USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl -148:sc= -1.99 (180deg=-4.1!) USER MOD Set 1.2: A 89 MET CE :methyl -171:sc= -1.36 (180deg=-1.77) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 MET CE :methyl 178:sc= -1.88 (180deg=-1.89) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.0816 USER MOD Set 3.2: A 29 THR OG1 : rot 88:sc= 0.0765 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -113:sc= -0.715 (180deg=-2.83) USER MOD Single : A 14 THR OG1 : rot 100:sc= -0.921 USER MOD Single : A 15 SER OG : rot 6:sc= 0.536 USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.642) USER MOD Single : A 20 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 22 THR OG1 : rot 130:sc= 0.0195 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.117 USER MOD Single : A 63 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00101) USER MOD Single : A 88 GLN : amide:sc= 0.549 K(o=0.55,f=-6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 2:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -11.026 14.660 3.108 1.00 0.00 N ATOM 30 CA TYR A 3 -10.270 14.532 1.865 1.00 0.00 C ATOM 31 C TYR A 3 -10.955 15.192 0.666 1.00 0.00 C ATOM 32 O TYR A 3 -10.709 14.798 -0.471 1.00 0.00 O ATOM 33 CB TYR A 3 -9.974 13.059 1.572 1.00 0.00 C ATOM 34 CG TYR A 3 -9.320 12.322 2.715 1.00 0.00 C ATOM 35 CD1 TYR A 3 -10.103 11.906 3.799 1.00 0.00 C ATOM 36 CD2 TYR A 3 -7.946 12.053 2.689 1.00 0.00 C ATOM 37 CE1 TYR A 3 -9.509 11.211 4.864 1.00 0.00 C ATOM 38 CE2 TYR A 3 -7.344 11.360 3.747 1.00 0.00 C ATOM 39 CZ TYR A 3 -8.127 10.935 4.841 1.00 0.00 C ATOM 40 OH TYR A 3 -7.550 10.251 5.870 1.00 0.00 O ATOM 0 HA TYR A 3 -9.334 15.070 2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.907 12.556 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.328 12.997 0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.162 12.119 3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.349 12.381 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.111 10.888 5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.284 11.152 3.725 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.591 10.145 5.696 1.00 0.00 H new ATOM 50 N GLY A 4 -11.814 16.185 0.900 1.00 0.00 N ATOM 51 CA GLY A 4 -12.585 16.793 -0.171 1.00 0.00 C ATOM 52 C GLY A 4 -11.688 17.343 -1.274 1.00 0.00 C ATOM 53 O GLY A 4 -11.961 17.109 -2.446 1.00 0.00 O ATOM 0 H GLY A 4 -11.989 16.581 1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.267 16.054 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.198 17.598 0.234 1.00 0.00 H new ATOM 57 N ARG A 5 -10.618 18.067 -0.920 1.00 0.00 N ATOM 58 CA ARG A 5 -9.686 18.597 -1.913 1.00 0.00 C ATOM 59 C ARG A 5 -8.368 19.110 -1.323 1.00 0.00 C ATOM 60 O ARG A 5 -7.877 20.143 -1.772 1.00 0.00 O ATOM 61 CB ARG A 5 -10.363 19.659 -2.777 1.00 0.00 C ATOM 62 CG ARG A 5 -11.052 20.723 -1.940 1.00 0.00 C ATOM 63 CD ARG A 5 -11.730 21.676 -2.906 1.00 0.00 C ATOM 64 NE ARG A 5 -10.777 22.557 -3.586 1.00 0.00 N ATOM 65 CZ ARG A 5 -11.121 23.404 -4.559 1.00 0.00 C ATOM 66 NH1 ARG A 5 -12.386 23.485 -4.972 1.00 0.00 N ATOM 67 NH2 ARG A 5 -10.200 24.179 -5.126 1.00 0.00 N ATOM 0 H ARG A 5 -10.380 18.296 0.045 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.407 17.753 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.620 20.130 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.094 19.182 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.781 20.272 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.330 21.253 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.284 21.102 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.457 22.281 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.798 22.521 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.101 22.897 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.639 24.135 -5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.229 24.127 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.465 24.825 -5.869 1.00 0.00 H new ATOM 81 N PRO A 6 -7.768 18.433 -0.332 1.00 0.00 N ATOM 82 CA PRO A 6 -6.472 18.841 0.177 1.00 0.00 C ATOM 83 C PRO A 6 -5.453 18.638 -0.945 1.00 0.00 C ATOM 84 O PRO A 6 -5.390 17.547 -1.511 1.00 0.00 O ATOM 85 CB PRO A 6 -6.196 17.937 1.378 1.00 0.00 C ATOM 86 CG PRO A 6 -7.019 16.684 1.079 1.00 0.00 C ATOM 87 CD PRO A 6 -8.234 17.232 0.333 1.00 0.00 C ATOM 0 HA PRO A 6 -6.424 19.885 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.135 17.707 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.504 18.406 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.461 15.972 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.308 16.165 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.613 16.506 -0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.050 17.455 1.021 1.00 0.00 H new ATOM 95 N PRO A 7 -4.654 19.662 -1.277 1.00 0.00 N ATOM 96 CA PRO A 7 -3.790 19.662 -2.448 1.00 0.00 C ATOM 97 C PRO A 7 -2.652 18.651 -2.302 1.00 0.00 C ATOM 98 O PRO A 7 -1.774 18.827 -1.457 1.00 0.00 O ATOM 99 CB PRO A 7 -3.261 21.093 -2.560 1.00 0.00 C ATOM 100 CG PRO A 7 -3.318 21.613 -1.122 1.00 0.00 C ATOM 101 CD PRO A 7 -4.554 20.917 -0.555 1.00 0.00 C ATOM 0 HA PRO A 7 -4.329 19.364 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.245 21.115 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.875 21.696 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.418 21.356 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.415 22.698 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.452 20.747 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.447 21.525 -0.698 1.00 0.00 H new ATOM 109 N PRO A 8 -2.656 17.593 -3.124 1.00 0.00 N ATOM 110 CA PRO A 8 -1.608 16.593 -3.170 1.00 0.00 C ATOM 111 C PRO A 8 -0.532 17.027 -4.164 1.00 0.00 C ATOM 112 O PRO A 8 -0.454 18.198 -4.533 1.00 0.00 O ATOM 113 CB PRO A 8 -2.327 15.345 -3.669 1.00 0.00 C ATOM 114 CG PRO A 8 -3.264 15.936 -4.723 1.00 0.00 C ATOM 115 CD PRO A 8 -3.688 17.262 -4.093 1.00 0.00 C ATOM 0 HA PRO A 8 -1.112 16.436 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.637 14.617 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.872 14.839 -2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.758 16.085 -5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.119 15.287 -4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.778 18.042 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.661 17.171 -3.611 1.00 0.00 H new ATOM 123 N ASP A 9 0.303 16.081 -4.603 1.00 0.00 N ATOM 124 CA ASP A 9 1.323 16.319 -5.608 1.00 0.00 C ATOM 125 C ASP A 9 1.375 15.139 -6.582 1.00 0.00 C ATOM 126 O ASP A 9 2.437 14.794 -7.093 1.00 0.00 O ATOM 127 CB ASP A 9 2.665 16.589 -4.926 1.00 0.00 C ATOM 128 CG ASP A 9 3.720 17.079 -5.912 1.00 0.00 C ATOM 129 OD1 ASP A 9 3.368 17.928 -6.764 1.00 0.00 O ATOM 130 OD2 ASP A 9 4.874 16.608 -5.811 1.00 0.00 O ATOM 0 H ASP A 9 0.283 15.120 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 9 1.079 17.205 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.529 17.333 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.016 15.677 -4.443 1.00 0.00 H new ATOM 135 N VAL A 10 0.213 14.518 -6.833 1.00 0.00 N ATOM 136 CA VAL A 10 0.046 13.358 -7.707 1.00 0.00 C ATOM 137 C VAL A 10 0.537 13.596 -9.138 1.00 0.00 C ATOM 138 O VAL A 10 0.475 12.690 -9.964 1.00 0.00 O ATOM 139 CB VAL A 10 -1.428 12.925 -7.745 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.935 12.488 -6.370 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.318 14.065 -8.249 1.00 0.00 C ATOM 0 H VAL A 10 -0.666 14.825 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 10 0.666 12.570 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.481 12.076 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.981 12.191 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.343 11.645 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.843 13.317 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.357 13.735 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.222 14.923 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.010 14.349 -9.255 1.00 0.00 H new ATOM 151 N GLU A 11 1.022 14.803 -9.438 1.00 0.00 N ATOM 152 CA GLU A 11 1.508 15.165 -10.764 1.00 0.00 C ATOM 153 C GLU A 11 3.033 15.233 -10.775 1.00 0.00 C ATOM 154 O GLU A 11 3.633 15.662 -11.759 1.00 0.00 O ATOM 155 CB GLU A 11 0.903 16.504 -11.180 1.00 0.00 C ATOM 156 CG GLU A 11 -0.623 16.430 -11.166 1.00 0.00 C ATOM 157 CD GLU A 11 -1.232 17.739 -11.670 1.00 0.00 C ATOM 158 OE1 GLU A 11 -1.425 17.850 -12.902 1.00 0.00 O ATOM 159 OE2 GLU A 11 -1.504 18.618 -10.821 1.00 0.00 O ATOM 0 H GLU A 11 1.087 15.561 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 11 1.202 14.401 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.241 17.288 -10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.251 16.772 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.958 15.603 -11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.973 16.226 -10.154 1.00 0.00 H new ATOM 166 N GLY A 12 3.665 14.814 -9.674 1.00 0.00 N ATOM 167 CA GLY A 12 5.111 14.820 -9.534 1.00 0.00 C ATOM 168 C GLY A 12 5.583 13.837 -8.468 1.00 0.00 C ATOM 169 O GLY A 12 6.713 13.941 -7.993 1.00 0.00 O ATOM 0 H GLY A 12 3.176 14.459 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.569 14.567 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.447 15.824 -9.276 1.00 0.00 H new ATOM 173 N MET A 13 4.728 12.879 -8.087 1.00 0.00 N ATOM 174 CA MET A 13 5.073 11.885 -7.073 1.00 0.00 C ATOM 175 C MET A 13 4.519 10.509 -7.450 1.00 0.00 C ATOM 176 O MET A 13 3.728 10.394 -8.385 1.00 0.00 O ATOM 177 CB MET A 13 4.573 12.353 -5.705 1.00 0.00 C ATOM 178 CG MET A 13 3.063 12.163 -5.546 1.00 0.00 C ATOM 179 SD MET A 13 2.355 13.011 -4.112 1.00 0.00 S ATOM 180 CE MET A 13 0.749 12.174 -4.023 1.00 0.00 C ATOM 0 H MET A 13 3.789 12.775 -8.471 1.00 0.00 H new ATOM 0 HA MET A 13 6.157 11.783 -7.019 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.092 11.800 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.821 13.406 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.566 12.521 -6.448 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.849 11.097 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.045 12.884 -4.257 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.726 11.354 -4.740 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.599 11.781 -3.018 1.00 0.00 H new ATOM 190 N THR A 14 4.937 9.466 -6.725 1.00 0.00 N ATOM 191 CA THR A 14 4.476 8.105 -6.962 1.00 0.00 C ATOM 192 C THR A 14 2.966 8.031 -6.734 1.00 0.00 C ATOM 193 O THR A 14 2.368 8.949 -6.178 1.00 0.00 O ATOM 194 CB THR A 14 5.266 7.142 -6.059 1.00 0.00 C ATOM 195 OG1 THR A 14 6.625 7.217 -6.424 1.00 0.00 O ATOM 196 CG2 THR A 14 4.846 5.674 -6.166 1.00 0.00 C ATOM 0 H THR A 14 5.605 9.548 -5.958 1.00 0.00 H new ATOM 0 HA THR A 14 4.657 7.806 -7.994 1.00 0.00 H new ATOM 0 HB THR A 14 5.068 7.455 -5.034 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.102 7.796 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.457 5.071 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.796 5.575 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.985 5.330 -7.191 1.00 0.00 H new ATOM 203 N SER A 15 2.351 6.931 -7.169 1.00 0.00 N ATOM 204 CA SER A 15 0.922 6.698 -7.026 1.00 0.00 C ATOM 205 C SER A 15 0.680 5.206 -6.852 1.00 0.00 C ATOM 206 O SER A 15 0.006 4.588 -7.674 1.00 0.00 O ATOM 207 CB SER A 15 0.159 7.246 -8.233 1.00 0.00 C ATOM 208 OG SER A 15 0.165 8.657 -8.230 1.00 0.00 O ATOM 0 H SER A 15 2.842 6.169 -7.636 1.00 0.00 H new ATOM 0 HA SER A 15 0.553 7.224 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.612 6.878 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.868 6.882 -8.216 1.00 0.00 H new ATOM 0 HG SER A 15 0.734 8.980 -7.501 1.00 0.00 H new ATOM 214 N LEU A 16 1.230 4.619 -5.784 1.00 0.00 N ATOM 215 CA LEU A 16 1.014 3.199 -5.522 1.00 0.00 C ATOM 216 C LEU A 16 -0.473 2.979 -5.275 1.00 0.00 C ATOM 217 O LEU A 16 -1.153 3.920 -4.867 1.00 0.00 O ATOM 218 CB LEU A 16 1.779 2.777 -4.264 1.00 0.00 C ATOM 219 CG LEU A 16 1.821 1.257 -4.058 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.772 0.598 -5.055 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.306 0.952 -2.646 1.00 0.00 C ATOM 0 H LEU A 16 1.817 5.097 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 16 1.362 2.614 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.799 3.157 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.316 3.242 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 16 0.817 0.862 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.784 -0.479 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.435 0.804 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.777 0.998 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.337 -0.127 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.305 1.366 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.624 1.399 -1.923 1.00 0.00 H new ATOM 233 N LYS A 17 -0.970 1.761 -5.510 1.00 0.00 N ATOM 234 CA LYS A 17 -2.346 1.422 -5.189 1.00 0.00 C ATOM 235 C LYS A 17 -2.391 0.160 -4.334 1.00 0.00 C ATOM 236 O LYS A 17 -1.594 -0.757 -4.531 1.00 0.00 O ATOM 237 CB LYS A 17 -3.185 1.285 -6.466 1.00 0.00 C ATOM 238 CG LYS A 17 -3.088 -0.110 -7.084 1.00 0.00 C ATOM 239 CD LYS A 17 -3.870 -0.196 -8.390 1.00 0.00 C ATOM 240 CE LYS A 17 -3.882 -1.648 -8.865 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.903 -2.435 -8.153 1.00 0.00 N ATOM 0 H LYS A 17 -0.434 0.997 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.785 2.231 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.228 1.506 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.855 2.025 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.042 -0.356 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.471 -0.849 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.889 0.161 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.414 0.444 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.077 -1.681 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.900 -2.093 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.585 -3.422 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.049 -2.036 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.797 -2.404 -8.683 1.00 0.00 H new ATOM 255 N VAL A 18 -3.322 0.115 -3.384 1.00 0.00 N ATOM 256 CA VAL A 18 -3.550 -1.087 -2.587 1.00 0.00 C ATOM 257 C VAL A 18 -5.039 -1.423 -2.641 1.00 0.00 C ATOM 258 O VAL A 18 -5.864 -0.523 -2.798 1.00 0.00 O ATOM 259 CB VAL A 18 -3.107 -0.900 -1.128 1.00 0.00 C ATOM 260 CG1 VAL A 18 -1.909 0.045 -1.004 1.00 0.00 C ATOM 261 CG2 VAL A 18 -4.263 -0.379 -0.279 1.00 0.00 C ATOM 0 H VAL A 18 -3.931 0.898 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.955 -1.901 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.799 -1.880 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.632 0.146 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.066 -0.360 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.174 1.023 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.930 -0.253 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.599 0.581 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.087 -1.092 -0.309 1.00 0.00 H new ATOM 271 N ASP A 19 -5.367 -2.710 -2.502 1.00 0.00 N ATOM 272 CA ASP A 19 -6.723 -3.226 -2.580 1.00 0.00 C ATOM 273 C ASP A 19 -6.850 -4.490 -1.724 1.00 0.00 C ATOM 274 O ASP A 19 -5.932 -4.830 -0.975 1.00 0.00 O ATOM 275 CB ASP A 19 -7.035 -3.580 -4.038 1.00 0.00 C ATOM 276 CG ASP A 19 -6.880 -2.385 -4.973 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.844 -1.590 -5.050 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.803 -2.278 -5.603 1.00 0.00 O ATOM 0 H ASP A 19 -4.673 -3.436 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.419 -2.471 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.372 -4.381 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.054 -3.961 -4.106 1.00 0.00 H new ATOM 283 N ASN A 20 -7.994 -5.182 -1.847 1.00 0.00 N ATOM 284 CA ASN A 20 -8.244 -6.496 -1.254 1.00 0.00 C ATOM 285 C ASN A 20 -8.679 -6.419 0.216 1.00 0.00 C ATOM 286 O ASN A 20 -8.437 -7.349 0.982 1.00 0.00 O ATOM 287 CB ASN A 20 -7.025 -7.413 -1.446 1.00 0.00 C ATOM 288 CG ASN A 20 -7.365 -8.706 -2.165 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.227 -8.747 -3.036 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.676 -9.780 -1.789 1.00 0.00 N ATOM 0 H ASN A 20 -8.790 -4.829 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.089 -6.933 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.261 -6.879 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.596 -7.647 -0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.857 -10.682 -2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.967 -9.702 -1.060 1.00 0.00 H new ATOM 297 N LEU A 21 -9.320 -5.314 0.610 1.00 0.00 N ATOM 298 CA LEU A 21 -9.775 -5.087 1.976 1.00 0.00 C ATOM 299 C LEU A 21 -10.607 -6.275 2.438 1.00 0.00 C ATOM 300 O LEU A 21 -11.580 -6.653 1.789 1.00 0.00 O ATOM 301 CB LEU A 21 -10.621 -3.808 2.036 1.00 0.00 C ATOM 302 CG LEU A 21 -9.825 -2.497 1.968 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.448 -2.068 3.380 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.552 -2.582 1.127 1.00 0.00 C ATOM 0 H LEU A 21 -9.538 -4.545 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.911 -4.974 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.335 -3.824 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.199 -3.816 2.960 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.475 -1.770 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.882 -1.137 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.353 -1.917 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.838 -2.843 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.049 -1.615 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.888 -3.338 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.810 -2.853 0.103 1.00 0.00 H new ATOM 316 N THR A 22 -10.212 -6.860 3.565 1.00 0.00 N ATOM 317 CA THR A 22 -10.905 -8.002 4.126 1.00 0.00 C ATOM 318 C THR A 22 -12.213 -7.544 4.779 1.00 0.00 C ATOM 319 O THR A 22 -12.440 -6.344 4.950 1.00 0.00 O ATOM 320 CB THR A 22 -9.965 -8.690 5.118 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.696 -8.850 4.521 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.459 -10.077 5.522 1.00 0.00 C ATOM 0 H THR A 22 -9.405 -6.553 4.109 1.00 0.00 H new ATOM 0 HA THR A 22 -11.174 -8.720 3.352 1.00 0.00 H new ATOM 0 HB THR A 22 -9.922 -8.060 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.004 -8.513 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.757 -10.522 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.439 -9.992 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.534 -10.709 4.637 1.00 0.00 H new ATOM 329 N TYR A 23 -13.080 -8.491 5.143 1.00 0.00 N ATOM 330 CA TYR A 23 -14.373 -8.226 5.765 1.00 0.00 C ATOM 331 C TYR A 23 -14.244 -7.589 7.158 1.00 0.00 C ATOM 332 O TYR A 23 -15.238 -7.457 7.874 1.00 0.00 O ATOM 333 CB TYR A 23 -15.145 -9.546 5.855 1.00 0.00 C ATOM 334 CG TYR A 23 -14.481 -10.582 6.737 1.00 0.00 C ATOM 335 CD1 TYR A 23 -13.518 -11.449 6.201 1.00 0.00 C ATOM 336 CD2 TYR A 23 -14.824 -10.671 8.096 1.00 0.00 C ATOM 337 CE1 TYR A 23 -12.892 -12.400 7.021 1.00 0.00 C ATOM 338 CE2 TYR A 23 -14.199 -11.617 8.923 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.230 -12.487 8.386 1.00 0.00 C ATOM 340 OH TYR A 23 -12.614 -13.409 9.184 1.00 0.00 O ATOM 0 H TYR A 23 -12.896 -9.485 5.009 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.908 -7.505 5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.146 -9.345 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.262 -9.957 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.258 -11.385 5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -15.572 -10.009 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.150 -13.066 6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.460 -11.678 9.969 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.962 -13.335 10.097 1.00 0.00 H new ATOM 350 N ARG A 24 -13.026 -7.202 7.546 1.00 0.00 N ATOM 351 CA ARG A 24 -12.703 -6.703 8.879 1.00 0.00 C ATOM 352 C ARG A 24 -11.831 -5.452 8.807 1.00 0.00 C ATOM 353 O ARG A 24 -11.208 -5.083 9.800 1.00 0.00 O ATOM 354 CB ARG A 24 -11.981 -7.827 9.626 1.00 0.00 C ATOM 355 CG ARG A 24 -10.656 -8.144 8.927 1.00 0.00 C ATOM 356 CD ARG A 24 -10.059 -9.431 9.475 1.00 0.00 C ATOM 357 NE ARG A 24 -8.789 -9.744 8.803 1.00 0.00 N ATOM 358 CZ ARG A 24 -7.692 -10.197 9.416 1.00 0.00 C ATOM 359 NH1 ARG A 24 -7.682 -10.427 10.726 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.590 -10.420 8.707 1.00 0.00 N ATOM 0 H ARG A 24 -12.219 -7.229 6.923 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.615 -6.418 9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.797 -7.530 10.659 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.609 -8.718 9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.818 -8.240 7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.956 -7.321 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.894 -9.333 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.762 -10.252 9.335 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.742 -9.605 7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.522 -10.258 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.835 -10.773 11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.586 -10.245 7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.748 -10.766 9.168 1.00 0.00 H new ATOM 374 N THR A 25 -11.781 -4.805 7.641 1.00 0.00 N ATOM 375 CA THR A 25 -10.868 -3.691 7.405 1.00 0.00 C ATOM 376 C THR A 25 -11.616 -2.413 7.030 1.00 0.00 C ATOM 377 O THR A 25 -12.805 -2.453 6.713 1.00 0.00 O ATOM 378 CB THR A 25 -9.859 -4.094 6.320 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.511 -5.454 6.456 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.572 -3.280 6.451 1.00 0.00 C ATOM 0 H THR A 25 -12.369 -5.038 6.841 1.00 0.00 H new ATOM 0 HA THR A 25 -10.333 -3.470 8.328 1.00 0.00 H new ATOM 0 HB THR A 25 -10.328 -3.910 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.756 -5.659 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.870 -3.581 5.673 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.800 -2.219 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.127 -3.458 7.430 1.00 0.00 H new ATOM 387 N SER A 26 -10.914 -1.276 7.063 1.00 0.00 N ATOM 388 CA SER A 26 -11.469 0.044 6.786 1.00 0.00 C ATOM 389 C SER A 26 -10.356 0.953 6.254 1.00 0.00 C ATOM 390 O SER A 26 -9.180 0.617 6.391 1.00 0.00 O ATOM 391 CB SER A 26 -12.051 0.591 8.092 1.00 0.00 C ATOM 392 OG SER A 26 -11.014 0.878 9.007 1.00 0.00 O ATOM 0 H SER A 26 -9.920 -1.252 7.289 1.00 0.00 H new ATOM 0 HA SER A 26 -12.255 -0.005 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.628 1.493 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.737 -0.137 8.526 1.00 0.00 H new ATOM 0 HG SER A 26 -11.398 1.228 9.838 1.00 0.00 H new ATOM 398 N PRO A 27 -10.687 2.102 5.649 1.00 0.00 N ATOM 399 CA PRO A 27 -9.698 2.998 5.069 1.00 0.00 C ATOM 400 C PRO A 27 -8.842 3.666 6.144 1.00 0.00 C ATOM 401 O PRO A 27 -7.685 3.989 5.899 1.00 0.00 O ATOM 402 CB PRO A 27 -10.504 4.031 4.275 1.00 0.00 C ATOM 403 CG PRO A 27 -11.867 4.048 4.962 1.00 0.00 C ATOM 404 CD PRO A 27 -12.035 2.614 5.463 1.00 0.00 C ATOM 0 HA PRO A 27 -8.996 2.459 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.031 5.013 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.590 3.749 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.893 