYS A 6 6.393 15.673 3.613 1.00 0.00 H new ATOM 0 HA LYS A 6 7.381 13.764 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.797 15.329 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.517 14.226 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.498 15.850 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.522 16.978 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.796 17.665 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.728 16.280 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.820 14.983 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.293 16.585 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.989 15.454 11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.150 16.818 10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.691 15.266 10.383 1.00 0.00 H new ATOM 98 N ARG A 7 6.187 12.114 4.216 1.00 0.00 N ATOM 99 CA ARG A 7 5.453 11.069 3.501 1.00 0.00 C ATOM 100 C ARG A 7 5.388 9.785 4.326 1.00 0.00 C ATOM 101 O ARG A 7 6.119 9.628 5.305 1.00 0.00 O ATOM 102 CB ARG A 7 6.113 10.790 2.146 1.00 0.00 C ATOM 103 CG ARG A 7 6.470 12.047 1.365 1.00 0.00 C ATOM 104 CD ARG A 7 7.075 11.712 0.010 1.00 0.00 C ATOM 105 NE ARG A 7 8.317 12.444 -0.235 1.00 0.00 N ATOM 106 CZ ARG A 7 8.802 12.711 -1.450 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.155 12.311 -2.541 1.00 0.00 N ATOM 108 NH2 ARG A 7 9.941 13.384 -1.576 1.00 0.00 N ATOM 0 H ARG A 7 7.122 11.839 4.516 1.00 0.00 H new ATOM 0 HA ARG A 7 4.435 11.422 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.018 10.205 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.441 10.178 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.576 12.655 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.176 12.646 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.269 10.641 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.356 11.946 -0.775 1.00 0.00 H new ATOM 0 HE ARG A 7 8.846 12.771 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.279 11.795 -2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.534 12.520 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.444 13.696 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.313 13.589 -2.504 1.00 0.00 H new ATOM 122 N THR A 8 4.507 8.869 3.926 1.00 0.00 N ATOM 123 CA THR A 8 4.340 7.596 4.628 1.00 0.00 C ATOM 124 C THR A 8 3.397 6.668 3.866 1.00 0.00 C ATOM 125 O THR A 8 2.374 7.106 3.341 1.00 0.00 O ATOM 126 CB THR A 8 3.808 7.833 6.050 1.00 0.00 C ATOM 127 OG1 THR A 8 3.379 6.617 6.641 1.00 0.00 O ATOM 128 CG2 THR A 8 2.643 8.803 6.103 1.00 0.00 C ATOM 0 H THR A 8 3.896 8.985 3.117 1.00 0.00 H new ATOM 0 HA THR A 8 5.317 7.117 4.689 1.00 0.00 H new ATOM 0 HB THR A 8 4.646 8.263 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.029 5.910 6.444 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.317 8.924 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.955 9.769 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.818 8.414 5.506 1.00 0.00 H new ATOM 136 N ILE A 9 3.741 5.379 3.825 1.00 0.00 N ATOM 137 CA ILE A 9 2.919 4.384 3.146 1.00 0.00 C ATOM 138 C ILE A 9 2.258 3.452 4.163 1.00 0.00 C ATOM 139 O ILE A 9 2.939 2.750 4.914 1.00 0.00 O ATOM 140 CB ILE A 9 3.742 3.556 2.132 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.825 2.614 1.342 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.844 2.772 2.833 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.557 3.072 -0.075 1.00 0.00 C ATOM 0 H ILE A 9 4.585 5.003 4.256 1.00 0.00 H new ATOM 0 HA ILE A 9 2.148 4.921 2.594 1.00 0.00 H new ATOM 0 HB ILE A 9 4.215 4.246 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.275 1.622 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.876 2.519 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.407 2.199 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.514 3.464 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.401 2.092 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.902 2.356 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.078 4.051 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.499 3.140 -0.620 1.00 0.00 H new ATOM 155 N ARG A 10 0.928 3.461 4.185 1.00 0.00 N ATOM 156 CA ARG A 10 0.168 2.626 5.110 1.00 0.00 C ATOM 157 C ARG A 10 -0.827 1.750 4.356 1.00 0.00 C ATOM 158 O ARG A 10 -1.859 2.233 3.882 1.00 0.00 O ATOM 159 CB ARG A 10 -0.563 3.503 6.129 1.00 0.00 C ATOM 160 CG ARG A 10 0.351 4.092 7.192 1.00 0.00 C ATOM 161 CD ARG A 10 -0.323 4.117 8.556 1.00 0.00 C ATOM 162 NE ARG A 10 0.282 5.106 9.447 1.00 0.00 N ATOM 163 CZ ARG A 10 0.026 6.417 9.391 1.00 0.00 C ATOM 164 NH1 ARG A 10 -0.816 6.905 8.481 1.00 0.00 N ATOM 165 NH2 ARG A 10 0.621 7.243 10.243 1.00 0.00 N ATOM 0 H ARG A 10 0.353 4.039 3.571 1.00 0.00 H new ATOM 0 HA ARG A 10 0.864 1.974 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.065 4.315 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.338 2.911 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.269 3.507 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.636 5.105 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.383 4.340 8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.256 3.129 9.012 1.00 0.00 H new ATOM 0 HE ARG A 10 0.939 4.776 10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.272 6.277 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.005 7.907 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.272 6.877 10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.428 8.244 10.203 1.00 0.00 H new ATOM 179 N ILE A 11 -0.510 0.460 4.247 1.00 0.00 N ATOM 180 CA ILE A 11 -1.375 -0.491 3.550 1.00 0.00 C ATOM 181 C ILE A 11 -1.979 -1.500 4.525 1.00 0.00 C ATOM 182 O ILE A 11 -1.277 -2.043 5.378 1.00 0.00 O ATOM 183 CB ILE A 11 -0.614 -1.244 2.434 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.674 -1.875 2.981 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.300 -0.296 1.284 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.953 -3.259 2.435 1.00 0.00 C ATOM 0 H ILE A 11 0.340 0.049 4.633 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.177 0.088 3.092 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.250 -2.047 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.516 -1.224 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.609 -1.929 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.236 -0.836 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.229 0.103 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.318 0.525 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.878 -3.641 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.130 -3.925 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.052 -3.209 1.351 1.00 0.00 H new ATOM 198 N LYS A 12 -3.286 -1.738 4.396 1.00 0.00 N ATOM 199 CA LYS A 12 -3.988 -2.675 5.273 1.00 0.00 C ATOM 200 C LYS A 12 -4.583 -3.834 4.481 1.00 0.00 C ATOM 201 O LYS A 12 -5.083 -3.646 3.371 1.00 0.00 O ATOM 202 CB LYS A 12 -5.095 -1.947 6.042 1.00 0.00 C ATOM 203 CG LYS A 12 -4.905 -1.963 7.551 1.00 0.00 C ATOM 204 CD LYS A 12 -4.514 -0.592 8.087 1.00 0.00 C ATOM 205 CE LYS A 12 -3.190 -0.111 7.502 1.00 0.00 C ATOM 206 NZ LYS A 12 -2.197 0.242 8.559 1.00 0.00 N ATOM 0 H LYS A 12 -3.878 -1.295 3.693 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.264 -3.082 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.141 -0.913 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.054 -2.405 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.828 -2.291 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.135 -2.689 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.298 0.127 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.437 -0.635 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.774 -0.889 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.369 0.759 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.181 1.274 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.465 -0.216 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.253 -0.085 8.271 1.00 0.00 H new ATOM 220 N THR A 13 -4.525 -5.037 5.059 1.00 0.00 N ATOM 221 CA THR A 13 -5.059 -6.230 4.404 1.00 0.00 C ATOM 222 C THR A 13 -5.803 -7.117 5.400 1.00 0.00 C ATOM 223 O THR A 13 -5.190 -7.750 6.265 1.00 0.00 O ATOM 224 CB THR A 13 -3.933 -7.028 3.739 1.00 0.00 C ATOM 225 OG1 THR A 13 -3.012 -6.166 3.092 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.432 -8.022 2.711 1.00 0.00 C ATOM 0 H THR A 13 -4.114 -5.208 5.977 1.00 0.00 H new ATOM 0 HA THR A 13 -5.763 -5.902 3.639 1.00 0.00 H new ATOM 0 HB THR A 13 -3.453 -7.575 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.302 -6.699 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.585 -8.554 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.102 -8.736 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.969 -7.493 1.924 1.00 0.00 H new ATOM 234 N GLN A 14 -7.128 -7.170 5.263 1.00 0.00 N ATOM 235 CA GLN A 14 -7.961 -7.988 6.138 1.00 0.00 C ATOM 236 C GLN A 14 -8.747 -9.009 5.325 1.00 0.00 C ATOM 237 O GLN A 14 -9.284 -8.681 4.267 1.00 0.00 O ATOM 238 CB GLN A 14 -8.918 -7.108 6.946 1.00 0.00 C ATOM 239 CG GLN A 14 -8.977 -7.474 8.420 1.00 0.00 C ATOM 240 CD GLN A 14 -9.901 -6.571 9.218 1.00 0.00 C ATOM 241 OE1 GLN A 14 -10.443 -5.594 8.697 1.00 0.00 O ATOM 242 NE2 GLN A 14 -10.084 -6.892 10.493 1.00 0.00 N ATOM 0 H GLN A 14 -7.646 -6.654 4.552 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.309 -8.520 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.611 -6.067 6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.918 -7.186 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.312 -8.507 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.973 -7.422 8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.616 -7.709 10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.692 -6.321 11.080 1.00 0.00 H new ATOM 251 N GLN A 15 -8.807 -10.248 5.812 1.00 0.00 N ATOM 252 CA GLN A 15 -9.524 -11.305 5.103 1.00 0.00 C ATOM 253 C GLN A 15 -10.298 -12.206 6.065 1.00 0.00 C ATOM 254 O GLN A 15 -9.897 -12.388 7.216 1.00 0.00 O ATOM 255 CB GLN A 15 -8.538 -12.138 4.284 1.00 0.00 C ATOM 256 CG GLN A 15 -9.192 -13.000 3.218 1.00 0.00 C ATOM 257 CD GLN A 15 -9.063 -14.479 3.513 1.00 0.00 C ATOM 258 OE1 GLN A 15 -9.449 -14.943 4.584 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.507 -15.226 2.567 1.00 0.00 N ATOM 0 H GLN A 15 -8.372 -10.542 6.686 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.247 -10.833 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.822 -11.469 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.973 -12.780 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.247 -12.738 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.738 -12.784 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.201 -14.798 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.386 -16.228 2.714 1.00 0.00 H new ATOM 268 N HIS A 16 -11.410 -12.771 5.588 1.00 0.00 N ATOM 269 CA HIS A 16 -12.231 -13.655 6.417 1.00 0.00 C ATOM 270 C HIS A 16 -12.899 -14.744 5.579 1.00 0.00 C ATOM 271 O HIS A 16 -13.684 -14.448 4.680 1.00 0.00 O ATOM 272 CB HIS A 16 -13.297 -12.838 7.153 1.00 0.00 C ATOM 273 CG HIS A 16 -14.072 -13.626 8.165 1.00 0.00 C ATOM 274 ND1 HIS A 16 -15.421 -13.442 8.389 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.684 -14.604 9.019 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.826 -14.270 9.334 1.00 0.00 C ATOM 277 NE2 HIS A 16 -14.791 -14.987 9.732 1.00 0.00 N ATOM 0 H HIS A 16 -11.760 -12.633 4.640 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.577 -14.140 7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.816 -11.997 7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.990 -12.421 6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.687 -15.007 9.120 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.833 -14.348 9.717 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.812 -15.709 10.453 1.00 0.00 H new ATOM 286 N ILE A 17 -12.596 -16.007 5.889 1.00 0.00 N ATOM 287 CA ILE A 17 -13.185 -17.134 5.164 1.00 0.00 C ATOM 288 C ILE A 17 -14.247 -17.832 6.009 1.00 0.00 C ATOM 289 O ILE A 17 -13.942 -18.397 7.060 1.00 0.00 O ATOM 290 CB ILE A 17 -12.121 -18.174 4.747 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.876 -17.484 4.185 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.698 -19.147 3.725 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.716 -18.423 3.940 1.00 0.00 C ATOM 0 H ILE A 17 -11.950 -16.273 6.632 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.641 -16.718 4.265 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.828 -18.735 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.137 -16.991 