USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 19 SER OG : rot 39:sc= 0.944 USER MOD Single : A 20 SER OG : rot 173:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.888 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.167 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-0.72) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.274 K(o=0.27,f=-5.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 86:sc= 0.329 USER MOD Single : A 80 GLN : amide:sc= -3.27! C(o=-3.3!,f=-6.7!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.663 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 94 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.5!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-2.5!) USER MOD Single : A 98 SER OG : rot 130:sc= -0.229 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.955 6.675 5.475 1.00 0.00 N ATOM 67 CA PRO A 8 14.002 6.785 4.014 1.00 0.00 C ATOM 68 C PRO A 8 12.960 7.758 3.473 1.00 0.00 C ATOM 69 O PRO A 8 12.025 8.155 4.168 1.00 0.00 O ATOM 70 CB PRO A 8 13.700 5.361 3.541 1.00 0.00 C ATOM 71 CG PRO A 8 12.918 4.750 4.652 1.00 0.00 C ATOM 72 CD PRO A 8 13.448 5.365 5.918 1.00 0.00 C ATOM 0 HA PRO A 8 14.960 7.170 3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.130 5.365 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.618 4.804 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.853 4.951 4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.038 3.667 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.667 5.470 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.237 4.757 6.360 1.00 0.00 H new ATOM 80 N PRO A 9 13.124 8.154 2.201 1.00 0.00 N ATOM 81 CA PRO A 9 12.206 9.085 1.538 1.00 0.00 C ATOM 82 C PRO A 9 10.840 8.462 1.272 1.00 0.00 C ATOM 83 O PRO A 9 10.738 7.276 0.963 1.00 0.00 O ATOM 84 CB PRO A 9 12.915 9.403 0.219 1.00 0.00 C ATOM 85 CG PRO A 9 13.784 8.221 -0.038 1.00 0.00 C ATOM 86 CD PRO A 9 14.216 7.722 1.313 1.00 0.00 C ATOM 0 HA PRO A 9 12.003 9.963 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.199 9.551 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.503 10.318 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.241 7.449 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.646 8.495 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.336 6.639 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.172 8.151 1.613 1.00 0.00 H new ATOM 94 N ALA A 10 9.792 9.271 1.394 1.00 0.00 N ATOM 95 CA ALA A 10 8.432 8.799 1.164 1.00 0.00 C ATOM 96 C ALA A 10 8.317 8.092 -0.183 1.00 0.00 C ATOM 97 O ALA A 10 8.486 8.708 -1.235 1.00 0.00 O ATOM 98 CB ALA A 10 7.451 9.959 1.239 1.00 0.00 C ATOM 0 H ALA A 10 9.859 10.256 1.651 1.00 0.00 H new ATOM 0 HA ALA A 10 8.186 8.079 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.439 9.592 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.506 10.419 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.704 10.699 0.480 1.00 0.00 H new ATOM 104 N VAL A 11 8.029 6.795 -0.142 1.00 0.00 N ATOM 105 CA VAL A 11 7.890 6.005 -1.360 1.00 0.00 C ATOM 106 C VAL A 11 7.131 6.776 -2.433 1.00 0.00 C ATOM 107 O VAL A 11 6.002 7.216 -2.215 1.00 0.00 O ATOM 108 CB VAL A 11 7.161 4.676 -1.086 1.00 0.00 C ATOM 109 CG1 VAL A 11 7.359 3.710 -2.244 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.645 4.062 0.219 1.00 0.00 C ATOM 0 H VAL A 11 7.887 6.269 0.721 1.00 0.00 H new ATOM 0 HA VAL A 11 8.898 5.792 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 11 6.094 4.880 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.837 2.777 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.960 4.150 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.423 3.510 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.119 3.124 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.716 3.871 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.447 4.750 1.041 1.00 0.00 H new ATOM 120 N SER A 12 7.758 6.938 -3.594 1.00 0.00 N ATOM 121 CA SER A 12 7.143 7.660 -4.701 1.00 0.00 C ATOM 122 C SER A 12 7.018 6.765 -5.930 1.00 0.00 C ATOM 