4.765 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.661 4.326 4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.596 2.589 6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.587 2.010 4.743 1.00 0.00 H new ATOM 412 N ASP A 28 -9.405 3.868 7.339 1.00 0.00 N ATOM 413 CA ASP A 28 -8.662 4.498 8.423 1.00 0.00 C ATOM 414 C ASP A 28 -7.572 3.560 8.924 1.00 0.00 C ATOM 415 O ASP A 28 -6.480 3.996 9.282 1.00 0.00 O ATOM 416 CB ASP A 28 -9.600 4.835 9.580 1.00 0.00 C ATOM 417 CG ASP A 28 -8.892 5.685 10.630 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.592 6.856 10.312 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.657 5.160 11.741 1.00 0.00 O ATOM 0 H ASP A 28 -10.362 3.606 7.574 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.210 5.414 8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.472 5.369 9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.964 3.915 10.037 1.00 0.00 H new ATOM 424 N THR A 29 -7.871 2.258 8.948 1.00 0.00 N ATOM 425 CA THR A 29 -6.872 1.273 9.317 1.00 0.00 C ATOM 426 C THR A 29 -5.864 1.156 8.180 1.00 0.00 C ATOM 427 O THR A 29 -4.668 1.085 8.422 1.00 0.00 O ATOM 428 CB THR A 29 -7.538 -0.075 9.588 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.430 0.033 10.680 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.484 -1.122 9.915 1.00 0.00 C ATOM 0 H THR A 29 -8.787 1.873 8.718 1.00 0.00 H new ATOM 0 HA THR A 29 -6.360 1.583 10.228 1.00 0.00 H new ATOM 0 HB THR A 29 -8.087 -0.373 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.312 0.313 10.356 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.969 -2.079 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.799 -1.224 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.927 -0.814 10.800 1.00 0.00 H new ATOM 437 N LEU A 30 -6.333 1.138 6.931 1.00 0.00 N ATOM 438 CA LEU A 30 -5.432 1.052 5.789 1.00 0.00 C ATOM 439 C LEU A 30 -4.386 2.160 5.828 1.00 0.00 C ATOM 440 O LEU A 30 -3.297 2.007 5.277 1.00 0.00 O ATOM 441 CB LEU A 30 -6.258 1.140 4.504 1.00 0.00 C ATOM 442 CG LEU A 30 -6.072 -0.077 3.592 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.631 -0.206 3.111 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.431 -1.363 4.332 1.00 0.00 C ATOM 0 H LEU A 30 -7.323 1.182 6.689 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.900 0.101 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.313 1.237 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.979 2.042 3.959 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.731 0.072 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.539 -1.081 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.353 0.687 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.969 -0.317 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.292 -2.216 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.786 -1.473 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.471 -1.319 4.654 1.00 0.00 H new ATOM 456 N ARG A 31 -4.707 3.279 6.481 1.00 0.00 N ATOM 457 CA ARG A 31 -3.801 4.409 6.569 1.00 0.00 C ATOM 458 C ARG A 31 -2.753 4.144 7.632 1.00 0.00 C ATOM 459 O ARG A 31 -1.563 4.216 7.345 1.00 0.00 O ATOM 460 CB ARG A 31 -4.600 5.664 6.923 1.00 0.00 C ATOM 461 CG ARG A 31 -3.688 6.872 7.171 1.00 0.00 C ATOM 462 CD ARG A 31 -2.761 7.164 5.993 1.00 0.00 C ATOM 463 NE ARG A 31 -1.850 8.271 6.313 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.700 9.381 5.590 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.413 9.592 4.483 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.816 10.294 5.984 1.00 0.00 N ATOM 0 H ARG A 31 -5.598 3.420 6.958 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.301 4.555 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.294 5.893 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.200 5.473 7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.302 7.750 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.089 6.692 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.185 6.272 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.352 7.415 5.112 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.286 8.183 7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.091 8.896 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.280 10.449 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.265 10.139 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.689 11.149 5.442 1.00 0.00 H new ATOM 480 N ARG A 32 -3.179 3.830 8.863 1.00 0.00 N ATOM 481 CA ARG A 32 -2.231 3.605 9.949 1.00 0.00 C ATOM 482 C ARG A 32 -1.333 2.411 9.639 1.00 0.00 C ATOM 483 O ARG A 32 -0.187 2.362 10.075 1.00 0.00 O ATOM 484 CB ARG A 32 -2.995 3.385 11.260 1.00 0.00 C ATOM 485 CG ARG A 32 -3.368 1.910 11.398 1.00 0.00 C ATOM 486 CD ARG A 32 -4.191 1.653 12.644 1.00 0.00 C ATOM 487 NE ARG A 32 -3.441 1.952 13.870 1.00 0.00 N ATOM 488 CZ ARG A 32 -2.627 1.091 14.486 1.00 0.00 C ATOM 489 NH1 ARG A 32 -2.430 -0.135 14.002 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.997 1.457 15.599 1.00 0.00 N ATOM 0 H ARG A 32 -4.160 3.728 9.124 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.594 4.483 10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.382 3.696 12.106 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.895 4.000 11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.930 1.593 10.519 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.461 1.307 11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.094 2.262 12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.510 0.611 12.659 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.549 2.880 14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.904 -0.429 13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.805 -0.780 14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.136 2.393 15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.375 0.802 16.072 1.00 0.00 H new ATOM 504 N VAL A 33 -1.867 1.447 8.881 1.00 0.00 N ATOM 505 CA VAL A 33 -1.195 0.187 8.615 1.00 0.00 C ATOM 506 C VAL A 33 -0.120 0.358 7.542 1.00 0.00 C ATOM 507 O VAL A 33 0.902 -0.319 7.588 1.00 0.00 O ATOM 508 CB VAL A 33 -2.234 -0.844 8.157 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.587 -2.113 7.613 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.115 -1.226 9.340 1.00 0.00 C ATOM 0 H VAL A 33 -2.782 1.527 8.437 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.707 -0.156 9.528 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.817 -0.387 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.363 -2.812 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.959 -1.863 6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.976 -2.572 8.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.856 -1.959 9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.498 -1.655 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.622 -0.338 9.717 1.00 0.00 H new ATOM 520 N PHE A 34 -0.339 1.258 6.581 1.00 0.00 N ATOM 521 CA PHE A 34 0.608 1.497 5.502 1.00 0.00 C ATOM 522 C PHE A 34 1.421 2.773 5.719 1.00 0.00 C ATOM 523 O PHE A 34 2.384 3.019 4.996 1.00 0.00 O ATOM 524 CB PHE A 34 -0.179 1.547 4.191 1.00 0.00 C ATOM 525 CG PHE A 34 -0.427 0.188 3.567 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.501 -0.596 4.006 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.417 -0.295 2.553 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.747 -1.844 3.417 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.174 -1.544 1.966 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.916 -2.317 2.390 1.00 0.00 C ATOM 0 H PHE A 34 -1.177 1.838 6.533 1.00 0.00 H new ATOM 0 HA PHE A 34 1.337 0.687 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.138 2.032 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.362 2.169 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.141 -0.239 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.257 0.299 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.579 -2.444 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.826 -1.911 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.115 -3.273 1.928 1.00 0.00 H new ATOM 540 N GLU A 35 1.056 3.593 6.705 1.00 0.00 N ATOM 541 CA GLU A 35 1.801 4.805 7.011 1.00 0.00 C ATOM 542 C GLU A 35 3.127 4.480 7.695 1.00 0.00 C ATOM 543 O GLU A 35 4.067 5.270 7.612 1.00 0.00 O ATOM 544 CB GLU A 35 0.924 5.693 7.893 1.00 0.00 C ATOM 545 CG GLU A 35 1.655 6.943 8.368 1.00 0.00 C ATOM 546 CD GLU A 35 0.689 7.942 9.005 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.150 8.780 8.247 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.495 7.856 10.238 1.00 0.00 O ATOM 0 H GLU A 35 0.246 3.435 7.304 1.00 0.00 H new ATOM 0 HA GLU A 35 2.047 5.331 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.033 5.986 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.587 5.122 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.423 6.666 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.164 7.412 7.526 1.00 0.00 H new ATOM 555 N LYS A 36 3.218 3.332 8.375 1.00 0.00 N ATOM 556 CA LYS A 36 4.431 2.958 9.093 1.00 0.00 C ATOM 557 C LYS A 36 5.581 2.641 8.142 1.00 0.00 C ATOM 558 O LYS A 36 6.745 2.728 8.528 1.00 0.00 O ATOM 559 CB LYS A 36 4.150 1.769 10.015 1.00 0.00 C ATOM 560 CG LYS A 36 3.777 0.503 9.243 1.00 0.00 C ATOM 561 CD LYS A 36 3.460 -0.614 10.236 1.00 0.00 C ATOM 562 CE LYS A 36 3.105 -1.895 9.483 1.00 0.00 C ATOM 563 NZ LYS A 36 2.814 -2.996 10.421 1.00 0.00 N ATOM 0 H LYS A 36 2.463 2.649 8.440 1.00 0.00 H new ATOM 0 HA LYS A 36 4.738 3.813 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.031 1.571 10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.340 2.026 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.915 0.693 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.598 0.205 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.318 -0.789 10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.630 -0.317 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.239 -1.718 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.930 -2.178 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.576 -3.855 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.650 -3.178 11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.011 -2.732 11.027 1.00 0.00 H new ATOM 577 N TYR A 37 5.263 2.273 6.897 1.00 0.00 N ATOM 578 CA TYR A 37 6.274 2.000 5.878 1.00 0.00 C ATOM 579 C TYR A 37 6.930 3.288 5.391 1.00 0.00 C ATOM 580 O TYR A 37 7.990 3.242 4.773 1.00 0.00 O ATOM 581 CB TYR A 37 5.642 1.241 4.715 1.00 0.00 C ATOM 582 CG TYR A 37 5.194 -0.149 5.111 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.959 -0.336 5.743 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.024 -1.250 4.849 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.555 -1.614 6.137 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.622 -2.535 5.238 1.00 0.00 C ATOM 587 CZ TYR A 37 4.388 -2.723 5.886 1.00 0.00 C ATOM 588 OH TYR A 37 4.007 -3.975 6.275 1.00 0.00 O ATOM 0 H TYR A 37 4.303 2.157 6.571 1.00 0.00 H new ATOM 0 HA TYR A 37 7.055 1.383 6.322 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.787 1.803 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.360 1.170 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.316 0.512 5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.970 -1.107 4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.606 -1.752 6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.261 -3.383 5.040 1.00 0.00 H new ATOM 0 HH TYR A 37 4.699 -4.621 6.022 1.00 0.00 H new ATOM 598 N GLY A 38 6.312 4.438 5.666 1.00 0.00 N ATOM 599 CA GLY A 38 6.906 5.734 5.372 1.00 0.00 C ATOM 600 C GLY A 38 5.865 6.842 5.416 1.00 0.00 C ATOM 601 O GLY A 38 5.758 7.548 6.417 1.00 0.00 O ATOM 0 H GLY A 38 5.389 4.492 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.696 5.946 