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.560 -16.704 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.935 -19.873 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.551 -19.668 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.021 -18.597 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.871 -17.861 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.427 -18.897 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.013 -19.188 3.223 1.00 0.00 H new ATOM 476 N VAL A 29 -16.964 -19.065 0.895 1.00 0.00 N ATOM 477 CA VAL A 29 -17.055 -17.644 0.581 1.00 0.00 C ATOM 478 C VAL A 29 -16.215 -16.819 1.555 1.00 0.00 C ATOM 479 O VAL A 29 -16.523 -16.754 2.748 1.00 0.00 O ATOM 480 CB VAL A 29 -18.518 -17.149 0.632 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.622 -15.710 0.144 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.427 -18.060 -0.186 1.00 0.00 C ATOM 0 HA VAL A 29 -16.673 -17.513 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.848 -17.181 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.661 -15.385 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.012 -15.066 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.267 -15.648 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.452 -17.692 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.095 -18.068 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.385 -19.072 0.216 1.00 0.00 H new ATOM 492 N ARG A 30 -15.157 -16.192 1.041 1.00 0.00 N ATOM 493 CA ARG A 30 -14.279 -15.371 1.870 1.00 0.00 C ATOM 494 C ARG A 30 -14.441 -13.886 1.549 1.00 0.00 C ATOM 495 O ARG A 30 -14.995 -13.521 0.512 1.00 0.00 O ATOM 496 CB ARG A 30 -12.815 -15.799 1.702 1.00 0.00 C ATOM 497 CG ARG A 30 -12.310 -15.749 0.268 1.00 0.00 C ATOM 498 CD ARG A 30 -10.907 -16.329 0.156 1.00 0.00 C ATOM 499 NE ARG A 30 -10.720 -17.094 -1.076 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.354 -18.238 -1.349 1.00 0.00 C ATOM 501 NH1 ARG A 30 -12.212 -18.760 -0.475 1.00 0.00 N ATOM 502 NH2 ARG A 30 -11.129 -18.860 -2.500 1.00 0.00 N ATOM 0 H ARG A 30 -14.889 -16.237 0.058 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.568 -15.524 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.187 -15.156 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.700 -16.815 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.989 -16.305 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.309 -14.717 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.178 -15.520 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.713 -16.973 1.014 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.065 -16.732 -1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.389 -18.286 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.692 -19.634 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.473 -18.464 -3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.612 -19.733 -2.711 1.00 0.00 H new ATOM 516 N GLN A 31 -13.959 -13.034 2.453 1.00 0.00 N ATOM 517 CA GLN A 31 -14.051 -11.588 2.283 1.00 0.00 C ATOM 518 C GLN A 31 -12.717 -10.925 2.605 1.00 0.00 C ATOM 519 O GLN A 31 -12.284 -10.903 3.758 1.00 0.00 O ATOM 520 CB GLN A 31 -15.151 -11.019 3.183 1.00 0.00 C ATOM 521 CG GLN A 31 -16.337 -10.454 2.418 1.00 0.00 C ATOM 522 CD GLN A 31 -17.148 -9.465 3.237 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.294 -8.303 2.860 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.684 -9.923 4.364 1.00 0.00 N ATOM 0 H GLN A 31 -13.498 -13.325 3.315 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.301 -11.378 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.503 -11.804 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.726 -10.234 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.979 -9.962 1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.983 -11.273 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.538 -10.894 4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.241 -9.303 4.953 1.00 0.00 H new ATOM 533 N TRP A 32 -12.068 -10.394 1.574 1.00 0.00 N ATOM 534 CA TRP A 32 -10.774 -9.731 1.728 1.00 0.00 C ATOM 535 C TRP A 32 -10.864 -8.248 1.371 1.00 0.00 C ATOM 536 O TRP A 32 -11.677 -7.848 0.539 1.00 0.00 O ATOM 537 CB TRP A 32 -9.714 -10.420 0.858 1.00 0.00 C ATOM 538 CG TRP A 32 -10.073 -10.480 -0.599 1.00 0.00 C ATOM 539 CD1 TRP A 32 -10.995 -11.301 -1.184 1.00 0.00 C ATOM 540 CD2 TRP A 32 -9.515 -9.687 -1.653 1.00 0.00 C ATOM 541 NE1 TRP A 32 -11.047 -11.063 -2.537 1.00 0.00 N ATOM 542 CE2 TRP A 32 -10.144 -10.081 -2.849 1.00 0.00 C ATOM 543 CE3 TRP A 32 -8.544 -8.684 -1.701 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -9.834 -9.504 -4.078 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -8.235 -8.113 -2.923 1.00 0.00 C ATOM 546 CH2 TRP A 32 -8.880 -8.524 -4.096 1.00 0.00 C ATOM 0 H TRP A 32 -12.418 -10.409 0.616 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.481 -9.810 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.767 -9.891 0.968 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.558 -11.434 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.595 -12.030 -0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -11.658 -11.540 -3.200 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.043 -8.360 -0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.329 -9.819 -4.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.484 -7.338 -2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.619 -8.058 -5.034 1.00 0.00 H new ATOM 557 N SER A 33 -10.021 -7.438 2.011 1.00 0.00 N ATOM 558 CA SER A 33 -10.000 -5.996 1.769 1.00 0.00 C ATOM 559 C SER A 33 -8.567 -5.468 1.748 1.00 0.00 C ATOM 560 O SER A 33 -7.698 -5.978 2.459 1.00 0.00 O ATOM 561 CB SER A 33 -10.807 -5.264 2.844 1.00 0.00 C ATOM 562 OG SER A 33 -11.976 -5.986 3.195 1.00 0.00 O ATOM 0 H SER A 33 -9.342 -7.757 2.702 1.00 0.00 H new ATOM 0 HA SER A 33 -10.452 -5.811 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.188 -5.118 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.084 -4.274 2.482 1.00 0.00 H new ATOM 0 HG SER A 33 -12.469 -5.494 3.884 1.00 0.00 H new ATOM 568 N ILE A 34 -8.331 -4.442 0.929 1.00 0.00 N ATOM 569 CA ILE A 34 -7.005 -3.843 0.812 1.00 0.00 C ATOM 570 C ILE A 34 -7.091 -2.339 0.548 1.00 0.00 C ATOM 571 O ILE A 34 -7.879 -1.888 -0.287 1.00 0.00 O ATOM 572 CB ILE A 34 -6.180 -4.509 -0.314 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.756 -3.941 -0.347 1.00 0.00 C ATOM 574 CG2 ILE A 34 -6.863 -4.321 -1.662 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.858 -4.500 0.735 1.00 0.00 C ATOM 0 H ILE A 34 -9.042 -4.010 0.338 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.504 -4.009 1.766 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.118 -5.577 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.312 -4.150 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.803 -2.857 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.267 -4.796 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.853 -4.775 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.958 -3.257 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.867 -4.054 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.279 -4.268 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.780 -5.581 0.621 1.00 0.00 H new ATOM 587 N GLU A 35 -6.267 -1.569 1.260 1.00 0.00 N ATOM 588 CA GLU A 35 -6.240 -0.117 1.097 1.00 0.00 C ATOM 589 C GLU A 35 -4.801 0.395 1.023 1.00 0.00 C ATOM 590 O GLU A 35 -3.905 -0.137 1.684 1.00 0.00 O ATOM 591 CB GLU A 35 -6.989 0.567 2.243 1.00 0.00 C ATOM 592 CG GLU A 35 -6.459 0.212 3.624 1.00 0.00 C ATOM 593 CD GLU A 35 -7.416 -0.661 4.414 1.00 0.00 C ATOM 594 OE1 GLU A 35 -7.741 -1.772 3.939 1.00 0.00 O ATOM 595 OE2 GLU A 35 -7.836 -0.237 5.511 1.00 0.00 O ATOM 0 H GLU A 35 -5.611 -1.927 1.954 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.740 0.128 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.931 1.647 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.043 0.296 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.505 -0.304 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.266 1.129 4.181 1.00 0.00 H new ATOM 602 N ILE A 36 -4.592 1.426 0.206 1.00 0.00 N ATOM 603 CA ILE A 36 -3.273 2.021 0.017 1.00 0.00 C ATOM 604 C ILE A 36 -3.286 3.504 0.387 1.00 0.00 C ATOM 605 O ILE A 36 -3.840 4.326 -0.343 1.00 0.00 O ATOM 606 CB ILE A 36 -2.798 1.867 -1.445 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.936 0.412 -1.908 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.360 2.342 -1.595 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.292 0.086 -2.500 1.00 0.00 C ATOM 0 H ILE A 36 -5.330 1.870 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.582 1.492 0.674 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.432 2.489 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.166 0.202 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.751 -0.248 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.045 2.225 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.292 3.392 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.712 1.749 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.314 -0.960 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.067 0.263 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.472 0.720 -3.368 1.00 0.00 H new ATOM 621 N VAL A 37 -2.678 3.840 1.524 1.00 0.00 N ATOM 622 CA VAL A 37 -2.628 5.225 1.991 1.00 0.00 C ATOM 623 C VAL A 37 -1.223 5.810 1.841 1.00 0.00 C ATOM 624 O VAL A 37 -0.229 5.138 2.127 1.00 0.00 O ATOM 625 CB VAL A 37 -3.066 5.331 3.466 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.177 6.788 3.897 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.384 4.601 3.694 1.00 0.00 C ATOM 0 H VAL A 37 -2.213 3.172 2.139 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.319 5.796 1.371 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.301 4.853 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.487 6.836 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.209 7.276 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.914 7.296 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.673 4.690 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.158 5.042 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.266 3.548 3.438 1.00 0.00 H new ATOM 637 N LEU A 38 -1.151 7.066 1.392 1.00 0.00 N ATOM 638 CA LEU A 38 0.130 7.748 1.201 1.00 0.00 C ATOM 639 C LEU A 38 -0.059 9.257 1.012 1.00 0.00 C ATOM 640 O LEU A 38 -1.149 9.717 0.664 1.00 0.00 O ATOM 641 CB LEU A 38 0.862 7.162 -0.008 1.00 0.00 C ATOM 642 CG LEU A 38 0.048 7.133 -1.307 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.823 7.783 -2.443 1.00 0.00 C ATOM 644 CD2 LEU A 38 -0.337 5.704 -1.663 1.00 0.00 C ATOM 0 H LEU A 38 -1.966 7.631 1.154 1.00 0.00 H new ATOM 0 HA LEU A 38 0.727 7.592 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.770 7.740 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.172 6.145 0.232 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.867 7.705 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.227 7.751 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.041 8.820 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.757 7.244 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.914 5.702 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.565 5.107 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.938 5.278 -0.859 1.00 0.00 H new ATOM 656 N LEU A 39 1.016 10.018 1.240 1.00 0.00 N ATOM 657 CA LEU A 39 0.982 11.474 1.093 1.00 0.00 C ATOM 658 C LEU A 39 1.696 11.910 -0.189 1.00 0.00 C ATOM 659 O LEU A 39 2.480 11.151 -0.761 1.00 0.00 O ATOM 660 CB LEU A 39 1.629 12.146 2.312 1.00 0.00 C ATOM 661 CG LEU A 39 0.673 12.455 3.470 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.060 11.195 3.908 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.431 13.066 4.643 1.00 0.00 C ATOM 0 H LEU A 39 1.922 9.648 1.528 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.061 11.785 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.426 11.501 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.096 13.076 1.989 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.064 13.179 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.734 11.434 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.635 10.799 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.663 10.449 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.735 13.278 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.191 12.365 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.910 13.992 4.324 1.00 0.00 H new ATOM 675 N ASP A 40 1.420 13.141 -0.632 1.00 0.00 N ATOM 676 CA ASP A 40 2.035 13.682 -1.844 1.00 0.00 