123 O SER A 12 7.441 5.609 -5.916 1.00 0.00 O ATOM 124 CB SER A 12 7.964 8.905 -5.044 1.00 0.00 C ATOM 125 OG SER A 12 9.236 8.551 -5.558 1.00 0.00 O ATOM 0 H SER A 12 8.692 6.579 -3.792 1.00 0.00 H new ATOM 0 HA SER A 12 6.143 7.966 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.427 9.508 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.087 9.520 -4.153 1.00 0.00 H new ATOM 0 HG SER A 12 9.740 9.364 -5.771 1.00 0.00 H new ATOM 131 N ASP A 13 6.433 7.308 -6.992 1.00 0.00 N ATOM 132 CA ASP A 13 6.251 6.560 -8.231 1.00 0.00 C ATOM 133 C ASP A 13 5.633 5.193 -7.955 1.00 0.00 C ATOM 134 O ASP A 13 6.184 4.162 -8.344 1.00 0.00 O ATOM 135 CB ASP A 13 7.590 6.392 -8.951 1.00 0.00 C ATOM 136 CG ASP A 13 7.881 7.535 -9.905 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.421 7.472 -11.064 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.568 8.492 -9.491 1.00 0.00 O ATOM 0 H ASP A 13 6.077 8.263 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 13 5.571 7.123 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.390 6.325 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.587 5.453 -9.504 1.00 0.00 H new ATOM 143 N ILE A 14 4.489 5.191 -7.280 1.00 0.00 N ATOM 144 CA ILE A 14 3.797 3.951 -6.952 1.00 0.00 C ATOM 145 C ILE A 14 2.775 3.591 -8.025 1.00 0.00 C ATOM 146 O ILE A 14 1.799 4.312 -8.234 1.00 0.00 O ATOM 147 CB ILE A 14 3.083 4.047 -5.591 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.106 4.210 -4.465 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.221 2.816 -5.357 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.537 4.858 -3.222 1.00 0.00 C ATOM 0 H ILE A 14 4.021 6.035 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 14 4.556 3.171 -6.900 1.00 0.00 H new ATOM 0 HB ILE A 14 2.435 4.924 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.506 3.230 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.941 4.809 -4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.723 2.899 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.473 2.741 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.849 1.925 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.317 4.942 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.162 5.851 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.721 4.248 -2.835 1.00 0.00 H new ATOM 162 N ARG A 15 3.005 2.471 -8.702 1.00 0.00 N ATOM 163 CA ARG A 15 2.104 2.015 -9.754 1.00 0.00 C ATOM 164 C ARG A 15 1.385 0.735 -9.336 1.00 0.00 C ATOM 165 O ARG A 15 1.861 -0.004 -8.475 1.00 0.00 O ATOM 166 CB ARG A 15 2.879 1.777 -11.051 1.00 0.00 C ATOM 167 CG ARG A 15 3.987 0.744 -10.918 1.00 0.00 C ATOM 168 CD ARG A 15 4.813 0.647 -12.191 1.00 0.00 C ATOM 169 NE ARG A 15 5.940 1.575 -12.184 1.00 0.00 N ATOM 170 CZ ARG A 15 6.928 1.525 -11.297 1.00 0.00 C ATOM 171 NH1 ARG A 15 6.928 0.595 -10.352 1.00 0.00 N ATOM 172 NH2 ARG A 15 7.920 2.405 -11.356 1.00 0.00 N ATOM 0 H ARG A 15 3.808 1.862 -8.541 1.00 0.00 H new ATOM 0 HA ARG A 15 1.359 2.792 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.184 1.454 -11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.311 2.720 -11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.634 1.009 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.553 -0.229 -10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.183 -0.372 -12.306 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.178 0.855 -13.052 1.00 0.00 H new ATOM 0 HE ARG A 15 5.971 2.302 -12.899 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.168 -0.084 -10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.688 0.559 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.924 3.121 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.678 2.366 -10.674 1.00 0.00 H new ATOM 186 N VAL A 16 0.235 0.481 -9.952 1.00 0.00 N ATOM 187 CA VAL A 16 -0.550 -0.709 -9.645 1.00 0.00 C ATOM 188 C VAL A 16 -0.599 -1.658 -10.838 1.00 0.00 C ATOM 189 O VAL A 16 -1.232 -1.365 -11.853 1.00 0.00 O ATOM 190 CB VAL A 16 -1.988 -0.342 -9.236 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.815 -1.598 -9.006 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.981 0.536 -7.994 1.00 0.00 C ATOM 0 H VAL A 16 -0.174 1.083 -10.667 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.058 -1.206 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.446 0.222 -10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.828 -1.319 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.848 -2.185 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.362 -2.191 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.006 0.786 -7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.505 0.000 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.427 1.452 -8.199 1.00 0.00 H new ATOM 202 N THR A 17 0.074 -2.797 -10.709 1.00 0.00 N ATOM 203 CA THR A 17 0.108 -3.790 -11.776 1.00 0.00 C ATOM 204 C THR A 17 -0.794 -4.976 -11.452 1.00 0.00 C ATOM 205 O THR A 17 -1.206 -5.160 -10.307 1.00 0.00 O ATOM 206 CB THR A 17 1.540 -4.300 -12.023 1.00 0.00 C ATOM 207 OG1 THR A 17 1.576 -5.102 -13.208 1.00 0.00 O ATOM 208 CG2 THR A 17 2.036 -5.115 -10.838 1.00 0.00 C ATOM 0 H THR A 17 0.603 -3.055 -9.876 1.00 0.00 H new ATOM 0 HA THR A 17 -0.255 -3.298 -12.678 1.00 0.00 H new ATOM 0 HB THR A 17 2.193 -3.437 -12.149 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.490 -5.421 -13.359 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.049 -5.465 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.035 -4.493 -9.943 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.380 -5.972 -10.686 1.00 0.00 H new ATOM 216 N ARG A 18 -1.095 -5.778 -12.468 1.00 0.00 N ATOM 217 CA ARG A 18 -1.948 -6.947 -12.291 1.00 0.00 C ATOM 218 C ARG A 18 -3.184 -6.598 -11.466 1.00 0.00 C ATOM 219 O ARG A 18 -3.540 -7.314 -10.530 1.00 0.00 O ATOM 220 CB ARG A 18 -1.170 -8.075 -11.611 1.00 0.00 C ATOM 221 CG ARG A 18 -1.868 -9.424 -11.678 1.00 0.00 C ATOM 222 CD ARG A 18 -0.951 -10.549 -11.225 1.00 0.00 C ATOM 223 NE ARG A 18 -1.504 -11.864 -11.535 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.433 -12.427 -12.736 1.00 0.00 C ATOM 225 NH1 ARG A 18 -0.835 -11.792 -13.735 1.00 0.00 N ATOM 226 NH2 ARG A 18 -1.960 -13.627 -12.941 1.00 0.00 N ATOM 0 H ARG A 18 -0.761 -5.640 -13.422 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.272 -7.281 -13.277 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.188 -8.160 -12.077 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.005 -7.812 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.759 -9.405 -11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.200 -9.613 -12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.020 -10.441 -11.708 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.784 -10.470 -10.151 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.971 -12.379 -10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.428 -10.869 -13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.782 -12.226 -14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.421 -14.119 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.904 -14.058 -13.864 1.00 0.00 H new ATOM 240 N SER A 19 -3.833 -5.494 -11.820 1.00 0.00 N ATOM 241 CA SER A 19 -5.026 -5.047 -11.110 1.00 0.00 C ATOM 242 C SER A 19 -6.122 -6.106 -11.172 1.00 0.00 C ATOM 243 O SER A 19 -6.688 -6.368 -12.233 1.00 0.00 O ATOM 244 CB SER A 19 -5.536 -3.733 -11.704 1.00 0.00 C ATOM 245 OG SER A 19 -6.053 -3.929 -13.009 1.00 0.00 O ATOM 0 H SER A 19 -3.553 -4.892 -12.594 1.00 0.00 H new ATOM 0 HA SER A 19 -4.759 -4.885 -10.066 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.312 -3.317 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.725 -3.006 -11.736 1.00 0.00 H new ATOM 0 HG SER A 19 -6.538 -4.780 -13.044 1.00 0.00 H new ATOM 251 N SER A 20 -6.417 -6.711 -10.026 1.00 0.00 N ATOM 252 CA SER A 20 -7.443 -7.744 -9.949 1.00 0.00 C ATOM 253 C SER A 20 -8.723 -7.194 -9.326 1.00 0.00 C ATOM 254 O SER A 20 -8.719 -6.174 -8.637 1.00 0.00 O ATOM 255 CB SER A 20 -6.937 -8.936 -9.133 1.00 0.00 C ATOM 256 OG SER A 20 -6.290 -9.884 -9.964 1.00 0.00 O ATOM 0 H SER A 20 -5.960 -6.504 -9.138 1.00 0.00 