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.371 5.708 4.387 1.00 0.00 H new ATOM 605 N ARG A 39 5.097 6.989 4.331 1.00 0.00 N ATOM 606 CA ARG A 39 4.011 7.953 4.263 1.00 0.00 C ATOM 607 C ARG A 39 3.064 7.607 3.124 1.00 0.00 C ATOM 608 O ARG A 39 3.420 6.859 2.217 1.00 0.00 O ATOM 609 CB ARG A 39 4.558 9.375 4.107 1.00 0.00 C ATOM 610 CG ARG A 39 5.603 9.510 2.997 1.00 0.00 C ATOM 611 CD ARG A 39 5.942 10.990 2.800 1.00 0.00 C ATOM 612 NE ARG A 39 6.576 11.558 3.997 1.00 0.00 N ATOM 613 CZ ARG A 39 7.879 11.482 4.275 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.725 10.871 3.450 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.351 12.025 5.393 1.00 0.00 N ATOM 0 H ARG A 39 5.217 6.440 3.480 1.00 0.00 H new ATOM 0 HA ARG A 39 3.451 7.909 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.730 10.053 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.000 9.691 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.502 8.951 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.221 9.086 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.609 11.101 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.033 11.546 2.569 1.00 0.00 H new ATOM 0 HE ARG A 39 5.977 12.046 4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.381 10.450 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.717 10.824 3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.717 12.499 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.347 11.968 5.607 1.00 0.00 H new ATOM 629 N VAL A 40 1.857 8.166 3.189 1.00 0.00 N ATOM 630 CA VAL A 40 0.782 7.908 2.245 1.00 0.00 C ATOM 631 C VAL A 40 0.120 9.241 1.906 1.00 0.00 C ATOM 632 O VAL A 40 0.038 10.115 2.765 1.00 0.00 O ATOM 633 CB VAL A 40 -0.226 6.948 2.889 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.395 6.646 1.963 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.442 5.621 3.245 1.00 0.00 C ATOM 0 H VAL A 40 1.597 8.828 3.921 1.00 0.00 H new ATOM 0 HA VAL A 40 1.161 7.450 1.331 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.594 7.446 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.085 5.963 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.915 7.573 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.024 6.186 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.291 4.955 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.839 5.159 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.255 5.800 3.948 1.00 0.00 H new ATOM 645 N GLY A 41 -0.348 9.400 0.664 1.00 0.00 N ATOM 646 CA GLY A 41 -0.960 10.650 0.243 1.00 0.00 C ATOM 647 C GLY A 41 -2.422 10.687 0.667 1.00 0.00 C ATOM 648 O GLY A 41 -2.889 11.697 1.191 1.00 0.00 O ATOM 0 H GLY A 41 -0.312 8.680 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.425 11.492 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.885 10.754 -0.839 1.00 0.00 H new ATOM 652 N ASP A 42 -3.138 9.582 0.443 1.00 0.00 N ATOM 653 CA ASP A 42 -4.525 9.448 0.857 1.00 0.00 C ATOM 654 C ASP A 42 -4.992 8.006 0.707 1.00 0.00 C ATOM 655 O ASP A 42 -4.321 7.187 0.080 1.00 0.00 O ATOM 656 CB ASP A 42 -5.418 10.390 0.036 1.00 0.00 C ATOM 657 CG ASP A 42 -5.335 10.150 -1.471 1.00 0.00 C ATOM 658 OD1 ASP A 42 -5.985 9.200 -1.958 1.00 0.00 O ATOM 659 OD2 ASP A 42 -4.617 10.928 -2.133 1.00 0.00 O ATOM 0 H ASP A 42 -2.767 8.759 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.601 9.724 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.452 10.270 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.136 11.421 0.248 1.00 0.00 H new ATOM 664 N VAL A 43 -6.152 7.721 1.292 1.00 0.00 N ATOM 665 CA VAL A 43 -6.819 6.440 1.157 1.00 0.00 C ATOM 666 C VAL A 43 -8.195 6.711 0.564 1.00 0.00 C ATOM 667 O VAL A 43 -8.746 7.793 0.761 1.00 0.00 O ATOM 668 CB VAL A 43 -6.921 5.733 2.511 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.573 5.578 3.210 1.00 0.00 C ATOM 670 CG2 VAL A 43 -7.876 6.452 3.464 1.00 0.00 C ATOM 0 H VAL A 43 -6.657 8.385 1.879 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.253 5.775 0.505 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.309 4.742 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.714 5.070 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.903 4.991 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.138 6.562 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.917 5.915 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.521 7.468 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.872 6.486 3.023 1.00 0.00 H new ATOM 680 N TYR A 44 -8.761 5.748 -0.162 1.00 0.00 N ATOM 681 CA TYR A 44 -9.992 6.011 -0.879 1.00 0.00 C ATOM 682 C TYR A 44 -10.866 4.765 -1.009 1.00 0.00 C ATOM 683 O TYR A 44 -10.358 3.669 -1.229 1.00 0.00 O ATOM 684 CB TYR A 44 -9.563 6.520 -2.254 1.00 0.00 C ATOM 685 CG TYR A 44 -10.656 7.211 -3.012 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.707 6.448 -3.533 1.00 0.00 C ATOM 687 CD2 TYR A 44 -10.616 8.600 -3.198 1.00 0.00 C ATOM 688 CE1 TYR A 44 -12.755 7.080 -4.207 1.00 0.00 C ATOM 689 CE2 TYR A 44 -11.656 9.234 -3.891 1.00 0.00 C ATOM 690 CZ TYR A 44 -12.747 8.477 -4.365 1.00 0.00 C ATOM 691 OH TYR A 44 -13.788 9.095 -4.976 1.00 0.00 O ATOM 0 H TYR A 44 -8.392 4.803 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.603 6.737 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.727 7.209 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.199 5.679 -2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.708 5.375 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.790 9.177 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.571 6.496 -4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.622 10.300 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 44 -13.625 10.061 -5.002 1.00 0.00 H new ATOM 701 N ILE A 45 -12.187 4.944 -0.874 1.00 0.00 N ATOM 702 CA ILE A 45 -13.184 3.897 -1.086 1.00 0.00 C ATOM 703 C ILE A 45 -14.360 4.525 -1.836 1.00 0.00 C ATOM 704 O ILE A 45 -15.115 5.310 -1.265 1.00 0.00 O ATOM 705 CB ILE A 45 -13.653 3.282 0.247 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.435 2.805 1.041 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.596 2.093 -0.002 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.814 1.959 2.252 1.00 0.00 C ATOM 0 H ILE A 45 -12.596 5.840 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.748 3.084 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.193 4.043 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.785 2.224 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.862 3.670 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.914 1.675 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.470 2.432 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.073 1.328 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.910 1.649 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.440 2.546 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.363 1.077 1.922 1.00 0.00 H new ATOM 720 N PRO A 46 -14.525 4.189 -3.122 1.00 0.00 N ATOM 721 CA PRO A 46 -15.515 4.803 -3.993 1.00 0.00 C ATOM 722 C PRO A 46 -16.939 4.358 -3.681 1.00 0.00 C ATOM 723 O PRO A 46 -17.882 5.059 -4.042 1.00 0.00 O ATOM 724 CB PRO A 46 -15.124 4.356 -5.404 1.00 0.00 C ATOM 725 CG PRO A 46 -14.430 3.019 -5.176 1.00 0.00 C ATOM 726 CD PRO A 46 -13.744 3.197 -3.831 1.00 0.00 C ATOM 0 HA PRO A 46 -15.517 5.886 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.997 4.250 -6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.460 5.076 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.143 2.195 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.712 2.800 -5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.712 2.257 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.713 3.528 -3.958 1.00 0.00 H new ATOM 734 N ARG A 47 -17.092 3.206 -3.019 1.00 0.00 N ATOM 735 CA ARG A 47 -18.380 2.581 -2.719 1.00 0.00 C ATOM 736 C ARG A 47 -19.367 2.781 -3.870 1.00 0.00 C ATOM 737 O ARG A 47 -19.260 2.113 -4.897 1.00 0.00 O ATOM 738 CB ARG A 47 -18.929 3.118 -1.389 1.00 0.00 C ATOM 739 CG ARG A 47 -17.891 3.040 -0.270 1.00 0.00 C ATOM 740 CD ARG A 47 -18.525 3.454 1.057 1.00 0.00 C ATOM 741 NE ARG A 47 -17.561 3.371 2.162 1.00 0.00 N ATOM 742 CZ ARG A 47 -16.691 4.332 2.488 1.00 0.00 C ATOM 743 NH1 ARG A 47 -16.623 5.464 1.792 1.00 0.00 N ATOM 744 NH2 ARG A 47 -15.875 4.162 3.523 1.00 0.00 N ATOM 0 H ARG A 47 -16.299 2.669 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.235 1.506 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.246 4.153 -1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.813 2.547 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.500 2.025 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.047 3.691 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.904 4.473 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.380 2.812 1.269 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.555 2.518 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.241 5.610 0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.952 6.186 2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.913 3.300 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.210 4.894 3.774 1.00 0.00 H new ATOM 758 N ASP A 48 -20.317 3.705 -3.687 1.00 0.00 N ATOM 759 CA ASP A 48 -21.293 4.089 -4.693 1.00 0.00 C ATOM 760 C ASP A 48 -21.561 5.584 -4.612 1.00 0.00 C ATOM 761 O ASP A 48 -22.505 6.082 -5.220 1.00 0.00 O ATOM 762 CB ASP A 48 -22.578 3.289 -4.501 1.00 0.00 C ATOM 763 CG ASP A 48 -22.351 1.796 -4.716 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.008 1.115 -3.723 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.522 1.346 -5.872 1.00 0.00 O ATOM 0 H ASP A 48 -20.424 4.215 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.898 3.868 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.965 3.457 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.336 3.646 -5.198 1.00 0.00 H new ATOM 770 N ARG A 49 -20.716 6.288 -3.855 1.00 0.00 N ATOM 771 CA ARG A 49 -20.778 7.719 -3.587 1.00 0.00 C ATOM 772 C ARG A 49 -22.105 8.233 -3.003 1.00 0.00 C ATOM 773 O ARG A 49 -22.125 9.330 -2.449 1.00 0.00 O ATOM 774 CB ARG A 49 -20.308 8.474 -4.841 1.00 0.00 C ATOM 775 CG ARG A 49 -20.650 9.965 -4.759 1.00 0.00 C ATOM 776 CD ARG A 49 -20.192 10.707 -6.008 1.00 0.00 C ATOM 777 NE ARG A 49 -20.211 12.160 -5.802 1.00 0.00 N ATOM 778 CZ ARG A 49 -19.307 12.816 -5.065 1.00 0.00 C ATOM 779 NH1 ARG A 49 -18.313 12.165 -4.465 1.00 0.00 N ATOM 780 NH2 ARG A 49 -19.391 14.136 -4.922 1.00 0.00 N ATOM 0 H ARG A 49 -19.925 5.844 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 49 -20.095 7.927 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.231 8.352 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.776 8.040 -5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.726 10.087 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.176 10.401 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.184 10.388 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.840 10.448 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.954 12.700 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.233 11.153 -4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.631 12.678 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -20.146 14.651 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.700 14.633 -4.360 1.00 0.00 H new ATOM 794 N TYR A 50 -23.214 7.491 -3.092 1.00 0.00 N ATOM 795 CA TYR A 50 -24.498 7.962 -2.565 1.00 0.00 C ATOM 796 C TYR A 50 -25.335 6.858 -1.911 1.00 0.00 C ATOM 797 O TYR A 50 -26.413 7.141 -1.397 1.00 0.00 O ATOM 798 CB TYR A 50 -25.282 8.659 -3.677 1.00 0.00 C ATOM 799 CG TYR A 50 -25.586 7.772 -4.860 1.00 0.00 C ATOM 800 CD1 TYR A 50 -26.754 7.003 -4.875 1.00 0.00 C ATOM 801 CD2 TYR A 50 -24.689 7.716 -5.937 1.00 0.00 C ATOM 802 CE1 TYR A 50 -27.033 6.166 -5.966 1.00 