C ATOM 677 C ASP A 40 2.139 15.202 -1.763 1.00 0.00 C ATOM 678 O ASP A 40 3.240 15.758 -1.756 1.00 0.00 O ATOM 679 CB ASP A 40 1.222 13.281 -3.082 1.00 0.00 C ATOM 680 CG ASP A 40 1.583 11.902 -3.599 1.00 0.00 C ATOM 681 OD1 ASP A 40 2.658 11.764 -4.222 1.00 0.00 O ATOM 682 OD2 ASP A 40 0.794 10.960 -3.382 1.00 0.00 O ATOM 0 H ASP A 40 0.774 13.780 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 40 3.039 13.266 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.160 13.306 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.385 14.015 -3.872 1.00 0.00 H new ATOM 687 N ASP A 41 0.986 15.868 -1.692 1.00 0.00 N ATOM 688 CA ASP A 41 0.934 17.328 -1.604 1.00 0.00 C ATOM 689 C ASP A 41 1.527 17.833 -0.284 1.00 0.00 C ATOM 690 O ASP A 41 1.901 19.002 -0.175 1.00 0.00 O ATOM 691 CB ASP A 41 -0.511 17.823 -1.741 1.00 0.00 C ATOM 692 CG ASP A 41 -1.256 17.151 -2.880 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.059 17.556 -4.040 1.00 0.00 O ATOM 694 OD2 ASP A 41 -2.035 16.218 -2.609 1.00 0.00 O ATOM 0 H ASP A 41 0.071 15.417 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 41 1.533 17.726 -2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.043 17.641 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.508 18.901 -1.901 1.00 0.00 H new ATOM 699 N GLU A 42 1.614 16.949 0.713 1.00 0.00 N ATOM 700 CA GLU A 42 2.163 17.315 2.014 1.00 0.00 C ATOM 701 C GLU A 42 3.682 17.159 2.036 1.00 0.00 C ATOM 702 O GLU A 42 4.378 17.917 2.716 1.00 0.00 O ATOM 703 CB GLU A 42 1.531 16.465 3.120 1.00 0.00 C ATOM 704 CG GLU A 42 0.018 16.595 3.196 1.00 0.00 C ATOM 705 CD GLU A 42 -0.427 17.996 3.571 1.00 0.00 C ATOM 706 OE1 GLU A 42 -0.474 18.865 2.674 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.727 18.226 4.761 1.00 0.00 O ATOM 0 H GLU A 42 1.311 15.978 0.641 1.00 0.00 H new ATOM 0 HA GLU A 42 1.926 18.364 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.790 15.419 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.961 16.753 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.415 16.325 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.368 15.886 3.929 1.00 0.00 H new ATOM 714 N GLY A 43 4.193 16.180 1.289 1.00 0.00 N ATOM 715 CA GLY A 43 5.624 15.954 1.242 1.00 0.00 C ATOM 716 C GLY A 43 6.190 16.103 -0.154 1.00 0.00 C ATOM 717 O GLY A 43 6.947 15.250 -0.615 1.00 0.00 O ATOM 0 H GLY A 43 3.639 15.542 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.122 16.658 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.843 14.953 1.614 1.00 0.00 H new ATOM 721 N LYS A 44 5.819 17.197 -0.823 1.00 0.00 N ATOM 722 CA LYS A 44 6.284 17.481 -2.177 1.00 0.00 C ATOM 723 C LYS A 44 5.762 16.445 -3.172 1.00 0.00 C ATOM 724 O LYS A 44 6.228 15.303 -3.203 1.00 0.00 O ATOM 725 CB LYS A 44 7.812 17.539 -2.221 1.00 0.00 C ATOM 726 CG LYS A 44 8.352 18.913 -2.582 1.00 0.00 C ATOM 727 CD LYS A 44 9.424 18.832 -3.658 1.00 0.00 C ATOM 728 CE LYS A 44 10.805 18.611 -3.056 1.00 0.00 C ATOM 729 NZ LYS A 44 10.939 17.260 -2.441 1.00 0.00 N ATOM 0 H LYS A 44 5.192 17.905 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 44 5.889 18.455 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.208 17.245 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.175 16.811 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.535 19.545 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.765 19.387 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.191 18.018 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.424 19.752 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.562 18.733 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.997 19.373 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.943 17.060 -2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.412 17.233 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.556 16.544 -3.090 1.00 0.00 H new ATOM 743 N GLU A 45 4.790 16.856 -3.986 1.00 0.00 N ATOM 744 CA GLU A 45 4.197 15.969 -4.987 1.00 0.00 C ATOM 745 C GLU A 45 4.965 16.010 -6.317 1.00 0.00 C ATOM 746 O GLU A 45 4.450 15.575 -7.348 1.00 0.00 O ATOM 747 CB GLU A 45 2.727 16.347 -5.219 1.00 0.00 C ATOM 748 CG GLU A 45 2.523 17.782 -5.690 1.00 0.00 C ATOM 749 CD GLU A 45 1.158 18.016 -6.321 1.00 0.00 C ATOM 750 OE1 GLU A 45 0.647 17.100 -7.002 1.00 0.00 O ATOM 751 OE2 GLU A 45 0.604 19.121 -6.138 1.00 0.00 O ATOM 0 H GLU A 45 4.397 17.797 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 45 4.257 14.951 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.300 15.669 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.173 16.197 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.645 18.457 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.299 18.034 -6.413 1.00 0.00 H new ATOM 758 N ILE A 46 6.195 16.535 -6.295 1.00 0.00 N ATOM 759 CA ILE A 46 7.008 16.626 -7.502 1.00 0.00 C ATOM 760 C ILE A 46 8.372 15.961 -7.308 1.00 0.00 C ATOM 761 O ILE A 46 9.254 16.520 -6.649 1.00 0.00 O ATOM 762 CB ILE A 46 7.218 18.097 -7.927 1.00 0.00 C ATOM 763 CG1 ILE A 46 5.876 18.841 -7.996 1.00 0.00 C ATOM 764 CG2 ILE A 46 7.935 18.165 -9.268 1.00 0.00 C ATOM 765 CD1 ILE A 46 5.923 20.227 -7.391 1.00 0.00 C ATOM 0 H ILE A 46 6.644 16.901 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 46 6.465 16.100 -8.287 1.00 0.00 H new ATOM 0 HB ILE A 46 7.839 18.585 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.566 18.918 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.117 18.253 -7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.075 19.208 -9.553 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.906 17.677 -9.186 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.337 17.659 -10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.942 20.694 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.203 20.156 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.658 20.831 -7.922 1.00 0.00 H new ATOM 777 N PRO A 47 8.566 14.754 -7.883 1.00 0.00 N ATOM 778 CA PRO A 47 9.833 14.015 -7.776 1.00 0.00 C ATOM 779 C PRO A 47 10.930 14.598 -8.670 1.00 0.00 C ATOM 780 O PRO A 47 10.768 15.677 -9.246 1.00 0.00 O ATOM 781 CB PRO A 47 9.453 12.607 -8.240 1.00 0.00 C ATOM 782 CG PRO A 47 8.324 12.817 -9.187 1.00 0.00 C ATOM 783 CD PRO A 47 7.565 14.016 -8.683 1.00 0.00 C ATOM 0 HA PRO A 47 10.246 14.053 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.292 12.110 -8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.155 11.980 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.692 12.987 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.681 11.938 -9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.183 14.622 -9.504 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.707 13.722 -8.078 1.00 0.00 H new ATOM 791 N ALA A 48 12.046 13.874 -8.782 1.00 0.00 N ATOM 792 CA ALA A 48 13.175 14.315 -9.604 1.00 0.00 C ATOM 793 C ALA A 48 14.057 13.142 -10.038 1.00 0.00 C ATOM 794 O ALA A 48 14.441 13.047 -11.203 1.00 0.00 O ATOM 795 CB ALA A 48 14.003 15.346 -8.849 1.00 0.00 C ATOM 0 H ALA A 48 12.192 12.980 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 48 12.768 14.771 -10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.839 15.666 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.380 16.207 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.383 14.904 -7.928 1.00 0.00 H new ATOM 801 N THR A 49 14.379 12.256 -9.094 1.00 0.00 N ATOM 802 CA THR A 49 15.221 11.094 -9.380 1.00 0.00 C ATOM 803 C THR A 49 14.365 9.874 -9.719 1.00 0.00 C ATOM 804 O THR A 49 14.362 9.411 -10.860 1.00 0.00 O ATOM 805 CB THR A 49 16.143 10.784 -8.191 1.00 0.00 C ATOM 806 OG1 THR A 49 16.342 11.936 -7.388 1.00 0.00 O ATOM 807 CG2 THR A 49 17.508 10.277 -8.606 1.00 0.00 C ATOM 0 H THR A 49 14.069 12.321 -8.124 1.00 0.00 H new ATOM 0 HA THR A 49 15.840 11.332 -10.245 1.00 0.00 H new ATOM 0 HB THR A 49 15.632 9.999 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.931 11.713 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.108 10.078 -7.718 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.395 9.358 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.005 11.030 -9.218 1.00 0.00 H new ATOM 815 N ILE A 50 13.631 9.360 -8.729 1.00 0.00 N ATOM 816 CA ILE A 50 12.769 8.202 -8.942 1.00 0.00 C ATOM 817 C ILE A 50 11.380 8.431 -8.335 1.00 0.00 C ATOM 818 O ILE A 50 10.487 8.925 -9.022 1.00 0.00 O ATOM 819 CB ILE A 50 13.388 6.899 -8.379 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.754 6.639 -9.020 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.453 5.718 -8.621 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.922 7.092 -8.170 1.00 0.00 C ATOM 0 H ILE A 50 13.618 9.727 -7.778 1.00 0.00 H new ATOM 0 HA ILE A 50 12.668 8.081 -10.021 1.00 0.00 H new ATOM 0 HB ILE A 50 13.526 7.016 -7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.854 5.572 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.797 7.149 -9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.903 4.810 -8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.500 5.901 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.288 5.598 -9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.856 6.875 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.847 8.165 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.905 6.563 -7.217 1.00 0.00 H new ATOM 834 N PHE A 51 11.203 8.072 -7.055 1.00 0.00 N ATOM 835 CA PHE A 51 9.918 8.238 -6.373 1.00 0.00 C ATOM 836 C PHE A 51 8.815 7.470 -7.097 1.00 0.00 C ATOM 837 O PHE A 51 8.279 7.925 -8.110 1.00 0.00 O ATOM 838 CB PHE A 51 9.553 9.721 -6.257 1.00 0.00 C ATOM 839 CG PHE A 51 8.206 9.962 -5.629 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.916 9.480 -4.360 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.226 10.663 -6.312 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.675 9.695 -3.787 1.00 0.00 C ATOM 843 CE2 PHE A 51 5.986 10.881 -5.745 1.00 0.00 C ATOM 844 CZ PHE A 51 5.711 10.397 -4.482 1.00 0.00 C ATOM 0 H PHE A 51 11.936 7.665 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 51 10.015 7.829 -5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.316 10.229 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.567 10.169 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.668 8.931 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.434 11.044 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.461 9.315 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.232 11.430 -6.289 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.742 10.568 -4.038 1.00 0.00 H new ATOM 854 N ASP A 52 8.485 6.297 -6.569 1.00 0.00 N ATOM 855 CA ASP A 52 7.454 5.452 -7.159 1.00 0.00 C ATOM 856 C ASP A 52 6.926 4.451 -6.141 1.00 0.00 C ATOM 857 O ASP A 52 7.633 3.521 -5.749 1.00 0.00 O ATOM 858 CB ASP A 52 8.007 4.708 -8.380 1.00 0.00 C ATOM 859 CG ASP A 52 7.042 4.716 -9.552 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.465 5.787 -9.840 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.865 3.650 -10.183 1.00 0.00 O ATOM 0 H ASP A 52 8.918 5.909 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 52 6.632 6.094 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.948 5.166 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.229 3.677 -8.103 1.00 0.00 H new ATOM 866 N LYS A 53 5.680 4.641 -5.714 1.00 0.00 N ATOM 867 CA LYS A 53 5.071 3.742 -4.742 1.00 0.00 C ATOM 868 C LYS A 53 4.139 2.757 -5.441 1.00 0.00 C ATOM 869 O LYS A 53 3.023 3.109 -5.819 1.00 0.00 O ATOM 870 CB LYS A 53 4.310 4.533 -3.674 1.00 0.00 C ATOM 871 CG LYS A 53 5.083 5.717 -3.111 1.00 0.00 C ATOM 872 CD LYS A 53 4.169 6.904 -2.831 1.00 0.00 C ATOM 873 CE LYS A 53 4.199 7.307 -1.362 1.00 0.00 C ATOM 874 NZ LYS A 53 5.590 7.507 -0.859 1.00 0.00 N ATOM 0 H LYS A 53 5.078 5.404 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 53 5.865 3.181 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.374 4.894 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.049 3.861 -2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.585 5.419 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.859 6.014 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.474 7.750 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.148 6.652 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.631 8.227 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.706 6.539 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.609 8.314 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.906 6.649 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.225 7.698 -1.660 1.00 0.00 H new ATOM 888 N VAL A 54 4.605 1.524 -5.616 1.00 0.00 N ATOM 889 CA VAL A 54 3.814 0.491 -6.276 1.00 0.00 C ATOM 890 C VAL A 54 3.239 -0.500 -5.265 1.00 0.00 C ATOM 891 O VAL A 