H new ATOM 0 HA SER A 20 -7.666 -8.075 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.245 -8.588 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.773 -9.409 -8.618 1.00 0.00 H new ATOM 0 HG SER A 20 -5.881 -10.580 -9.409 1.00 0.00 H new ATOM 262 N PRO A 21 -9.845 -7.885 -9.574 1.00 0.00 N ATOM 263 CA PRO A 21 -11.154 -7.486 -9.047 1.00 0.00 C ATOM 264 C PRO A 21 -11.253 -7.676 -7.538 1.00 0.00 C ATOM 265 O PRO A 21 -11.651 -6.765 -6.812 1.00 0.00 O ATOM 266 CB PRO A 21 -12.127 -8.420 -9.770 1.00 0.00 C ATOM 267 CG PRO A 21 -11.314 -9.617 -10.121 1.00 0.00 C ATOM 268 CD PRO A 21 -9.924 -9.110 -10.388 1.00 0.00 C ATOM 0 HA PRO A 21 -11.356 -6.428 -9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.968 -8.687 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.541 -7.948 -10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.315 -10.342 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.720 -10.121 -10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.168 -9.837 -10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.769 -8.900 -11.446 1.00 0.00 H new ATOM 276 N SER A 22 -10.889 -8.866 -7.071 1.00 0.00 N ATOM 277 CA SER A 22 -10.940 -9.177 -5.647 1.00 0.00 C ATOM 278 C SER A 22 -9.616 -8.840 -4.969 1.00 0.00 C ATOM 279 O SER A 22 -9.578 -8.526 -3.779 1.00 0.00 O ATOM 280 CB SER A 22 -11.271 -10.656 -5.439 1.00 0.00 C ATOM 281 OG SER A 22 -10.307 -11.487 -6.062 1.00 0.00 O ATOM 0 H SER A 22 -10.556 -9.631 -7.658 1.00 0.00 H new ATOM 0 HA SER A 22 -11.724 -8.569 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.311 -10.876 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.259 -10.872 -5.846 1.00 0.00 H new ATOM 0 HG SER A 22 -10.540 -12.427 -5.913 1.00 0.00 H new ATOM 287 N SER A 23 -8.532 -8.906 -5.735 1.00 0.00 N ATOM 288 CA SER A 23 -7.205 -8.612 -5.209 1.00 0.00 C ATOM 289 C SER A 23 -6.591 -7.411 -5.923 1.00 0.00 C ATOM 290 O SER A 23 -7.025 -7.033 -7.012 1.00 0.00 O ATOM 291 CB SER A 23 -6.292 -9.830 -5.358 1.00 0.00 C ATOM 292 OG SER A 23 -6.239 -10.266 -6.706 1.00 0.00 O ATOM 0 H SER A 23 -8.547 -9.161 -6.723 1.00 0.00 H new ATOM 0 HA SER A 23 -7.306 -8.371 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.288 -9.580 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.654 -10.640 -4.725 1.00 0.00 H new ATOM 0 HG SER A 23 -5.648 -11.044 -6.775 1.00 0.00 H new ATOM 298 N LEU A 24 -5.578 -6.816 -5.302 1.00 0.00 N ATOM 299 CA LEU A 24 -4.903 -5.658 -5.878 1.00 0.00 C ATOM 300 C LEU A 24 -3.407 -5.699 -5.585 1.00 0.00 C ATOM 301 O LEU A 24 -2.981 -5.514 -4.445 1.00 0.00 O ATOM 302 CB LEU A 24 -5.506 -4.365 -5.326 1.00 0.00 C ATOM 303 CG LEU A 24 -7.020 -4.212 -5.479 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.522 -3.032 -4.661 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.393 -4.045 -6.945 1.00 0.00 C ATOM 0 H LEU A 24 -5.206 -7.116 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.045 -5.686 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.259 -4.296 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.024 -3.522 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.498 -5.117 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.601 -2.938 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.287 -3.193 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.038 -2.118 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.474 -3.937 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.905 -3.156 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.067 -4.921 -7.505 1.00 0.00 H new ATOM 317 N SER A 25 -2.613 -5.942 -6.624 1.00 0.00 N ATOM 318 CA SER A 25 -1.163 -6.009 -6.478 1.00 0.00 C ATOM 319 C SER A 25 -0.553 -4.611 -6.463 1.00 0.00 C ATOM 320 O SER A 25 -1.000 -3.718 -7.185 1.00 0.00 O ATOM 321 CB SER A 25 -0.553 -6.832 -7.615 1.00 0.00 C ATOM 322 OG SER A 25 0.637 -7.477 -7.196 1.00 0.00 O ATOM 0 H SER A 25 -2.949 -6.096 -7.575 1.00 0.00 H new ATOM 0 HA SER A 25 -0.940 -6.494 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.273 -7.576 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.339 -6.183 -8.464 1.00 0.00 H new ATOM 0 HG SER A 25 1.006 -7.997 -7.940 1.00 0.00 H new ATOM 328 N LEU A 26 0.470 -4.428 -5.636 1.00 0.00 N ATOM 329 CA LEU A 26 1.143 -3.138 -5.526 1.00 0.00 C ATOM 330 C LEU A 26 2.640 -3.282 -5.778 1.00 0.00 C ATOM 331 O LEU A 26 3.230 -4.324 -5.495 1.00 0.00 O ATOM 332 CB LEU A 26 0.903 -2.532 -4.142 1.00 0.00 C ATOM 333 CG LEU A 26 -0.559 -2.335 -3.740 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.701 -2.333 -2.225 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.104 -1.042 -4.329 1.00 0.00 C ATOM 0 H LEU A 26 0.852 -5.156 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 26 0.728 -2.473 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.380 -3.172 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.404 -1.565 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.140 -3.167 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.748 -2.192 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.350 -3.284 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.107 -1.522 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.146 -0.918 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.519 -0.199 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.038 -1.081 -5.416 1.00 0.00 H new ATOM 347 N ALA A 27 3.250 -2.228 -6.310 1.00 0.00 N ATOM 348 CA ALA A 27 4.679 -2.235 -6.596 1.00 0.00 C ATOM 349 C ALA A 27 5.227 -0.815 -6.693 1.00 0.00 C ATOM 350 O ALA A 27 4.719 0.005 -7.458 1.00 0.00 O ATOM 351 CB ALA A 27 4.955 -2.999 -7.883 1.00 0.00 C ATOM 0 H ALA A 27 2.776 -1.358 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 27 5.187 -2.736 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.026 -2.997 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.608 -4.027 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.429 -2.521 -8.710 1.00 0.00 H new ATOM 357 N TRP A 28 6.264 -0.532 -5.914 1.00 0.00 N ATOM 358 CA TRP A 28 6.880 0.790 -5.912 1.00 0.00 C ATOM 359 C TRP A 28 8.298 0.731 -6.468 1.00 0.00 C ATOM 360 O TRP A 28 8.855 -0.350 -6.659 1.00 0.00 O ATOM 361 CB TRP A 28 6.898 1.365 -4.495 1.00 0.00 C ATOM 362 CG TRP A 28 7.019 0.316 -3.430 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.046 0.162 -2.544 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.078 -0.725 -3.143 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.801 -0.912 -1.722 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.600 -1.472 -2.069 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.846 -1.097 -3.686 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.932 -2.569 -1.531 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.184 -2.186 -3.152 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.727 -2.911 -2.083 1.00 0.00 C ATOM 0 H TRP A 28 6.696 -1.200 -5.276 1.00 0.00 H new ATOM 0 HA TRP A 28 6.286 1.441 -6.553 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.731 2.063 -4.404 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.984 1.936 -4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.922 0.792 -2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.414 -1.239 -0.975 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.418 -0.543 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.350 -3.130 -0.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.232 -2.483 -3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.184 -3.756 -1.687 1.00 0.00 H new ATOM 381 N ALA A 29 8.877 1.899 -6.727 1.00 0.00 N ATOM 382 CA ALA A 29 10.232 1.978 -7.260 1.00 0.00 C ATOM 383 C ALA A 29 11.257 2.086 -6.137 1.00 0.00 C ATOM 384 O ALA A 29 11.292 3.077 -5.407 1.00 0.00 O ATOM 385 CB ALA A 29 10.357 3.162 -8.208 1.00 0.00 C ATOM 0 H ALA A 29 8.429 2.803 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 29 10.434 1.061 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.373 3.209 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.656 3.042 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.131 4.083 -7.671 1.00 0.00 H new ATOM 391 N VAL A 30 12.092 1.060 -6.003 1.00 0.00 N ATOM 392 CA VAL A 