0.00 C ATOM 803 CE2 TYR A 50 -24.954 6.875 -7.027 1.00 0.00 C ATOM 804 CZ TYR A 50 -26.134 6.101 -7.050 1.00 0.00 C ATOM 805 OH TYR A 50 -26.395 5.290 -8.115 1.00 0.00 O ATOM 0 H TYR A 50 -23.248 6.567 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 50 -24.277 8.671 -1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -26.219 9.035 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -24.715 9.524 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -27.443 7.054 -4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -23.794 8.321 -5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -27.935 5.572 -5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -24.255 6.819 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 50 -25.672 5.369 -8.771 1.00 0.00 H new ATOM 815 N THR A 51 -24.853 5.609 -1.923 1.00 0.00 N ATOM 816 CA THR A 51 -25.501 4.533 -1.175 1.00 0.00 C ATOM 817 C THR A 51 -24.525 3.886 -0.198 1.00 0.00 C ATOM 818 O THR A 51 -24.946 3.246 0.764 1.00 0.00 O ATOM 819 CB THR A 51 -26.079 3.463 -2.105 1.00 0.00 C ATOM 820 OG1 THR A 51 -25.028 2.741 -2.697 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.914 4.072 -3.222 1.00 0.00 C ATOM 0 H THR A 51 -24.022 5.323 -2.440 1.00 0.00 H new ATOM 0 HA THR A 51 -26.322 4.984 -0.618 1.00 0.00 H new ATOM 0 HB THR A 51 -26.715 2.817 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 51 -25.397 2.055 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 51 -27.305 3.278 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.743 4.634 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 51 -26.293 4.741 -3.817 1.00 0.00 H new ATOM 828 N LYS A 52 -23.222 4.062 -0.449 1.00 0.00 N ATOM 829 CA LYS A 52 -22.132 3.628 0.421 1.00 0.00 C ATOM 830 C LYS A 52 -22.259 2.177 0.896 1.00 0.00 C ATOM 831 O LYS A 52 -21.715 1.819 1.938 1.00 0.00 O ATOM 832 CB LYS A 52 -22.012 4.596 1.608 1.00 0.00 C ATOM 833 CG LYS A 52 -21.998 6.064 1.167 1.00 0.00 C ATOM 834 CD LYS A 52 -23.322 6.751 1.511 1.00 0.00 C ATOM 835 CE LYS A 52 -23.264 8.221 1.092 1.00 0.00 C ATOM 836 NZ LYS A 52 -24.515 8.917 1.446 1.00 0.00 N ATOM 0 H LYS A 52 -22.890 4.527 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.218 3.652 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -22.845 4.433 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.098 4.377 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.175 6.586 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -21.821 6.123 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -24.146 6.250 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.515 6.675 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -22.420 8.710 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -23.095 8.291 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -24.453 9.913 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -25.315 8.462 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -24.661 8.868 2.475 1.00 0.00 H new ATOM 850 N GLU A 53 -22.976 1.336 0.146 1.00 0.00 N ATOM 851 CA GLU A 53 -23.258 -0.041 0.531 1.00 0.00 C ATOM 852 C GLU A 53 -22.078 -0.990 0.285 1.00 0.00 C ATOM 853 O GLU A 53 -22.277 -2.201 0.214 1.00 0.00 O ATOM 854 CB GLU A 53 -24.506 -0.531 -0.202 1.00 0.00 C ATOM 855 CG GLU A 53 -24.348 -0.474 -1.719 1.00 0.00 C ATOM 856 CD GLU A 53 -25.578 -1.050 -2.420 1.00 0.00 C ATOM 857 OE1 GLU A 53 -25.603 -2.285 -2.621 1.00 0.00 O ATOM 858 OE2 GLU A 53 -26.488 -0.256 -2.750 1.00 0.00 O ATOM 0 H GLU A 53 -23.379 1.599 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 53 -23.432 -0.048 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -24.723 -1.556 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -25.361 0.077 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.196 0.558 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.460 -1.032 -2.017 1.00 0.00 H new ATOM 865 N SER A 54 -20.857 -0.460 0.151 1.00 0.00 N ATOM 866 CA SER A 54 -19.688 -1.285 -0.135 1.00 0.00 C ATOM 867 C SER A 54 -18.444 -0.796 0.607 1.00 0.00 C ATOM 868 O SER A 54 -18.429 0.294 1.179 1.00 0.00 O ATOM 869 CB SER A 54 -19.449 -1.303 -1.647 1.00 0.00 C ATOM 870 OG SER A 54 -18.405 -2.198 -1.965 1.00 0.00 O ATOM 0 H SER A 54 -20.657 0.537 0.237 1.00 0.00 H new ATOM 0 HA SER A 54 -19.883 -2.297 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.362 -1.600 -2.163 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.197 -0.301 -1.995 1.00 0.00 H new ATOM 0 HG SER A 54 -18.262 -2.203 -2.935 1.00 0.00 H new ATOM 876 N ARG A 55 -17.399 -1.634 0.579 1.00 0.00 N ATOM 877 CA ARG A 55 -16.100 -1.424 1.214 1.00 0.00 C ATOM 878 C ARG A 55 -15.139 -2.569 0.845 1.00 0.00 C ATOM 879 O ARG A 55 -14.156 -2.801 1.545 1.00 0.00 O ATOM 880 CB ARG A 55 -16.275 -1.382 2.740 1.00 0.00 C ATOM 881 CG ARG A 55 -15.116 -0.630 3.400 1.00 0.00 C ATOM 882 CD ARG A 55 -15.021 -0.986 4.884 1.00 0.00 C ATOM 883 NE ARG A 55 -16.236 -0.626 5.626 1.00 0.00 N ATOM 884 CZ ARG A 55 -16.434 -0.934 6.910 1.00 0.00 C ATOM 885 NH1 ARG A 55 -15.507 -1.603 7.594 1.00 0.00 N ATOM 886 NH2 ARG A 55 -17.565 -0.574 7.518 1.00 0.00 N ATOM 0 H ARG A 55 -17.445 -2.525 0.084 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.684 -0.479 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.218 -0.896 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.326 -2.398 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.181 -0.880 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.261 0.444 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.839 -2.056 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.165 -0.474 5.323 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.968 -0.113 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.639 -1.883 7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.665 -1.835 8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.281 -0.062 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.714 -0.810 8.499 1.00 0.00 H new ATOM 900 N GLY A 56 -15.412 -3.294 -0.248 1.00 0.00 N ATOM 901 CA GLY A 56 -14.667 -4.500 -0.597 1.00 0.00 C ATOM 902 C GLY A 56 -13.206 -4.228 -0.948 1.00 0.00 C ATOM 903 O GLY A 56 -12.424 -5.163 -1.101 1.00 0.00 O ATOM 0 H GLY A 56 -16.152 -3.059 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.709 -5.199 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.152 -4.986 -1.443 1.00 0.00 H new ATOM 907 N PHE A 57 -12.836 -2.952 -1.079 1.00 0.00 N ATOM 908 CA PHE A 57 -11.485 -2.530 -1.399 1.00 0.00 C ATOM 909 C PHE A 57 -11.302 -1.074 -0.980 1.00 0.00 C ATOM 910 O PHE A 57 -12.276 -0.368 -0.738 1.00 0.00 O ATOM 911 CB PHE A 57 -11.230 -2.707 -2.899 1.00 0.00 C ATOM 912 CG PHE A 57 -12.019 -1.793 -3.815 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.421 -1.782 -3.800 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.328 -0.948 -4.699 1.00 0.00 C ATOM 915 CE1 PHE A 57 -14.130 -0.950 -4.675 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.037 -0.112 -5.572 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.440 -0.114 -5.561 1.00 0.00 C ATOM 0 H PHE A 57 -13.485 -2.174 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.764 -3.143 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.168 -2.551 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.454 -3.740 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.956 -2.418 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.248 -0.943 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.210 -0.953 -4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.503 0.534 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.987 0.529 -6.235 1.00 0.00 H new ATOM 927 N ALA A 58 -10.049 -0.628 -0.893 1.00 0.00 N ATOM 928 CA ALA A 58 -9.739 0.748 -0.550 1.00 0.00 C ATOM 929 C ALA A 58 -8.458 1.142 -1.270 1.00 0.00 C ATOM 930 O ALA A 58 -7.362 0.878 -0.782 1.00 0.00 O ATOM 931 CB ALA A 58 -9.598 0.919 0.971 1.00 0.00 C ATOM 0 H ALA A 58 -9.229 -1.211 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.553 1.401 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.366 1.959 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.533 0.640 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.795 0.279 1.336 1.00 0.00 H new ATOM 937 N PHE A 59 -8.614 1.774 -2.439 1.00 0.00 N ATOM 938 CA PHE A 59 -7.509 2.253 -3.254 1.00 0.00 C ATOM 939 C PHE A 59 -6.724 3.269 -2.431 1.00 0.00 C ATOM 940 O PHE A 59 -7.085 4.445 -2.362 1.00 0.00 O ATOM 941 CB PHE A 59 -8.074 2.822 -4.568 1.00 0.00 C ATOM 942 CG PHE A 59 -7.110 3.562 -5.482 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.943 4.944 -5.309 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.403 2.907 -6.514 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.073 5.667 -6.134 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.522 3.633 -7.327 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.346 5.007 -7.131 1.00 0.00 C ATOM 0 H PHE A 59 -9.530 1.966 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.819 1.456 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.508 1.997 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.889 3.501 -4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.491 5.455 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.541 1.848 -6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.963 6.733 -6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.975 3.128 -8.110 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.651 5.557 -7.748 1.00 0.00 H new ATOM 957 N VAL A 60 -5.641 2.811 -1.797 1.00 0.00 N ATOM 958 CA VAL A 60 -4.765 3.720 -1.067 1.00 0.00 C ATOM 959 C VAL A 60 -3.656 4.166 -2.001 1.00 0.00 C ATOM 960 O VAL A 60 -3.257 3.397 -2.873 1.00 0.00 O ATOM 961 CB VAL A 60 -4.213 3.058 0.198 1.00 0.00 C ATOM 962 CG1 VAL A 60 -3.129 3.910 0.855 1.00 0.00 C ATOM 963 CG2 VAL A 60 -5.363 2.835 1.172 1.00 0.00 C ATOM 0 H VAL A 60 -5.356 1.832 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.327 4.593 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.756 2.107 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.763 3.406 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.305 4.053 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.545 4.880 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.985 2.363 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.818 3.793 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.110 2.189 0.711 1.00 0.00 H new ATOM 973 N ARG A 61 -3.169 5.401 -1.813 1.00 0.00 N ATOM 974 CA ARG A 61 -2.254 6.040 -2.740 1.00 0.00 C ATOM 975 C ARG A 61 -0.991 6.529 -2.040 1.00 0.00 C ATOM 976 O ARG A 61 -1.061 7.413 -1.185 1.00 0.00 O ATOM 977 CB ARG A 61 -2.990 7.194 -3.431 1.00 0.00 C ATOM 978 CG ARG A 61 -2.165 7.718 -4.607 1.00 0.00 C ATOM 979 CD ARG A 61 -2.891 8.897 -5.248 1.00 0.00 C ATOM 980 NE ARG A 61 -2.404 9.126 -6.614 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.197 9.406 -7.650 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.508 9.585 -7.480 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.680 9.510 -8.868 1.00 0.00 N ATOM 0 H ARG A 61 -3.406 5.979 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.930 5.313 -3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.964 6.855 -3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.172 7.998 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.178 8.027 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.014 6.927 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.964 8.703 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.739 9.794 -4.647 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.399 9.068 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.917 9.508 -6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.102 9.799 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.679 9.376 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.284 9.724 -9.662 1.00 