54 3.910 -0.883 -4.304 1.00 0.00 O ATOM 892 CB VAL A 54 4.642 -0.265 -7.338 1.00 0.00 C ATOM 893 CG1 VAL A 54 5.842 -0.957 -6.705 1.00 0.00 C ATOM 894 CG2 VAL A 54 3.774 -1.265 -8.089 1.00 0.00 C ATOM 0 H VAL A 54 5.528 1.216 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 54 2.989 0.997 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 54 5.016 0.466 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.407 -1.482 -7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.481 -0.214 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.497 -1.672 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.378 -1.786 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.361 -1.988 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.961 -0.738 -8.588 1.00 0.00 H new ATOM 904 N ILE A 55 1.987 -0.898 -5.483 1.00 0.00 N ATOM 905 CA ILE A 55 1.305 -1.830 -4.590 1.00 0.00 C ATOM 906 C ILE A 55 0.651 -2.974 -5.369 1.00 0.00 C ATOM 907 O ILE A 55 0.157 -2.782 -6.480 1.00 0.00 O ATOM 908 CB ILE A 55 0.231 -1.105 -3.750 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.811 0.172 -3.132 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.315 -2.026 -2.666 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.723 1.380 -4.041 1.00 0.00 C ATOM 0 H ILE A 55 1.423 -0.587 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 55 2.061 -2.246 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.593 -0.828 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.284 0.388 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.855 -0.002 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.070 -1.497 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.763 -2.906 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.497 -2.335 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.152 2.246 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.275 1.184 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.321 1.580 -4.280 1.00 0.00 H new ATOM 923 N TYR A 56 0.652 -4.163 -4.775 1.00 0.00 N ATOM 924 CA TYR A 56 0.058 -5.336 -5.407 1.00 0.00 C ATOM 925 C TYR A 56 -0.711 -6.172 -4.390 1.00 0.00 C ATOM 926 O TYR A 56 -0.349 -6.219 -3.213 1.00 0.00 O ATOM 927 CB TYR A 56 1.141 -6.190 -6.073 1.00 0.00 C ATOM 928 CG TYR A 56 0.692 -6.854 -7.357 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.266 -6.097 -8.441 1.00 0.00 C ATOM 930 CD2 TYR A 56 0.701 -8.237 -7.483 1.00 0.00 C ATOM 931 CE1 TYR A 56 -0.142 -6.701 -9.617 1.00 0.00 C ATOM 932 CE2 TYR A 56 0.297 -8.847 -8.654 1.00 0.00 C ATOM 933 CZ TYR A 56 -0.124 -8.076 -9.718 1.00 0.00 C ATOM 934 OH TYR A 56 -0.527 -8.682 -10.889 1.00 0.00 O ATOM 0 H TYR A 56 1.058 -4.340 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.640 -4.990 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.007 -5.563 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.467 -6.959 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.253 -5.020 -8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.029 -8.845 -6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.473 -6.099 -10.451 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.310 -9.924 -8.737 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.453 -9.655 -10.796 1.00 0.00 H new ATOM 944 N HIS A 57 -1.775 -6.822 -4.855 1.00 0.00 N ATOM 945 CA HIS A 57 -2.608 -7.657 -3.992 1.00 0.00 C ATOM 946 C HIS A 57 -3.445 -8.630 -4.826 1.00 0.00 C ATOM 947 O HIS A 57 -4.677 -8.612 -4.774 1.00 0.00 O ATOM 948 CB HIS A 57 -3.519 -6.776 -3.125 1.00 0.00 C ATOM 949 CG HIS A 57 -4.326 -5.781 -3.908 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.883 -4.505 -4.190 1.00 0.00 N ATOM 951 CD2 HIS A 57 -5.552 -5.885 -4.475 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.802 -3.869 -4.893 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.824 -4.684 -5.081 1.00 0.00 N ATOM 0 H HIS A 57 -2.082 -6.787 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.957 -8.239 -3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.197 -7.416 -2.561 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.907 -6.242 -2.398 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.196 -6.752 -4.454 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.730 -2.853 -5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.677 -4.458 -5.593 1.00 0.00 H new ATOM 962 N LEU A 58 -2.768 -9.477 -5.604 1.00 0.00 N ATOM 963 CA LEU A 58 -3.456 -10.448 -6.455 1.00 0.00 C ATOM 964 C LEU A 58 -2.461 -11.327 -7.214 1.00 0.00 C ATOM 965 O LEU A 58 -1.249 -11.116 -7.142 1.00 0.00 O ATOM 966 CB LEU A 58 -4.365 -9.723 -7.457 1.00 0.00 C ATOM 967 CG LEU A 58 -3.681 -8.619 -8.272 1.00 0.00 C ATOM 968 CD1 LEU A 58 -4.002 -8.769 -9.750 1.00 0.00 C ATOM 969 CD2 LEU A 58 -4.097 -7.244 -7.770 1.00 0.00 C ATOM 0 H LEU A 58 -1.750 -9.510 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.058 -11.087 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.780 -10.458 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.203 -9.286 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.603 -8.717 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.508 -7.977 -10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.649 -9.738 -10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.080 -8.700 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.600 -6.475 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.177 -7.134 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.812 -7.137 -6.723 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.437 -4.083 -11.300 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.220 -3.564 -10.665 1.00 0.00 C ATOM 1073 C PRO A 65 -2.442 -2.213 -9.985 1.00 0.00 C ATOM 1074 O PRO A 65 -3.147 -1.352 -10.512 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.258 -3.421 -11.842 1.00 0.00 C ATOM 1076 CG PRO A 65 -2.138 -3.142 -13.010 1.00 0.00 C ATOM 1077 CD PRO A 65 -3.413 -3.904 -12.766 1.00 0.00 C ATOM 0 HA PRO A 65 -1.859 -4.217 -9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.547 -2.611 -11.678 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.676 -4.330 -11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.334 -2.074 -13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.665 -3.461 -13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.284 -3.350 -13.116 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.413 -4.862 -13.287 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.827 -2.035 -8.815 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.952 -0.786 -8.065 1.00 0.00 C ATOM 1087 C ASN A 66 -0.635 -0.014 -8.079 1.00 0.00 C ATOM 1088 O ASN A 66 0.423 -0.562 -7.765 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.388 -1.069 -6.625 1.00 0.00 C ATOM 1090 CG ASN A 66 -2.971 0.156 -5.944 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -2.360 0.727 -5.043 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.159 0.565 -6.373 1.00 0.00 N ATOM 0 H ASN A 66 -1.239 -2.738 -8.368 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.714 -0.173 -8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.128 -1.869 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.532 -1.426 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.599 1.383 -5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.631 0.061 -7.124 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.702 1.260 -8.449 1.00 0.00 N ATOM 1100 CA ARG A 67 0.488 2.103 -8.506 1.00 0.00 C ATOM 1101 C ARG A 67 0.163 3.534 -8.099 1.00 0.00 C ATOM 1102 O ARG A 67 -0.882 4.070 -8.471 1.00 0.00 O ATOM 1103 CB ARG A 67 1.089 2.086 -9.911 1.00 0.00 C ATOM 1104 CG ARG A 67 2.046 0.932 -10.146 1.00 0.00 C ATOM 1105 CD ARG A 67 2.392 0.785 -11.617 1.00 0.00 C ATOM 1106 NE ARG A 67 3.398 -0.251 -11.841 1.00 0.00 N ATOM 1107 CZ ARG A 67 4.023 -0.448 -13.003 1.00 0.00 C ATOM 1108 NH1 ARG A 67 3.749 0.317 -14.057 1.00 0.00 N ATOM 1109 NH2 ARG A 67 4.925 -1.414 -13.110 1.00 0.00 N ATOM 0 H ARG A 67 -1.567 1.732 -8.714 1.00 0.00 H new ATOM 0 HA ARG A 67 1.217 1.700 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.282 2.033 -10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.615 3.025 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.958 1.092 -9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.598 0.007 -9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.490 0.542 -12.179 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.760 1.737 -12.000 1.00 0.00 H new ATOM 0 HE ARG A 67 3.637 -0.862 -11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.056 1.062 -13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.232 0.159 -14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.139 -2.003 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.405 -1.568 -13.997 1.00 0.00 H new ATOM 1123 N THR A 68 1.064 4.147 -7.334 1.00 0.00 N ATOM 1124 CA THR A 68 0.871 5.516 -6.876 1.00 0.00 C ATOM 1125 C THR A 68 2.043 6.402 -7.285 1.00 0.00 C ATOM 1126 O THR A 68 3.126 6.342 -6.694 1.00 0.00 O ATOM 1127 CB THR A 68 0.680 5.568 -5.355 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.921 4.306 -4.761 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.710 5.998 -4.945 1.00 0.00 C ATOM 0 H THR A 68 1.933 3.716 -7.020 1.00 0.00 H new ATOM 0 HA THR A 68 -0.033 5.895 -7.352 1.00 0.00 H new ATOM 0 HB THR A 68 1.401 6.308 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.803 3.978 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.780 6.014 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.913 6.995 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.441 5.295 -5.345 1.00 0.00 H new ATOM 1137 N PHE A 69 1.806 7.229 -8.301 1.00 0.00 N ATOM 1138 CA PHE A 69 2.819 8.151 -8.806 1.00 0.00 C ATOM 1139 C PHE A 69 2.544 9.565 -8.295 1.00 0.00 C ATOM 1140 O PHE A 69 3.465 10.287 -7.909 1.00 0.00 O ATOM 1141 CB PHE A 69 2.826 8.152 -10.339 1.00 0.00 C ATOM 1142 CG PHE A 69 3.452 6.928 -10.955 1.00 0.00 C ATOM 1143 CD1 PHE A 69 3.064 5.654 -10.563 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.427 7.054 -11.930 1.00 0.00 C ATOM 1145 CE1 PHE A 69 3.638 4.534 -11.135 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.003 5.939 -12.505 1.00 0.00 C ATOM 1147 CZ PHE A 69 4.609 4.677 -12.106 1.00 0.00 C ATOM 0 H PHE A 69 0.914 7.279 -8.793 1.00 0.00 H new ATOM 0 HA PHE A 69 3.794 7.821 -8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.800 8.240 -10.696 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.362 9.035 -10.688 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.306 5.537 -9.803 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.741 8.038 -12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.327 3.548 -10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.761 6.053 -13.266 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.060 3.803 -12.553 1.00 0.00 H new ATOM 1157 N THR A 70 1.263 9.948 -8.297 1.00 0.00 N ATOM 1158 CA THR A 70 0.837 11.269 -7.838 1.00 0.00 C ATOM 1159 C THR A 70 -0.695 11.335 -7.736 1.00 0.00 C ATOM 1160 O THR A 70 -1.317 12.318 -8.149 1.00 0.00 O ATOM 1161 CB THR A 70 1.369 12.351 -8.795 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.940 13.643 -8.393 1.00 0.00 O ATOM 1163 CG2 THR A 70 0.943 12.149 -10.236 1.00 0.00 C ATOM 0 H THR A 70 0.498 9.353 -8.615 1.00 0.00 H new ATOM 0 HA THR A 70 1.248 11.449 -6.845 1.00 0.00 H new ATOM 0 HB THR A 70 2.454 12.264 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.037 13.656 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.354 12.948 -10.852 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.313 11.188 -10.594 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.145 12.165 -10.299 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.296 10.277 -7.190 1.00 0.00 N ATOM 1172 CA ASP A 71 -2.749 10.203 -7.040 1.00 0.00 C ATOM 1173 C ASP A 71 -3.144 9.952 -5.582 1.00 0.00 C ATOM 1174 O ASP A 71 -2.301 9.588 -4.757 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.308 9.088 -7.934 1.00 0.00 C ATOM 1176 CG ASP A 71 -3.913 9.613 -9.223 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.299 10.501 -9.853 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.000 9.132 -9.606 1.00 0.00 O ATOM 0 H ASP A 71 -0.797 9.458 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.172 11.160 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.509 8.386 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.066 8.533 -7.382 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.440 10.144 -5.247 1.00 0.00 N ATOM 1184 CA PRO A 72 -4.953 9.935 -3.882 1.00 0.00 C ATOM 1185 C PRO A 72 -4.836 8.475 -3.430 1.00 0.00 C ATOM 1186 O PRO A 72 -4.489 7.598 -4.224 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.429 10.348 -3.982 1.00 0.00 C ATOM 1188 CG PRO A 72 -6.764 10.234 -5.428 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.505 10.579 -6.169 1.00 0.00 C ATOM 0 HA PRO A 72 -4.387 10.507 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.062 9.698 -3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.579 11.365 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.098 9.226 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.574 10.912 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.446 10.060 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.443 11.646 -6.381 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.131 8.195 -2.141 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.062 6.833 -1.585 1.00 0.00 C ATOM 1199 C PRO A 73 -6.052 5.874 -2.252 1.00 0.00 C ATOM 1200 O PRO A 73 -6.789 6.261 -3.163 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.419 7.026 -0.106 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.155 8.320 -0.053 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.555 9.179 -1.129 1.00 0.00 C ATOM 0 HA PRO A 73 -4.082 6.384 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.036 6.206 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.524 7.055 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.221 8.170 -0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.050 8.789 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.280 9.886 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.713 9.763 -0.757 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.067 4.622 -1.791 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.964 3.613 -2.342 1.00 0.00 C ATOM 1213 C PHE A 74 -7.520 2.719 -1.239 1.00 0.00 C ATOM 1214 O PHE A 74 -6.947 2.635 -0.153 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.231 2.762 -3.382 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.421 3.242 -4.794 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.664 3.171 -5.403 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.356 3.763 -5.510 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.840 3.611 -6.700 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.526 4.204 -6.808 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.769 4.127 -7.404 1.00 0.00 C ATOM 0 H PHE A 74 -5.467 4.286 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.796 4.127 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.166 2.756 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.579 1.732 -3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.504 2.767 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.382 3.825 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.814 3.552 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.688 4.608 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.904 4.470 -8.419 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.642 2.061 -1.521 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.282 1.183 -0.552 1.00 0.00 C ATOM 1233 C ARG A 75 -10.466 0.439 -1.180 1.00 0.00 C ATOM 1234 O ARG A 75 -11.462 1.052 -1.572 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.726 1.992 0.673 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.871 2.969 0.414 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.506 4.004 -0.642 1.00 0.00 C ATOM 1238 NE ARG A 75 -11.446 5.124 -0.665 1.00 0.00 N ATOM 1239 CZ ARG A 75 -12.623 5.100 -1.299 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -13.025 4.001 -1.937 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -13.404 6.175 -1.288 1.00 0.00 N ATOM 0 H ARG A 75 -9.126 2.121 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.559 0.433 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.029 1.299 1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.870 2.550 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.754 2.417 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.134 3.475 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.501 4.379 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.486 3.529 -1.623 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.188 5.976 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.433 3.170 -1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.924 3.991 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.105 7.017 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.302 6.158 -1.771 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.337 -0.886 -1.289 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.385 -1.718 -1.881 1.00 0.00 C ATOM 1257 C ILE A 76 -11.506 -3.059 -1.153 1.00 0.00 C ATOM 1258 O ILE A 76 -10.527 -3.571 -0.605 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.117 -1.991 -3.382 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.772 -0.693 -4.121 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.322 -2.666 -4.025 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -9.291 -0.377 -4.131 1.00 0.00 C ATOM 0 H ILE A 76 -9.517 -1.405 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.317 -1.162 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.262 -2.662 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.127 -0.765 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.308 0.134 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.116 -2.850 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.519 -3.613 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.194 -2.018 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.121 0.555 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.934 -0.273 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.750 -1.185 -4.623 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.715 -3.625 -1.163 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.979 -4.911 -0.516 1.00 0.00 C ATOM 1276 C GLU A 77 -13.784 -5.831 -1.437 1.00 0.00 C ATOM 1277 O GLU A 77 -14.675 -5.375 -2.157 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.730 -4.702 0.802 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.920 -3.758 0.685 1.00 0.00 C ATOM 1280 CD GLU A 77 -15.794 -3.753 1.926 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -16.305 -4.831 2.298 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -15.967 -2.671 2.524 1.00 0.00 O ATOM 0 H GLU A 77 -13.530 -3.210 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.021 -5.386 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.078 -5.668 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.037 -4.309 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.558 -2.747 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.523 -4.046 -0.176 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.460 -7.126 -1.412 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.147 -8.111 -2.248 1.00 0.00 C ATOM 1291 C GLU A 78 -14.527 -9.357 -1.451 1.00 0.00 C ATOM 1292 O GLU A 78 -13.870 -9.706 -0.469 1.00 0.00 O ATOM 1293 CB GLU A 78 -13.266 -8.500 -3.437 1.00 0.00 C ATOM 1294 CG GLU A 78 -12.998 -7.349 -4.394 1.00 0.00 C ATOM 1295 CD GLU A 78 -12.788 -7.814 -5.822 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -13.791 -7.967 -6.550 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -11.623 -8.023 -6.215 1.00 0.00 O ATOM 0 H GLU A 78 -12.726 -7.516 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.066 -7.653 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.315 -8.882 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.745 -9.313 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.836 -6.653 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.116 -6.802 -4.061 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.599 -10.025 -1.888 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.080 -11.235 -1.224 1.00 0.00 C ATOM 1306 C GLN A 79 -16.206 -12.400 -2.210 1.00 0.00 C ATOM 1307 O GLN A 79 -15.941 -12.251 -3.405 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.437 -10.970 -0.559 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.556 -10.651 -1.543 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.348 -11.882 -1.947 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.137 -12.446 -3.021 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -20.270 -12.305 -1.087 1.00 0.00 N ATOM 0 H GLN A 79 -16.149 -9.746 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.350 -11.510 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.720 -11.844 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.332 -10.139 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.230 -9.920 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.131 -10.189 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.413 -11.809 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.834 -13.126 -1.307 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.619 -13.557 -1.692 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.785 -14.737 -2.520 1.00 0.00 C ATOM 1323 C GLY A 80 -15.502 -15.523 -2.679 1.00 0.00 C ATOM 1324 O GLY A 80 -15.090 -16.236 -1.763 1.00 0.00 O ATOM 0 H GLY A 80 -16.842 -13.696 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.548 -15.380 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.147 -14.438 -3.503 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.873 -15.394 -3.844 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.629 -16.102 -4.124 1.00 0.00 C ATOM 1330 C TRP A 81 -12.498 -15.130 -4.468 1.00 0.00 C ATOM 1331 O TRP A 81 -12.521 -14.469 -5.509 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.832 -17.114 -5.259 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.182 -16.487 -6.578 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.376 -15.920 -6.931 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.325 -16.358 -7.718 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.311 -15.450 -8.220 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.063 -15.709 -8.726 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.004 -16.730 -7.984 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -13.522 -15.424 -9.979 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.469 -16.446 -9.226 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -12.227 -15.799 -10.210 1.00 0.00 C ATOM 0 H TRP A 81 -15.205 -14.806 -4.609 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.341 -16.641 -3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.921 -17.700 -5.377 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.623 -17.808 -4.976 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.243 -15.852 -6.290 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -16.068 -14.984 -8.720 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.412 -17.231 -7.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -14.104 -14.925 -10.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.449 -16.728 -9.442 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.780 -15.592 -11.171 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.513 -15.049 -3.581 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.382 -14.165 -3.797 1.00 0.00 C ATOM 1354 C GLY A 82 -9.241 -14.451 -2.840 1.00 0.00 C ATOM 1355 O GLY A 82 -9.384 -14.281 -1.628 1.00 0.00 O ATOM 0 H GLY A 82 -11.477 -15.582 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.029 -14.273 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.704 -13.130 -3.678 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.108 -14.894 -3.383 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.958 -15.204 -2.551 1.00 0.00 C ATOM 1361 C GLY A 83 -5.689 -15.371 -3.360 1.00 0.00 C ATOM 1362 O GLY A 83 -5.496 -16.398 -4.014 1.00 0.00 O ATOM 0 H GLY A 83 -7.967 -15.043 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.817 -14.408 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.153 -16.120 -1.993 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.824 -14.357 -3.322 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.566 -14.391 -4.065 1.00 0.00 C ATOM 1368 C PHE A 84 -2.485 -13.567 -3.361 1.00 0.00 C ATOM 1369 O PHE A 84 -2.777 -12.808 -2.435 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.761 -13.864 -5.496 1.00 0.00 C ATOM 1371 CG PHE A 84 -5.179 -13.921 -6.004 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -6.106 -12.960 -5.623 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.582 -14.931 -6.861 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -7.406 -13.011 -6.087 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -6.879 -14.985 -7.330 1.00 0.00 C ATOM 1376 CZ PHE A 84 -7.793 -14.025 -6.941 1.00 0.00 C ATOM 0 H PHE A 84 -4.972 -13.503 -2.785 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.242 -15.431 -4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.417 -12.831 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.125 -14.439 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.807 -12.164 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.873 -15.686 -7.166 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.119 -12.259 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.179 -15.777 -8.000 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.809 -14.067 -7.304 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.217 -13.715 -3.796 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.074 -12.991 -3.214 1.00 0.00 C ATOM 1388 C PRO A 85 -0.195 -11.469 -3.335 1.00 0.00 C ATOM 1389 O PRO A 85 -1.102 -10.953 -3.989 1.00 0.00 O ATOM 1390 CB PRO A 85 1.122 -13.483 -4.034 1.00 0.00 C ATOM 1391 CG PRO A 85 0.676 -14.775 -4.625 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.791 -14.610 -4.885 1.00 0.00 C ATOM 0 HA PRO A 85 0.004 -13.183 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.391 -12.766 -4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.003 -13.619 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.216 -14.992 -5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.863 -15.604 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.981 -14.173 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.317 -15.564 -4.854 1.00 0.00 H new ATOM 1400 N LEU A 86 0.742 -10.766 -2.699 1.00 0.00 N ATOM 1401 CA LEU A 86 0.778 -9.305 -2.717 1.00 0.00 C ATOM 1402 C LEU A 86 2.224 -8.810 -2.782 1.00 0.00 C ATOM 1403 O LEU A 86 3.152 -9.547 -2.444 1.00 0.00 O ATOM 1404 CB LEU A 86 0.094 -8.737 -1.467 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.276 -9.332 -1.132 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.122 -10.555 -0.244 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.159 -8.293 -0.456 1.00 0.00 C ATOM 0 H LEU A 86 1.495 -11.192 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 86 0.243 -8.960 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.754 -8.889 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.019 -7.660 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.754 -9.638 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.106 -10.965 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.526 -11.307 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.623 -10.271 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.129 -8.734 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.685 -7.957 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.297 -7.443 -1.124 1.00 0.00 H new ATOM 1419 N ASP A 87 2.413 -7.562 -3.209 1.00 0.00 N ATOM 1420 CA ASP A 87 3.753 -6.983 -3.309 1.00 0.00 C ATOM 1421 C ASP A 87 3.709 -5.459 -3.277 1.00 0.00 C ATOM 1422 O ASP A 87 3.208 -4.823 -4.205 1.00 0.00 O ATOM 1423 CB ASP A 87 4.446 -7.452 -4.593 1.00 0.00 C ATOM 1424 CG ASP A 87 5.878 -6.954 -4.693 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.766 -7.566 -4.061 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.111 -5.950 -5.398 1.00 0.00 O ATOM 0 H ASP A 87 1.659 -6.935 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 87 4.322 -7.327 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.440 -8.541 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.881 -7.101 -5.457 1.00 0.00 H new ATOM 1431 N ILE A 88 4.255 -4.877 -2.211 1.00 0.00 N ATOM 1432 CA ILE A 88 4.295 -3.423 -2.067 1.00 0.00 C ATOM 1433 C ILE A 88 5.739 -2.926 -2.049 1.00 0.00 C ATOM 1434 O ILE A 88 6.541 -3.341 -1.209 1.00 0.00 O ATOM 1435 CB ILE A 88 3.560 -2.948 -0.792 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.654 -1.425 -0.651 1.00 0.00 C ATOM 1437 CG2 ILE A 88 4.114 -3.641 0.448 1.00 0.00 C ATOM 1438 CD1 ILE A 88 2.385 -0.783 -0.139 1.00 0.00 C ATOM 0 H ILE A 88 4.675 -5.389 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 88 3.778 -3.000 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 88 2.509 -3.219 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.473 -1.181 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.903 -0.994 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.580 -3.289 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.984 -4.719 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.175 -3.411 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.527 0.295 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.567 -0.995 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.145 -1.186 0.845 1.00 0.00 H new ATOM 1450 N SER A 89 6.066 -2.042 -2.990 1.00 0.00 N ATOM 1451 CA SER A 89 7.414 -1.493 -3.095 1.00 0.00 C ATOM 1452 C SER A 89 7.381 0.029 -3.201 1.00 0.00 C ATOM 1453 O SER A 89 6.771 0.587 -4.115 1.00 0.00 O ATOM 1454 CB SER A 89 8.146 -2.082 -4.307 1.00 0.00 C ATOM 1455 OG SER A 89 7.282 -2.876 -5.106 1.00 0.00 O ATOM 0 H SER A 89 5.414 -1.691 -3.691 1.00 0.00 H new ATOM 0 HA SER A 89 7.953 -1.766 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.560 -1.274 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.986 -2.688 -3.966 1.00 0.00 H new ATOM 0 HG SER A 89 7.780 -3.234 -5.870 1.00 0.00 H new ATOM 1461 N VAL A 90 8.050 0.692 -2.262 1.00 0.00 N ATOM 1462 CA VAL A 90 8.112 2.149 -2.242 1.00 0.00 C ATOM 1463 C VAL A 90 9.434 2.640 -2.830 1.00 0.00 C ATOM 1464 O VAL A 90 10.436 1.922 -2.801 1.00 0.00 O ATOM 1465 CB VAL A 90 7.952 2.701 -0.806 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.670 4.199 -0.827 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.851 1.955 -0.064 1.00 0.00 C ATOM 0 H VAL A 90 8.559 0.240 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 90 7.286 2.517 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 90 8.891 2.542 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.562 4.563 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.497 4.718 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.750 4.388 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.754 2.358 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.907 2.076 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.103 0.896 -0.009 1.00 0.00 H new ATOM 1477 N PHE A 91 9.430 3.864 -3.357 1.00 0.00 N ATOM 1478 CA PHE A 91 10.621 4.464 -3.948 1.00 0.00 C ATOM 1479 C PHE A 91 10.590 5.977 -3.749 1.00 0.00 C ATOM 1480 O PHE A 91 9.523 6.557 -3.526 1.00 0.00 O ATOM 1481 CB PHE A 91 10.714 4.131 -5.443 1.00 0.00 C ATOM 1482 CG PHE A 91 11.213 2.740 -5.730 1.00 0.00 C ATOM 1483 CD1 PHE A 91 10.341 1.664 -5.732 1.00 0.00 C ATOM 1484 CD2 PHE A 91 12.554 2.512 -5.998 1.00 0.00 C ATOM 1485 CE1 PHE A 91 10.797 0.385 -5.993 1.00 0.00 C ATOM 1486 CE2 PHE A 91 13.015 1.237 -6.259 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.136 0.171 -6.257 1.00 0.00 C ATOM 0 H PHE A 91 8.605 4.463 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 91 11.500 4.053 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.729 4.253 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.376 4.850 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.293 1.826 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.246 3.341 -6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 91 10.107 -0.446 -5.990 1.00 0.00 H new ATOM 0 HE2 PHE A 91 14.062 1.073 -6.465 1.00 0.00 H new ATOM 0 HZ PHE A 91 12.495 -0.827 -6.461 1.00 0.00 H new ATOM 1497 N LEU A 92 11.756 6.612 -3.815 1.00 0.00 N ATOM 1498 CA LEU A 92 11.848 8.055 -3.622 1.00 0.00 C ATOM 1499 C LEU A 92 13.066 8.635 -4.355 1.00 0.00 C ATOM 1500 O LEU A 92 13.753 7.921 -5.087 1.00 0.00 O ATOM 1501 CB LEU A 92 11.913 8.359 -2.122 1.00 0.00 C ATOM 1502 CG LEU A 92 11.359 9.724 -1.702 1.00 0.00 C ATOM 1503 CD1 LEU A 92 10.150 9.554 -0.794 1.00 0.00 C ATOM 1504 CD2 LEU A 92 12.439 10.549 -1.015 1.00 0.00 C ATOM 0 H LEU A 92 12.647 6.152 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 92 10.962 8.528 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.364 7.583 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.952 8.293 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 92 11.039 10.257 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.770 10.534 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.372 9.005 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.441 9.001 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.028 11.516 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.791 10.022 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.272 10.701 -1.701 1.00 0.00 H new ATOM 1516 N LEU A 93 13.311 9.935 -4.168 1.00 0.00 N ATOM 1517 CA LEU A 93 14.430 10.622 -4.818 1.00 0.00 C ATOM 1518 C LEU A 93 15.773 10.018 -4.409 1.00 0.00 C ATOM 1519 O LEU A 93 16.465 9.418 -5.232 1.00 0.00 O ATOM 1520 CB LEU A 93 14.401 12.116 -4.478 1.00 0.00 C ATOM 1521 CG LEU A 93 13.368 12.943 -5.252 1.00 0.00 C ATOM 1522 CD1 LEU A 93 11.965 12.387 -5.039 1.00 0.00 C ATOM 1523 CD2 LEU A 93 13.434 14.405 -4.834 1.00 0.00 C ATOM 0 H LEU A 93 12.746 10.536 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 93 14.319 10.494 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.205 12.226 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.390 12.534 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 93 13.603 12.878 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.247 12.988 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.925 11.356 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.718 12.419 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.694 14.977 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.226 14.488 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.429 14.798 -5.042 1.00 0.00 H new ATOM 1535 N GLU A 94 16.135 10.176 -3.135 1.00 0.00 N ATOM 1536 CA GLU A 94 17.395 9.640 -2.624 1.00 0.00 C ATOM 1537 C GLU A 94 17.205 8.255 -1.997 1.00 0.00 C ATOM 1538 O GLU A 94 18.042 7.802 -1.213 1.00 0.00 O ATOM 1539 CB GLU A 94 18.002 10.602 -1.598 1.00 0.00 C ATOM 1540 CG GLU A 94 18.888 11.674 -2.216 1.00 0.00 C ATOM 1541 CD GLU A 94 18.089 12.825 -2.800 1.00 0.00 C ATOM 1542 OE1 GLU A 94 17.473 13.578 -2.015 1.00 0.00 O ATOM 1543 OE2 GLU A 94 18.078 12.970 -4.039 1.00 0.00 O ATOM 0 H GLU A 94 15.574 10.670 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 94 18.077 9.535 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.197 11.084 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.587 10.030 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.570 12.058 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.500 11.227 -2.999 1.00 0.00 H new ATOM 1550 N LYS A 95 16.104 7.581 -2.351 1.00 0.00 N ATOM 1551 CA LYS A 95 15.808 6.250 -1.824 1.00 0.00 C ATOM 1552 C LYS A 95 15.724 6.273 -0.297 1.00 0.00 C ATOM 1553 O LYS A 95 16.417 5.515 0.387 1.00 0.00 O ATOM 1554 CB LYS A 95 16.863 5.229 -2.281 1.00 0.00 C ATOM 1555 CG LYS A 95 17.389 5.452 -3.695 1.00 0.00 C ATOM 1556 CD LYS A 95 16.261 5.656 -4.699 1.00 0.00 C ATOM 1557 CE LYS A 95 15.411 4.404 -4.853 1.00 0.00 C ATOM 1558 NZ LYS A 95 15.945 3.490 -5.901 1.00 0.00 N ATOM 0 H LYS A 95 15.405 7.939 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 95 14.839 5.946 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 95 17.702 5.257 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.433 4.229 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 95 18.045 6.323 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.992 4.596 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.632 6.485 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.680 5.932 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.368 3.876 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.390 4.688 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.183 3.236 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.709 3.967 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.317 2.628 -5.453 1.00 0.00 H new ATOM 1572 N ALA A 96 14.862 7.140 0.232 1.00 0.00 N ATOM 1573 CA ALA A 96 14.674 7.256 1.673 1.00 0.00 C ATOM 1574 C ALA A 96 13.778 6.133 2.180 1.00 0.00 C ATOM 1575 O ALA A 96 13.996 5.592 3.265 1.00 0.00 O ATOM 1576 CB ALA A 96 14.074 8.609 2.028 1.00 0.00 C ATOM 0 H ALA A 96 14.282 7.773 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 96 15.648 7.174 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.941 8.676 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.743 9.402 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.107 8.719 1.536 1.00 0.00 H new ATOM 1582 N GLY A 97 12.772 5.788 1.376 1.00 0.00 N ATOM 1583 CA GLY A 97 11.857 4.729 1.741 1.00 0.00 C ATOM 1584 C GLY A 97 11.810 3.616 0.708 1.00 0.00 C ATOM 1585 O GLY A 97 10.801 2.922 0.591 1.00 0.00 O ATOM 0 H GLY A 97 12.578 6.228 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.153 4.314 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.857 5.145 1.867 1.00 0.00 H new ATOM 1589 N GLU A 98 12.902 