0.00 H new ATOM 997 N PHE A 62 0.169 5.956 -2.399 1.00 0.00 N ATOM 998 CA PHE A 62 1.454 6.389 -1.841 1.00 0.00 C ATOM 999 C PHE A 62 2.146 7.368 -2.771 1.00 0.00 C ATOM 1000 O PHE A 62 1.793 7.463 -3.946 1.00 0.00 O ATOM 1001 CB PHE A 62 2.438 5.226 -1.681 1.00 0.00 C ATOM 1002 CG PHE A 62 2.293 4.369 -0.449 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.186 3.529 -0.277 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.303 4.414 0.522 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.111 2.707 0.854 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.227 3.588 1.648 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.136 2.734 1.812 1.00 0.00 C ATOM 0 H PHE A 62 0.240 5.193 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 62 1.213 6.834 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.345 4.581 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.449 5.634 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.395 3.515 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.140 5.086 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.263 2.052 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.012 3.611 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.080 2.092 2.679 1.00 0.00 H new ATOM 1017 N HIS A 63 3.135 8.081 -2.215 1.00 0.00 N ATOM 1018 CA HIS A 63 3.878 9.113 -2.922 1.00 0.00 C ATOM 1019 C HIS A 63 5.387 8.954 -2.872 1.00 0.00 C ATOM 1020 O HIS A 63 6.072 9.439 -3.771 1.00 0.00 O ATOM 1021 CB HIS A 63 3.499 10.490 -2.389 1.00 0.00 C ATOM 1022 CG HIS A 63 3.171 10.663 -0.925 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.344 11.685 -0.450 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.591 9.903 0.133 1.00 0.00 C ATOM 1025 CE1 HIS A 63 2.292 11.521 0.877 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.022 10.458 1.254 1.00 0.00 N ATOM 0 H HIS A 63 3.439 7.950 -1.250 1.00 0.00 H new ATOM 0 HA HIS A 63 3.595 9.005 -3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.322 11.166 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.635 10.833 -2.959 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.877 12.406 -1.000 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.239 9.040 0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.739 12.156 1.553 1.00 0.00 H new ATOM 1034 N ASP A 64 5.924 8.289 -1.855 1.00 0.00 N ATOM 1035 CA ASP A 64 7.346 8.007 -1.841 1.00 0.00 C ATOM 1036 C ASP A 64 7.595 6.715 -2.608 1.00 0.00 C ATOM 1037 O ASP A 64 7.081 5.666 -2.225 1.00 0.00 O ATOM 1038 CB ASP A 64 7.847 7.859 -0.407 1.00 0.00 C ATOM 1039 CG ASP A 64 8.609 9.100 0.036 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.643 9.394 -0.600 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.157 9.745 1.008 1.00 0.00 O ATOM 0 H ASP A 64 5.405 7.943 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 64 7.883 8.832 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.003 7.689 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.494 6.985 -0.332 1.00 0.00 H new ATOM 1046 N LYS A 65 8.376 6.773 -3.688 1.00 0.00 N ATOM 1047 CA LYS A 65 8.660 5.594 -4.489 1.00 0.00 C ATOM 1048 C LYS A 65 9.293 4.501 -3.631 1.00 0.00 C ATOM 1049 O LYS A 65 8.843 3.361 -3.671 1.00 0.00 O ATOM 1050 CB LYS A 65 9.571 5.994 -5.654 1.00 0.00 C ATOM 1051 CG LYS A 65 10.133 4.796 -6.425 1.00 0.00 C ATOM 1052 CD LYS A 65 9.072 3.795 -6.900 1.00 0.00 C ATOM 1053 CE LYS A 65 7.928 4.451 -7.672 1.00 0.00 C ATOM 1054 NZ LYS A 65 8.404 5.090 -8.916 1.00 0.00 N ATOM 0 H LYS A 65 8.821 7.627 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 65 7.732 5.187 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.012 6.629 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.399 6.590 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.683 5.163 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.849 4.274 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.547 3.046 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.665 3.270 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.175 3.701 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.444 5.197 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.598 5.510 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.092 5.834 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.858 4.376 -9.521 1.00 0.00 H new ATOM 1068 N ARG A 66 10.324 4.845 -2.854 1.00 0.00 N ATOM 1069 CA ARG A 66 11.027 3.863 -2.037 1.00 0.00 C ATOM 1070 C ARG A 66 10.124 3.225 -0.979 1.00 0.00 C ATOM 1071 O ARG A 66 10.305 2.056 -0.643 1.00 0.00 O ATOM 1072 CB ARG A 66 12.286 4.470 -1.412 1.00 0.00 C ATOM 1073 CG ARG A 66 12.037 5.603 -0.408 1.00 0.00 C ATOM 1074 CD ARG A 66 11.636 6.932 -1.054 1.00 0.00 C ATOM 1075 NE ARG A 66 12.621 7.357 -2.060 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.639 8.559 -2.652 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.737 9.487 -2.353 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.574 8.835 -3.555 1.00 0.00 N ATOM 0 H ARG A 66 10.687 5.795 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 66 11.335 3.057 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.841 3.677 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.923 4.848 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.252 5.296 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.940 5.756 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.657 6.830 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.544 7.699 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 66 13.343 6.688 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.013 9.291 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.768 10.396 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.274 8.133 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.591 9.749 -4.008 1.00 0.00 H new ATOM 1092 N ASP A 67 9.151 3.975 -0.451 1.00 0.00 N ATOM 1093 CA ASP A 67 8.280 3.457 0.598 1.00 0.00 C ATOM 1094 C ASP A 67 7.076 2.750 -0.023 1.00 0.00 C ATOM 1095 O ASP A 67 6.385 1.993 0.654 1.00 0.00 O ATOM 1096 CB ASP A 67 7.819 4.594 1.507 1.00 0.00 C ATOM 1097 CG ASP A 67 8.999 5.279 2.190 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.952 4.563 2.567 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.937 6.521 2.330 1.00 0.00 O ATOM 0 H ASP A 67 8.951 4.935 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 67 8.837 2.737 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.262 5.325 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.137 4.203 2.262 1.00 0.00 H new ATOM 1104 N ALA A 68 6.832 2.994 -1.314 1.00 0.00 N ATOM 1105 CA ALA A 68 5.754 2.364 -2.046 1.00 0.00 C ATOM 1106 C ALA A 68 6.199 0.975 -2.485 1.00 0.00 C ATOM 1107 O ALA A 68 5.472 -0.002 -2.305 1.00 0.00 O ATOM 1108 CB ALA A 68 5.470 3.204 -3.287 1.00 0.00 C ATOM 0 H ALA A 68 7.387 3.640 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 68 4.864 2.286 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.660 2.749 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.181 4.211 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.366 3.253 -3.906 1.00 0.00 H new ATOM 1114 N GLU A 69 7.399 0.885 -3.061 1.00 0.00 N ATOM 1115 CA GLU A 69 7.908 -0.396 -3.496 1.00 0.00 C ATOM 1116 C GLU A 69 8.207 -1.302 -2.305 1.00 0.00 C ATOM 1117 O GLU A 69 8.149 -2.524 -2.446 1.00 0.00 O ATOM 1118 CB GLU A 69 9.142 -0.222 -4.383 1.00 0.00 C ATOM 1119 CG GLU A 69 10.303 0.416 -3.619 1.00 0.00 C ATOM 1120 CD GLU A 69 11.588 0.384 -4.440 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.316 -0.626 -4.331 1.00 0.00 O ATOM 1122 OE2 GLU A 69 11.833 1.372 -5.170 1.00 0.00 O ATOM 0 H GLU A 69 8.020 1.676 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 69 7.134 -0.879 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.451 -1.193 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.888 0.398 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.054 1.447 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.456 -0.112 -2.678 1.00 0.00 H new ATOM 1129 N ASP A 70 8.521 -0.735 -1.134 1.00 0.00 N ATOM 1130 CA ASP A 70 8.765 -1.552 0.044 1.00 0.00 C ATOM 1131 C ASP A 70 7.453 -2.085 0.617 1.00 0.00 C ATOM 1132 O ASP A 70 7.381 -3.242 1.026 1.00 0.00 O ATOM 1133 CB ASP A 70 9.513 -0.719 1.086 1.00 0.00 C ATOM 1134 CG ASP A 70 9.885 -1.560 2.303 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.757 -2.447 2.155 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.296 -1.313 3.378 1.00 0.00 O ATOM 0 H ASP A 70 8.609 0.270 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 70 9.375 -2.411 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.416 -0.300 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.892 0.121 1.397 1.00 0.00 H new ATOM 1141 N ALA A 71 6.408 -1.254 0.649 1.00 0.00 N ATOM 1142 CA ALA A 71 5.131 -1.673 1.200 1.00 0.00 C ATOM 1143 C ALA A 71 4.529 -2.821 0.392 1.00 0.00 C ATOM 1144 O ALA A 71 3.864 -3.688 0.959 1.00 0.00 O ATOM 1145 CB ALA A 71 4.178 -0.479 1.235 1.00 0.00 C ATOM 0 H ALA A 71 6.427 -0.295 0.301 1.00 0.00 H new ATOM 0 HA ALA A 71 5.290 -2.038 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.219 -0.791 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.603 0.308 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.031 -0.101 0.223 1.00 0.00 H new ATOM 1151 N MET A 72 4.754 -2.846 -0.927 1.00 0.00 N ATOM 1152 CA MET A 72 4.226 -3.931 -1.736 1.00 0.00 C ATOM 1153 C MET A 72 5.100 -5.168 -1.551 1.00 0.00 C ATOM 1154 O MET A 72 4.598 -6.289 -1.514 1.00 0.00 O ATOM 1155 CB MET A 72 4.132 -3.499 -3.206 1.00 0.00 C ATOM 1156 CG MET A 72 5.318 -3.935 -4.068 1.00 0.00 C ATOM 1157 SD MET A 72 5.093 -3.556 -5.823 1.00 0.00 S ATOM 1158 CE MET A 72 5.436 -1.785 -5.781 1.00 0.00 C ATOM 0 H MET A 72 5.286 -2.142 -1.439 1.00 0.00 H new ATOM 0 HA MET A 72 3.216 -4.182 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.217 -3.908 -3.635 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.047 -2.413 -3.249 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.222 -3.443 -3.709 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.471 -5.008 -3.950 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.841 -1.281 -6.543 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.180 -1.388 -4.799 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.495 -1.615 -5.976 1.00 0.00 H new ATOM 1168 N ASP A 73 6.411 -4.961 -1.434 1.00 0.00 N ATOM 1169 CA ASP A 73 7.368 -6.038 -1.243 1.00 0.00 C ATOM 1170 C ASP A 73 7.381 -6.538 0.203 1.00 0.00 C ATOM 1171 O ASP A 73 8.160 -7.438 0.531 1.00 0.00 O ATOM 1172 CB ASP A 73 8.756 -5.544 -1.671 1.00 0.00 C ATOM 1173 CG ASP A 73 9.785 -6.676 -1.684 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.529 -7.673 -2.394 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.813 -6.532 -0.989 1.00 0.00 O ATOM 0 H ASP A 73 6.836 -4.035 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 73 7.074 -6.887 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.693 -5.099 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.088 -4.759 -0.991 1.00 0.00 H new ATOM 1180 N ALA A 74 6.541 -5.975 1.079 1.00 0.00 N ATOM 1181 CA ALA A 74 6.557 -6.327 2.490 1.00 0.00 C ATOM 1182 C ALA A 74 5.170 -6.630 3.058 1.00 0.00 C ATOM 1183 O ALA A 74 5.069 -7.027 4.218 1.00 0.00 O ATOM 1184 CB ALA A 74 7.185 -5.176 3.259 1.00 0.00 C ATOM 0 H ALA A 74 5.844 -5.274 0.828 1.00 0.00 H new ATOM 0 HA ALA A 74 7.135 -7.245 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.208 -5.418 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.202 -5.012 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.596 -4.272 3.105 1.00 0.00 H new ATOM 1190 N MET A 75 4.103 -6.451 2.270 1.00 0.00 N ATOM 1191 CA MET A 75 2.769 -6.788 2.749 1.00 0.00 C ATOM 1192 C MET A 75 1.890 -7.497 1.719 1.00 0.00 C ATOM 1193 O MET A 75 1.009 -8.262 2.100 1.00 0.00 O ATOM 1194 CB MET A 75 2.057 -5.509 3.187 1.00 0.00 C ATOM 1195 CG MET A 75 1.059 -5.864 4.285 1.00 0.00 C ATOM 1196 SD MET A 75 -0.175 -4.584 4.636 1.00 0.00 S ATOM 1197 CE MET A 75 0.924 -3.219 5.077 1.00 0.00 C ATOM 0 H MET A 75 4.140 -6.083 1.320 1.00 0.00 H new ATOM 0 HA MET A 75 2.914 -7.485 3.574 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.779 -4.779 3.553 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.543 -5.052 2.341 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.541 -6.780 4.003 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.610 -6.079 5.201 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.332 -2.329 5.291 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.504 -3.489 5.959 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.600 -3.014 4.247 1.00 0.00 H new ATOM 1207 N ASP A 76 2.101 -7.266 0.424 1.00 0.00 N ATOM 1208 CA ASP A 76 1.261 -7.910 -0.573 1.00 0.00 C ATOM 1209 C ASP A 76 1.442 -9.425 -0.510 1.00 0.00 C ATOM 1210 O ASP A 76 2.561 -9.928 -0.432 1.00 0.00 O ATOM 1211 CB ASP A 76 1.624 -7.388 -1.958 1.00 0.00 C ATOM 1212 CG ASP A 76 0.918 -8.169 -3.059 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.329 -8.103 -3.103 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.627 -8.826 -3.847 1.00 0.00 O ATOM 0 H ASP A 76 2.827 -6.654 0.052 1.00 0.00 H new ATOM 0 HA ASP A 76 0.215 -7.679 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.356 -6.334 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.703 -7.454 -2.100 1.00 0.00 H new ATOM 1219 N GLY A 77 0.320 -10.145 -0.546 1.00 0.00 N ATOM 1220 CA GLY A 77 0.329 -11.602 -0.556 1.00 0.00 C ATOM 1221 C GLY A 77 0.491 -12.193 0.843 1.00 0.00 C ATOM 1222 O GLY A 77 0.700 -13.395 0.976 1.00 0.00 O ATOM 0 H GLY A 77 -0.613 -9.734 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.600 -11.965 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.141 -11.953 -1.192 1.00 0.00 H new ATOM 1226 N ALA A 78 0.398 -11.365 1.892 1.00 0.00 N ATOM 1227 CA ALA A 78 0.535 -11.814 3.275 1.00 0.00 C ATOM 1228 C ALA A 78 -0.780 -12.406 3.790 1.00 0.00 C ATOM 1229 O ALA A 78 -1.091 -12.335 4.977 1.00 0.00 O ATOM 1230 CB ALA A 78 1.004 -10.645 4.135 1.00 0.00 C ATOM 0 H ALA A 78 0.225 -10.364 1.800 1.00 0.00 H new ATOM 0 HA ALA A 78 1.280 -12.608 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.108 -10.973 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.966 -10.287 3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.273 -9.838 4.082 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.546 -12.984 2.869 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.895 -13.464 3.107 1.00 0.00 C ATOM 1238 C VAL A 79 -2.915 -14.734 3.949 1.00 0.00 C ATOM 1239 O VAL A 79 -1.909 -15.426 4.089 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.583 -13.695 1.757 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -5.041 -14.106 1.822 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.454 -12.475 0.844 1.00 0.00 C ATOM 0 H VAL A 79 -1.232 -13.134 1.910 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.436 -12.708 3.676 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.044 -14.548 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.426 -14.242 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.131 -15.042 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.616 -13.330 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.954 -12.675 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.917 -11.612 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.400 -12.267 0.662 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.095 -15.019 4.506 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.332 -16.169 5.367 1.00 0.00 C ATOM 1254 C LEU A 80 -5.816 -16.544 5.421 1.00 0.00 C ATOM 1255 O LEU A 80 -6.236 -17.282 6.311 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.760 -15.888 6.768 1.00 0.00 C ATOM 1257 CG LEU A 80 -3.997 -14.458 7.267 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.470 -14.060 7.216 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.508 -14.354 8.709 1.00 0.00 C ATOM 0 H LEU A 80 -4.925 -14.443 4.365 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.816 -17.032 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.204 -16.587 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.688 -16.084 6.757 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.449 -13.782 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.584 -13.039 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.828 -14.121 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.051 -14.736 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.671 -13.341 9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.059 -15.059 9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.444 -14.588 8.750 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.615 -16.040 4.473 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.050 -16.302 4.415 1.00 0.00 C ATOM 1273 C ASP A 81 -8.544 -16.407 2.965 1.00 0.00 C ATOM 1274 O ASP A 81 -9.741 -16.534 2.719 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.777 -15.162 5.138 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.286 -15.391 5.225 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.687 -16.389 5.864 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.030 -14.561 4.653 1.00 0.00 O ATOM 0 H ASP A 81 -6.278 -15.436 3.723 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.259 -17.256 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.370 -15.056 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.585 -14.224 4.616 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.626 -16.348 1.997 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.971 -16.343 0.584 1.00 0.00 C ATOM 1285 C GLY A 82 -7.899 -14.931 -0.001 1.00 0.00 C ATOM 1286 O GLY A 82 -7.998 -14.758 -1.215 1.00 0.00 O ATOM 0 H GLY A 82 -6.623 -16.302 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.292 -17.000 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.976 -16.743 0.452 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.731 -13.926 0.864 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.617 -12.524 0.488 1.00 0.00 C ATOM 1292 C ARG A 83 -7.236 -11.719 1.727 1.00 0.00 C ATOM 1293 O ARG A 83 -7.945 -11.768 2.727 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.959 -12.061 -0.098 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.197 -10.553 0.013 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.034 -10.137 1.225 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.326 -10.838 1.282 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.595 -11.889 2.066 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.667 -12.419 2.854 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.811 -12.420 2.061 1.00 0.00 N ATOM 0 H ARG A 83 -7.670 -14.075 1.871 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.846 -12.377 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.005 -12.350 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.767 -12.585 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.233 -10.047 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.694 -10.207 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.473 -10.340 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.208 -9.062 1.191 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.074 -10.497 0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.726 -12.025 2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.895 -13.220 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.537 -12.027 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.020 -13.221 2.657 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.122 -10.988 1.661 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.784 -10.005 2.685 1.00 0.00 C ATOM 1316 C GLU A 84 -5.231 -8.732 2.044 1.00 0.00 C ATOM 1317 O GLU A 84 -5.663 -7.639 2.406 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.778 -10.513 3.722 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.280 -11.655 4.605 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.511 -11.270 5.428 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -6.543 -10.129 5.938 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.414 -12.123 5.550 1.00 0.00 O ATOM 0 H GLU A 84 -5.439 -11.060 0.907 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.716 -9.800 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.879 -10.844 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.487 -9.680 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.521 -12.514 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.481 -11.966 5.278 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.288 -8.858 1.100 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.703 -7.711 0.413 1.00 0.00 C ATOM 1331 C LEU A 85 -3.543 -7.963 -1.079 1.00 0.00 C ATOM 1332 O LEU A 85 -3.407 -9.104 -1.522 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.286 -7.415 0.930 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.124 -6.783 2.315 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -3.018 -5.563 2.486 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.337 -7.796 3.432 1.00 0.00 C ATOM 0 H LEU A 85 -3.914 -9.757 0.796 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.386 -6.883 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.731 -8.353 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.802 -6.757 0.208 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.092 -6.440 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.874 -5.143 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.760 -4.815 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.061 -5.856 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.213 -7.305 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.343 -8.209 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.608 -8.600 3.338 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.555 -6.860 -1.835 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.185 -6.788 -3.241 1.00 0.00 C ATOM 1350 C ARG A 86 -2.604 -5.401 -3.477 1.00 0.00 C ATOM 1351 O ARG A 86 -3.343 -4.422 -3.475 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.385 -7.042 -4.165 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.678 -8.534 -4.339 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.505 -9.299 -4.957 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.190 -8.791 -6.297 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.013 -8.275 -6.668 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.999 -8.167 -5.816 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -1.841 -7.857 -7.917 1.00 0.00 N ATOM 0 H ARG A 86 -3.837 -5.954 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.456 -7.564 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.266 -6.546 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.191 -6.596 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.919 -8.968 -3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.558 -8.656 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.629 -9.208 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.749 -10.360 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.927 -8.835 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.107 -8.482 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.112 -7.769 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.605 -7.930 -8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.945 -7.463 -8.204 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.287 -5.313 -3.679 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.608 -4.033 -3.845 1.00 0.00 C ATOM 1374 C VAL A 87 0.329 -4.054 -5.046 1.00 0.00 C ATOM 1375 O VAL A 87 1.001 -5.054 -5.299 1.00 0.00 O ATOM 1376 CB VAL A 87 0.196 -3.714 -2.582 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.768 -2.302 -2.644 1.00 0.00 C ATOM 1378 CG2 VAL A 87 -0.643 -3.875 -1.322 1.00 0.00 C ATOM 0 H VAL A 87 -0.668 -6.122 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.365 -3.267 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 87 1.017 -4.430 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.335 -2.099 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.425 -2.213 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.047 -1.583 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.036 -3.639 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.496 -3.198 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.998 -4.903 -1.250 1.00 0.00 H new ATOM 1388 N GLN A 88 0.354 -2.934 -5.771 1.00 0.00 N ATOM 1389 CA GLN A 88 1.201 -2.691 -6.934 1.00 0.00 C ATOM 1390 C GLN A 88 1.063 -1.224 -7.320 1.00 0.00 C ATOM 1391 O GLN A 88 0.278 -0.486 -6.735 1.00 0.00 O ATOM 1392 CB GLN A 88 0.753 -3.571 -8.111 1.00 0.00 C ATOM 1393 CG GLN A 88 1.720 -4.727 -8.384 1.00 0.00 C ATOM 1394 CD GLN A 88 3.101 -4.247 -8.816 1.00 0.00 C ATOM 1395 OE1 GLN A 88 3.291 -3.088 -9.181 1.00 0.00 O ATOM 1396 NE2 GLN A 88 4.087 -5.139 -8.775 1.00 0.00 N ATOM 0 H GLN A 88 -0.244 -2.137 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 88 2.237 -2.932 -6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.238 -3.973 -7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.666 -2.956 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.816 -5.336 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.303 -5.369 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.899 -6.093 -8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.031 -4.869 -9.051 1.00 0.00 H new ATOM 1405 N MET A 89 1.835 -0.796 -8.316 1.00 0.00 N ATOM 1406 CA MET A 89 1.774 0.564 -8.821 1.00 0.00 C ATOM 1407 C MET A 89 0.518 0.722 -9.675 1.00 0.00 C ATOM 1408 O MET A 89 0.089 -0.226 -10.333 1.00 0.00 O ATOM 1409 CB MET A 89 3.038 0.795 -9.649 1.00 0.00 C ATOM 1410 CG MET A 89 4.225 0.765 -8.688 1.00 0.00 C ATOM 1411 SD MET A 89 4.612 2.372 -7.953 1.00 0.00 S ATOM 1412 CE MET A 89 5.860 1.812 -6.770 1.00 0.00 C ATOM 0 H MET A 89 2.518 -1.385 -8.792 1.00 0.00 H new ATOM 0 HA MET A 89 1.724 1.295 -8.014 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.143 0.024 -10.413 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.988 1.753 -10.167 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.016 0.052 -7.890 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.103 0.399 -9.221 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.118 2.631 -6.098 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.464 0.978 -6.191 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.752 1.489 -7.307 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.074 1.916 -9.662 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.232 2.220 -10.488 1.00 0.00 C ATOM 1424 C ALA A 90 -0.818 2.290 -11.957 1.00 0.00 C ATOM 1425 O ALA A 90 0.284 2.739 -12.271 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.825 3.550 -10.036 1.00 0.00 C ATOM 0 H ALA A 90 0.237 2.694 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.982 1.436 -10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.694 3.788 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.127 3.478 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.078 4.337 -10.144 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.704 1.848 -12.860 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.525 2.045 -14.300 1.00 0.00 C ATOM 1434 C ARG A 91 -2.835 2.573 -14.875 1.00 0.00 C ATOM 1435 O ARG A 91 -3.089 2.493 -16.076 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.047 0.774 -15.015 1.00 0.00 C ATOM 1437 CG ARG A 91 0.362 0.352 -14.584 1.00 0.00 C ATOM 1438 CD ARG A 91 0.327 -0.603 -13.389 1.00 0.00 C ATOM 1439 NE ARG A 91 -0.113 -1.944 -13.795 1.00 0.00 N ATOM 1440 CZ ARG A 91 -0.464 -2.912 -12.944 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -0.456 -2.703 -11.627 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -0.829 -4.105 -13.404 1.00 0.00 N ATOM 0 H ARG A 91 -2.558 1.348 -12.613 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.732 2.775 -14.466 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.744 -0.038 -14.810 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.059 0.941 -16.092 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.869 -0.130 -15.420 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.944 1.237 -14.326 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.318 -0.663 -12.939 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.346 -0.211 -12.627 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.153 -2.150 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.179 -1.794 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.727 -3.452 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.841 -4.282 -14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.097 -4.843 -12.752 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.666 3.118 -13.982 1.00 0.00 N ATOM 1457 CA TYR A 92 -4.942 3.722 -14.290 1.00 0.00 C ATOM 1458 C TYR A 92 -5.114 4.915 -13.350 1.00 0.00 C ATOM 1459 O TYR A 92 -4.765 4.827 -12.170 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.028 2.666 -14.108 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.438 3.191 -14.180 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -7.897 3.879 -15.312 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.288 2.984 -13.086 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.214 4.369 -15.345 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -9.598 3.472 -13.111 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.071 4.166 -14.244 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.348 4.642 -14.275 1.00 0.00 O ATOM 0 H TYR A 92 -3.448 3.146 -12.986 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.006 4.080 -15.318 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.901 1.899 -14.872 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.885 2.180 -13.143 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.241 4.032 -16.156 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.930 2.446 -12.221 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.570 4.902 -16.215 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.248 3.317 -12.262 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.802 4.415 -13.437 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.648 6.025 -13.867 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.670 7.295 -13.158 1.00 0.00 C ATOM 1479 C GLY A 93 -7.085 7.780 -12.878 1.00 0.00 C ATOM 1480 O GLY A 93 -8.047 7.020 -12.986 1.00 0.00 O ATOM 0 H GLY A 93 -6.077 6.062 -14.792 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.132 7.191 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.142 8.045 -13.746 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.196 9.061 -12.512 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.465 9.709 -12.200 1.00 0.00 C ATOM 1486 C ARG A 94 -9.512 9.348 -13.250 1.00 0.00 C ATOM 1487 O ARG A 94 -9.259 9.506 -14.443 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.253 11.222 -12.163 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.366 11.661 -10.993 1.00 0.00 C ATOM 1490 CD ARG A 94 -8.124 11.607 -9.669 1.00 0.00 C ATOM 1491 NE ARG A 94 -9.222 12.580 -9.665 1.00 0.00 N ATOM 1492 CZ ARG A 94 -10.484 12.312 -9.323 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -10.849 11.098 -8.929 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -11.405 13.268 -9.372 1.00 0.00 N ATOM 0 H ARG A 94 -6.392 9.683 -12.424 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.822 9.367 -11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.799 11.545 -13.100 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.220 11.720 -12.089 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.488 11.017 -10.938 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.007 12.675 -11.167 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.519 10.604 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.442 11.816 -8.844 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.004 13.536 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.159 10.348 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.819 10.915 -8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.148 14.209 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.369 13.061 -9.110 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.688 8.864 -12.829 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.746 8.464 -13.740 1.00 0.00 C ATOM 1510 C PRO A 95 -12.321 9.683 -14.459 1.00 0.00 C ATOM 1511 O PRO A 95 -12.450 10.750 -13.857 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.795 7.781 -12.861 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.568 8.381 -11.472 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.069 8.657 -11.445 1.00 0.00 C ATOM 0 HA PRO A 95 -11.389 7.794 -14.522 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.805 7.978 -13.220 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.665 6.699 -12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.147 9.293 -11.329 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.863 7.690 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.842 9.535 -10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.524 7.820 -11.009 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.672 9.543 -15.745 1.00 0.00 N ATOM 1523 CA PRO A 96 -13.249 10.620 -16.530 1.00 0.00 C ATOM 1524 C PRO A 96 -14.700 10.854 -16.136 1.00 0.00 C ATOM 1525 O PRO A 96 -15.171 11.992 -16.153 1.00 0.00 O ATOM 1526 CB PRO A 96 -13.157 10.141 -17.980 1.00 0.00 C ATOM 1527 CG PRO A 96 -13.233 8.619 -17.853 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.523 8.336 -16.531 1.00 0.00 C ATOM 0 HA PRO A 96 -12.729 11.565 -16.374 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.972 10.535 -18.586 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.227 10.459 -18.451 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.265 8.269 -17.837 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.740 8.121 -18.688 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.967 7.480 -16.023 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.471 8.101 -16.693 1.00 0.00 H new ATOM 1536 N ASP A 97 -15.415 9.786 -15.773 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.793 9.871 -15.323 1.00 0.00 C ATOM 1538 C ASP A 97 -17.239 8.553 -14.701 1.00 0.00 C ATOM 1539 O ASP A 97 -16.969 7.480 -15.243 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.702 10.184 -16.510 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.174 10.228 -16.091 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.459 10.891 -15.071 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.998 9.596 -16.793 1.00 0.00 O ATOM 0 H ASP A 97 -15.045 8.835 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.860 10.662 -14.576 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.417 11.142 -16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.565 9.429 -17.284 1.00 0.00 H new ATOM 1548 N SER A 98 -17.933 8.655 -13.566 1.00 0.00 N ATOM 1549 CA SER A 98 -18.594 7.539 -12.898 1.00 0.00 C ATOM 1550 C SER A 98 -19.832 8.007 -12.135 1.00 0.00 C ATOM 1551 O SER A 98 -20.499 7.191 -11.503 1.00 0.00 O ATOM 1552 CB SER A 98 -17.650 6.876 -11.895 1.00 0.00 C ATOM 1553 OG SER A 98 -16.550 6.282 -12.554 1.00 0.00 O ATOM 0 H SER A 98 -18.052 9.541 -13.075 1.00 0.00 H new ATOM 0 HA SER A 98 -18.883 6.830 -13.674 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.294 7.618 -11.180 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.190 6.119 -11.326 1.00 0.00 H new ATOM 0 HG SER A 98 -16.611 6.457 -13.516 1.00 0.00 H new