3.447 -0.041 1.00 0.00 N ATOM 1590 CA GLU A 98 12.974 2.412 -1.068 1.00 0.00 C ATOM 1591 C GLU A 98 12.960 1.023 -0.434 1.00 0.00 C ATOM 1592 O GLU A 98 14.009 0.476 -0.083 1.00 0.00 O ATOM 1593 CB GLU A 98 14.231 2.595 -1.920 1.00 0.00 C ATOM 1594 CG GLU A 98 14.238 1.751 -3.186 1.00 0.00 C ATOM 1595 CD GLU A 98 15.559 1.039 -3.408 1.00 0.00 C ATOM 1596 OE1 GLU A 98 16.587 1.729 -3.575 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.562 -0.209 -3.419 1.00 0.00 O ATOM 0 H GLU A 98 13.746 4.014 0.046 1.00 0.00 H new ATOM 0 HA GLU A 98 12.099 2.505 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.324 3.646 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.106 2.343 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.437 1.013 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.025 2.389 -4.044 1.00 0.00 H new ATOM 1604 N ARG A 99 11.760 0.463 -0.273 1.00 0.00 N ATOM 1605 CA ARG A 99 11.601 -0.855 0.333 1.00 0.00 C ATOM 1606 C ARG A 99 10.489 -1.654 -0.347 1.00 0.00 C ATOM 1607 O ARG A 99 9.453 -1.099 -0.717 1.00 0.00 O ATOM 1608 CB ARG A 99 11.299 -0.707 1.827 1.00 0.00 C ATOM 1609 CG ARG A 99 11.285 -2.024 2.588 1.00 0.00 C ATOM 1610 CD ARG A 99 12.656 -2.353 3.161 1.00 0.00 C ATOM 1611 NE ARG A 99 12.558 -3.121 4.401 1.00 0.00 N ATOM 1612 CZ ARG A 99 12.296 -4.431 4.451 1.00 0.00 C ATOM 1613 NH1 ARG A 99 12.112 -5.126 3.329 1.00 0.00 N ATOM 1614 NH2 ARG A 99 12.219 -5.047 5.625 1.00 0.00 N ATOM 0 H ARG A 99 10.885 0.904 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 99 12.535 -1.401 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.043 -0.048 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.331 -0.220 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.555 -1.971 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.966 -2.826 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.230 -2.919 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.203 -1.429 3.349 1.00 0.00 H new ATOM 0 HE ARG A 99 12.698 -2.627 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.171 -4.659 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.912 -6.125 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.360 -4.521 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.019 -6.046 5.664 1.00 0.00 H new ATOM 1628 N LYS A 100 10.708 -2.964 -0.491 1.00 0.00 N ATOM 1629 CA LYS A 100 9.726 -3.854 -1.110 1.00 0.00 C ATOM 1630 C LYS A 100 9.420 -5.034 -0.187 1.00 0.00 C ATOM 1631 O LYS A 100 10.316 -5.807 0.158 1.00 0.00 O ATOM 1632 CB LYS A 100 10.239 -4.367 -2.459 1.00 0.00 C ATOM 1633 CG LYS A 100 9.229 -5.226 -3.208 1.00 0.00 C ATOM 1634 CD LYS A 100 9.827 -5.822 -4.473 1.00 0.00 C ATOM 1635 CE LYS A 100 10.286 -7.258 -4.254 1.00 0.00 C ATOM 1636 NZ LYS A 100 11.231 -7.373 -3.105 1.00 0.00 N ATOM 0 H LYS A 100 11.561 -3.432 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 100 8.810 -3.288 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.512 -3.515 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.147 -4.947 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.880 -6.028 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.358 -4.623 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.088 -5.794 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.672 -5.215 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.418 -7.893 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.769 -7.626 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.636 -8.331 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.995 -6.676 -3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.721 -7.193 -2.217 1.00 0.00 H new ATOM 1650 N ILE A 101 8.156 -5.161 0.217 1.00 0.00 N ATOM 1651 CA ILE A 101 7.740 -6.242 1.108 1.00 0.00 C ATOM 1652 C ILE A 101 6.527 -6.991 0.552 1.00 0.00 C ATOM 1653 O ILE A 101 5.470 -6.397 0.330 1.00 0.00 O ATOM 1654 CB ILE A 101 7.397 -5.709 2.517 1.00 0.00 C ATOM 1655 CG1 ILE A 101 8.513 -4.794 3.037 1.00 0.00 C ATOM 1656 CG2 ILE A 101 7.165 -6.866 3.483 1.00 0.00 C ATOM 1657 CD1 ILE A 101 8.140 -4.031 4.288 1.00 0.00 C ATOM 0 H ILE A 101 7.404 -4.529 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 101 8.583 -6.929 1.179 1.00 0.00 H new ATOM 0 HB ILE A 101 6.479 -5.125 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.399 -5.396 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.782 -4.084 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.925 -6.473 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.338 -7.479 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.067 -7.475 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.978 -3.406 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.273 -3.402 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.900 -4.734 5.085 1.00 0.00 H new ATOM 1669 N PRO A 102 6.665 -8.312 0.320 1.00 0.00 N ATOM 1670 CA PRO A 102 5.584 -9.146 -0.206 1.00 0.00 C ATOM 1671 C PRO A 102 4.679 -9.703 0.895 1.00 0.00 C ATOM 1672 O PRO A 102 5.101 -9.844 2.046 1.00 0.00 O ATOM 1673 CB PRO A 102 6.349 -10.272 -0.895 1.00 0.00 C ATOM 1674 CG PRO A 102 7.585 -10.445 -0.075 1.00 0.00 C ATOM 1675 CD PRO A 102 7.890 -9.102 0.551 1.00 0.00 C ATOM 0 HA PRO A 102 4.909 -8.592 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.762 -11.190 -0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.590 -10.014 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.435 -11.204 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.416 -10.779 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.108 -9.198 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.759 -8.635 0.088 1.00 0.00 H new ATOM 1683 N HIS A 103 3.431 -10.012 0.535 1.00 0.00 N ATOM 1684 CA HIS A 103 2.462 -10.553 1.489 1.00 0.00 C ATOM 1685 C HIS A 103 1.608 -11.655 0.854 1.00 0.00 C ATOM 1686 O HIS A 103 1.680 -11.889 -0.355 1.00 0.00 O ATOM 1687 CB HIS A 103 1.566 -9.428 2.022 1.00 0.00 C ATOM 1688 CG HIS A 103 2.331 -8.287 2.622 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.748 -8.267 3.936 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.761 -7.124 2.076 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.400 -7.144 4.173 1.00 0.00 C ATOM 1692 NE2 HIS A 103 3.423 -6.434 3.060 1.00 0.00 N ATOM 0 H HIS A 103 3.068 -9.896 -0.411 1.00 0.00 H new ATOM 0 HA HIS A 103 3.015 -10.995 2.318 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.946 -9.051 1.208 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.891 -9.837 2.773 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.579 -9.005 4.619 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.611 -6.800 1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.840 -6.855 5.116 1.00 0.00 H new ATOM 1701 N ASP A 104 0.802 -12.332 1.679 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.062 -13.410 1.201 1.00 0.00 C ATOM 1703 C ASP A 104 -1.506 -13.201 1.656 1.00 0.00 C ATOM 1704 O ASP A 104 -1.771 -13.059 2.850 1.00 0.00 O ATOM 1705 CB ASP A 104 0.459 -14.763 1.697 1.00 0.00 C ATOM 1706 CG ASP A 104 1.589 -15.292 0.834 1.00 0.00 C ATOM 1707 OD1 ASP A 104 1.297 -15.907 -0.213 1.00 0.00 O ATOM 1708 OD2 ASP A 104 2.764 -15.092 1.206 1.00 0.00 O ATOM 0 H ASP A 104 0.732 -12.150 2.680 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.046 -13.400 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.806 -14.662 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.358 -15.484 1.705 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.432 -13.181 0.696 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.851 -12.983 0.990 1.00 0.00 C ATOM 1715 C LEU A 105 -4.652 -14.242 0.665 1.00 0.00 C ATOM 1716 O LEU A 105 -5.055 -14.454 -0.478 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.386 -11.781 0.193 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.875 -11.449 0.372 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.714 -12.132 -0.700 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.362 -11.839 1.762 1.00 0.00 C ATOM 0 H LEU A 105 -2.223 -13.300 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.963 -12.779 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.805 -10.902 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.202 -11.964 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.991 -10.371 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.765 -11.883 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.394 -11.791 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.584 -13.212 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.419 -11.592 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.224 -12.910 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.791 -11.294 2.514 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.876 -15.080 1.681 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.631 -16.326 1.509 1.00 0.00 C ATOM 1734 C ASN A 106 -5.712 -17.107 2.825 1.00 0.00 C ATOM 1735 O ASN A 106 -5.574 -18.332 2.841 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.986 -17.197 0.418 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.827 -18.411 0.061 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -5.360 -19.546 0.148 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -7.072 -18.181 -0.343 1.00 0.00 N ATOM 0 H ASN A 106 -4.545 -14.919 2.632 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.644 -16.065 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.829 -16.594 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.004 -17.528 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.679 -18.961 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.421 -17.224 -0.401 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.933 -16.394 3.931 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.021 -17.030 5.239 1.00 0.00 C ATOM 1748 C PHE A 107 -7.168 -16.447 6.058 1.00 0.00 C ATOM 1749 O PHE A 107 -7.243 -15.232 6.260 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.699 -16.870 5.997 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.499 -17.376 5.239 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.438 -18.691 4.801 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.432 -16.534 4.964 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -2.339 -19.154 4.101 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.330 -16.993 4.264 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.284 -18.303 3.833 1.00 0.00 C ATOM 0 H PHE A 107 -6.053 -15.381 3.944 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.218 -18.091 5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.551 -15.816 6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.768 -17.402 6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.259 -19.361 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.461 -15.508 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.305 -20.180 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.506 -16.326 4.055 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.424 -18.663 3.287 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.059 -17.324 6.527 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.210 -16.914 7.326 1.00 0.00 C ATOM 1768 C LEU A 108 -8.773 -16.061 8.516 1.00 0.00 C ATOM 1769 O LEU A 108 -7.942 -16.483 9.323 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.988 -18.141 7.814 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.175 -19.141 8.640 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.748 -19.266 10.044 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.138 -20.497 7.952 1.00 0.00 C ATOM 0 H LEU A 108 -8.002 -18.329 6.364 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.862 -16.312 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.833 -17.801 8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.399 -18.659 6.948 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.153 -18.770 8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.157 -19.981 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.718 -18.294 10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.780 -19.612 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.556 -21.195 8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.154 -20.876 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.678 -20.394 6.969 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.338 -14.857 8.605 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.021 -13.921 9.681 1.00 0.00 C ATOM 1787 C GLN A 109 -7.625 -13.330 9.480 1.00 0.00 C ATOM 1788 O GLN A 109 -6.737 -13.488 10.322 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.133 -14.611 11.046 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.706 -13.720 12.140 1.00 0.00 C ATOM 1791 CD GLN A 109 -9.417 -14.241 13.535 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.317 -14.697 14.238 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -8.154 -14.173 13.946 1.00 0.00 N ATOM 0 H GLN A 109 -10.024 -14.505 7.937 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.743 -13.105 9.655 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.761 -15.496 10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.145 -14.955 11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.292 -12.717 12.039 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.784 -13.635 12.005 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.438 -13.787 13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.902 -14.507 14.876 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.440 -12.635 8.355 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.163 -12.012 8.036 1.00 0.00 C ATOM 1804 C GLU A 110 -6.101 -10.605 8.607 1.00 0.00 C ATOM 1805 O GLU A 110 -7.079 -9.854 8.544 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.938 -11.955 6.523 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.649 -11.248 6.127 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.898 -11.959 5.021 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.388 -13.076 5.265 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.823 -11.399 3.907 1.00 0.00 O ATOM 0 H GLU A 110 -8.164 -12.492 7.651 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.378 -12.621 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.922 -12.971 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.781 -11.445 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.882 -10.233 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.004 -11.165 7.001 1.00 0.00 H new ATOM 1817 N SER A 111 -4.941 -10.263 9.149 1.00 0.00 N ATOM 1818 CA SER A 111 -4.711 -8.950 9.736 1.00 0.00 C ATOM 1819 C SER A 111 -3.247 -8.547 9.553 1.00 0.00 C ATOM 1820 O SER A 111 -2.500 -8.387 10.520 1.00 0.00 O ATOM 1821 CB SER A 111 -5.100 -8.966 11.218 1.00 0.00 C ATOM 1822 OG SER A 111 -4.222 -9.781 11.980 1.00 0.00 O ATOM 0 H SER A 111 -4.134 -10.886 9.194 1.00 0.00 H new ATOM 0 HA SER A 111 -5.332 -8.211 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.085 -7.949 11.610 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.121 -9.333 11.323 1.00 0.00 H new ATOM 0 HG SER A 111 -3.295 -9.515 11.806 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.849 -8.391 8.292 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.485 -8.016 7.953 1.00 0.00 C ATOM 1830 C TYR A 112 -1.461 -6.650 7.291 1.00 0.00 C ATOM 1831 O TYR A 112 -2.079 -6.444 6.244 1.00 0.00 O ATOM 1832 CB TYR A 112 -0.861 -9.060 7.025 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.422 -10.318 7.740 1.00 0.00 C ATOM 1834 CD1 TYR A 112 0.756 -10.345 8.475 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -1.188 -11.476 7.685 1.00 0.00 C ATOM 1836 CE1 TYR A 112 1.161 -11.489 9.134 1.00 0.00 C ATOM 1837 CE2 TYR A 112 -0.790 -12.626 8.342 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.384 -12.626 9.065 1.00 0.00 C ATOM 1839 OH TYR A 112 0.786 -13.770 9.719 1.00 0.00 O ATOM 0 H TYR A 112 -3.460 -8.520 7.485 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.901 -7.970 8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.582 -9.324 6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.001 -8.619 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.366 -9.456 8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.109 -11.478 7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.081 -11.493 9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.395 -13.519 8.289 1.00 0.00 H new ATOM 0 HH TYR A 112 0.127 -14.480 9.571 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.762 -5.717 7.921 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.670 -4.358 7.414 1.00 0.00 C ATOM 1851 C GLU A 113 0.685 -3.728 7.741 1.00 0.00 C ATOM 1852 O GLU A 113 1.177 -3.830 8.868 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.819 -3.523 7.987 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.598 -3.040 9.417 1.00 0.00 C ATOM 1855 CD GLU A 113 -1.538 -4.175 10.425 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -2.407 -5.073 10.367 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -0.621 -4.168 11.270 1.00 0.00 O ATOM 0 H GLU A 113 -0.249 -5.879 8.788 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.754 -4.384 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.977 -2.657 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.733 -4.115 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.669 -2.471 9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.403 -2.359 9.693 1.00 0.00 H new ATOM 1864 N VAL A 114 1.288 -3.088 6.740 1.00 0.00 N ATOM 1865 CA VAL A 114 2.591 -2.448 6.910 1.00 0.00 C ATOM 1866 C VAL A 114 2.469 -0.930 6.981 1.00 0.00 C ATOM 1867 O VAL A 114 1.602 -0.333 6.336 1.00 0.00 O ATOM 1868 CB VAL A 114 3.554 -2.805 5.759 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.960 -2.304 6.059 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.564 -4.302 5.510 1.00 0.00 C ATOM 0 H VAL A 114 0.895 -2.999 5.803 1.00 0.00 H new ATOM 0 HA VAL A 114 2.992 -2.825 7.851 1.00 0.00 H new ATOM 0 HB VAL A 114 3.199 -2.311 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.623 -2.566 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.942 -1.221 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.323 -2.766 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.250 -4.531 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.889 -4.819 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.560 -4.633 5.244 1.00 0.00 H new ATOM 1880 N GLU A 115 3.359 -0.315 7.758 1.00 0.00 N ATOM 1881 CA GLU A 115 3.375 1.133 7.912 1.00 0.00 C ATOM 1882 C GLU A 115 4.805 1.667 7.848 1.00 0.00 C ATOM 1883 O GLU A 115 5.596 1.472 8.773 1.00 0.00 O ATOM 1884 CB GLU A 115 2.718 1.527 9.237 1.00 0.00 C ATOM 1885 CG GLU A 115 1.322 0.944 9.412 1.00 0.00 C ATOM 1886 CD GLU A 115 0.791 1.079 10.826 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.085 2.103 11.482 1.00 0.00 O ATOM 1888 OE2 GLU A 115 0.072 0.162 11.275 1.00 0.00 O ATOM 0 H GLU A 115 4.080 -0.802 8.291 1.00 0.00 H new ATOM 0 HA GLU A 115 2.809 1.575 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.349 1.194 10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.661 2.614 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.638 1.443 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.338 -0.110 9.136 1.00 0.00 H new ATOM 1895 N HIS A 116 5.126 2.345 6.746 1.00 0.00 N ATOM 1896 CA HIS A 116 6.459 2.917 6.548 1.00 0.00 C ATOM 1897 C HIS A 116 6.388 4.440 6.460 1.00 0.00 C ATOM 1898 O HIS A 116 5.489 4.990 5.826 1.00 0.00 O ATOM 1899 CB HIS A 116 7.095 2.347 5.277 1.00 0.00 C ATOM 1900 CG HIS A 116 8.141 1.310 5.541 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.844 -0.007 5.817 1.00 0.00 N ATOM 1902 CD2 HIS A 116 9.492 1.401 5.563 1.00 0.00 C ATOM 1903 CE1 HIS A 116 8.965 -0.683 5.996 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.978 0.149 5.847 1.00 0.00 N ATOM 0 H HIS A 116 4.480 2.512 5.975 1.00 0.00 H new ATOM 0 HA HIS A 116 7.076 2.650 7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.314 1.912 4.654 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.540 3.162 4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 116 10.077 2.292 5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.039 -1.736 6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 116 10.964 -0.098 5.930 1.00 0.00 H new ATOM 1913 N VAL A 117 7.343 5.117 7.100 1.00 0.00 N ATOM 1914 CA VAL A 117 7.386 6.579 7.097 1.00 0.00 C ATOM 1915 C VAL A 117 8.624 7.104 6.364 1.00 0.00 C ATOM 1916 O VAL A 117 9.717 6.546 6.484 1.00 0.00 O ATOM 1917 CB VAL A 117 7.365 7.145 8.535 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.588 6.684 9.318 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.278 8.667 8.518 1.00 0.00 C ATOM 0 H VAL A 117 8.097 4.676 7.627 1.00 0.00 H new ATOM 0 HA VAL A 117 6.495 6.917 6.568 1.00 0.00 H new ATOM 0 HB VAL A 117 6.477 6.759 9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.550 7.095 10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.598 5.595 9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.492 7.031 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.265 9.042 9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.142 9.075 7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.365 8.974 8.007 1.00 0.00 H new ATOM 1929 N ILE A 118 8.439 8.189 5.610 1.00 0.00 N ATOM 1930 CA ILE A 118 9.528 8.811 4.859 1.00 0.00 C ATOM 1931 C ILE A 118 9.567 10.318 5.117 1.00 0.00 C ATOM 1932 O ILE A 118 8.669 11.050 4.698 1.00 0.00 O ATOM 1933 CB ILE A 118 9.384 8.564 3.340 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.138 7.079 3.053 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.623 9.054 2.603 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.788 6.803 2.426 1.00 0.00 C ATOM 0 H ILE A 118 7.539 8.657 5.504 1.00 0.00 H new ATOM 0 HA ILE A 118 10.456 8.354 5.202 1.00 0.00 H new ATOM 0 HB ILE A 118 8.522 9.127 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.920 6.710 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.219 6.518 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.506 8.873 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.752 10.122 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.499 8.518 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.681 5.733 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.999 7.141 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.711 7.336 1.478 1.00 0.00 H new ATOM 1948 N GLN A 119 10.610 10.776 5.809 1.00 0.00 N ATOM 1949 CA GLN A 119 10.757 12.197 6.122 1.00 0.00 C ATOM 1950 C GLN A 119 12.075 12.748 5.583 1.00 0.00 C ATOM 1951 O GLN A 119 13.121 12.109 5.705 1.00 0.00 O ATOM 1952 CB GLN A 119 10.680 12.414 7.635 1.00 0.00 C ATOM 1953 CG GLN A 119 9.807 13.589 8.042 1.00 0.00 C ATOM 1954 CD GLN A 119 9.347 13.499 9.485 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.081 13.856 10.405 1.00 0.00 O ATOM 1956 NE2 GLN A 119 8.126 13.017 9.690 1.00 0.00 N ATOM 0 H GLN A 119 11.363 10.186 6.162 1.00 0.00 H new ATOM 0 HA GLN A 119 9.941 12.734 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.295 11.508 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.687 12.570 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.361 14.516 7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.936 13.634 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.550 12.732 8.898 1.00 0.00 H new ATOM 0 HE22 GLN A 119 7.764 12.932 10.640 1.00 0.00 H new ATOM 1965 N ILE A 120 12.017 13.943 4.992 1.00 0.00 N ATOM 1966 CA ILE A 120 13.210 14.583 4.440 1.00 0.00 C ATOM 1967 C ILE A 120 13.000 16.099 4.268 1.00 0.00 C ATOM 1968 O ILE A 120 13.162 16.648 3.176 1.00 0.00 O ATOM 1969 CB ILE A 120 13.612 13.932 3.093 1.00 0.00 C ATOM 1970 CG1 ILE A 120 14.929 14.516 2.576 1.00 0.00 C ATOM 1971 CG2 ILE A 120 12.505 14.090 2.060 1.00 0.00 C ATOM 1972 CD1 ILE A 120 15.724 13.544 1.732 1.00 0.00 C ATOM 0 H ILE A 120 11.159 14.485 4.884 1.00 0.00 H new ATOM 0 HA ILE A 120 14.024 14.435 5.149 1.00 0.00 H new ATOM 0 HB ILE A 120 13.761 12.866 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 120 14.716 15.408 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 120 15.537 14.831 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 120 12.812 13.625 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 120 11.597 13.609 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 120 12.312 15.150 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 120 16.645 14.021 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 120 15.967 12.662 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 120 15.134 13.248 0.865 1.00 0.00 H new ATOM 1984 N PRO A 121 12.635 16.799 5.360 1.00 0.00 N ATOM 1985 CA PRO A 121 12.405 18.248 5.333 1.00 0.00 C ATOM 1986 C PRO A 121 13.704 19.045 5.230 1.00 0.00 C ATOM 1987 O PRO A 121 14.612 18.881 6.046 1.00 0.00 O ATOM 1988 CB PRO A 121 11.717 18.521 6.672 1.00 0.00 C ATOM 1989 CG PRO A 121 12.203 17.440 7.575 1.00 0.00 C ATOM 1990 CD PRO A 121 12.416 16.231 6.706 1.00 0.00 C ATOM 0 HA PRO A 121 11.819 18.550 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.978 19.506 7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.632 18.495 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.130 17.733 8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 121 11.476 17.232 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.274 15.646 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.551 15.568 6.724 1.00 0.00 H new