30 13.119 1.040 -4.968 1.00 0.00 C ATOM 393 C VAL A 30 13.765 2.412 -4.809 1.00 0.00 C ATOM 394 O VAL A 30 14.624 2.816 -5.592 1.00 0.00 O ATOM 395 CB VAL A 30 14.213 0.003 -5.284 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.307 0.042 -4.227 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.612 -1.390 -5.390 1.00 0.00 C ATOM 0 H VAL A 30 12.077 0.232 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 30 12.625 0.764 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 30 14.661 0.254 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.071 -0.697 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.757 1.035 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.878 -0.183 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.399 -2.110 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.137 -1.654 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.869 -1.406 -6.187 1.00 0.00 H new ATOM 407 N PRO A 31 13.343 3.147 -3.769 1.00 0.00 N ATOM 408 CA PRO A 31 13.868 4.485 -3.481 1.00 0.00 C ATOM 409 C PRO A 31 15.313 4.449 -2.995 1.00 0.00 C ATOM 410 O PRO A 31 15.969 3.409 -3.048 1.00 0.00 O ATOM 411 CB PRO A 31 12.944 4.998 -2.374 1.00 0.00 C ATOM 412 CG PRO A 31 12.426 3.768 -1.713 1.00 0.00 C ATOM 413 CD PRO A 31 12.321 2.729 -2.795 1.00 0.00 C ATOM 0 HA PRO A 31 13.883 5.117 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.484 5.629 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.132 5.600 -2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.097 3.439 -0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.455 3.952 -1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.517 1.728 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.326 2.711 -3.239 1.00 0.00 H new ATOM 421 N ARG A 32 15.802 5.590 -2.521 1.00 0.00 N ATOM 422 CA ARG A 32 17.169 5.688 -2.026 1.00 0.00 C ATOM 423 C ARG A 32 17.204 6.348 -0.650 1.00 0.00 C ATOM 424 O ARG A 32 16.474 7.305 -0.392 1.00 0.00 O ATOM 425 CB ARG A 32 18.034 6.482 -3.006 1.00 0.00 C ATOM 426 CG ARG A 32 17.448 7.835 -3.377 1.00 0.00 C ATOM 427 CD ARG A 32 18.528 8.803 -3.835 1.00 0.00 C ATOM 428 NE ARG A 32 18.024 10.168 -3.956 1.00 0.00 N ATOM 429 CZ ARG A 32 17.399 10.628 -5.034 1.00 0.00 C ATOM 430 NH1 ARG A 32 17.202 9.835 -6.079 1.00 0.00 N ATOM 431 NH2 ARG A 32 16.969 11.883 -5.069 1.00 0.00 N ATOM 0 H ARG A 32 15.271 6.460 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 32 17.568 4.678 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.021 6.631 -2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.173 5.894 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.711 7.708 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.923 8.253 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.356 8.784 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.924 8.476 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 32 18.159 10.803 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.531 8.870 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.722 10.191 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.118 12.496 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.489 12.235 -5.898 1.00 0.00 H new ATOM 445 N ALA A 33 18.056 5.831 0.228 1.00 0.00 N ATOM 446 CA ALA A 33 18.187 6.371 1.575 1.00 0.00 C ATOM 447 C ALA A 33 19.632 6.754 1.876 1.00 0.00 C ATOM 448 O ALA A 33 20.570 6.015 1.576 1.00 0.00 O ATOM 449 CB ALA A 33 17.681 5.364 2.599 1.00 0.00 C ATOM 0 H ALA A 33 18.666 5.038 0.030 1.00 0.00 H new ATOM 0 HA ALA A 33 17.579 7.274 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.785 5.780 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.631 5.144 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.264 4.446 2.525 1.00 0.00 H new ATOM 455 N PRO A 34 19.818 7.936 2.482 1.00 0.00 N ATOM 456 CA PRO A 34 21.147 8.443 2.836 1.00 0.00 C ATOM 457 C PRO A 34 21.787 7.650 3.970 1.00 0.00 C ATOM 458 O PRO A 34 22.972 7.811 4.260 1.00 0.00 O ATOM 459 CB PRO A 34 20.871 9.882 3.278 1.00 0.00 C ATOM 460 CG PRO A 34 19.453 9.873 3.735 1.00 0.00 C ATOM 461 CD PRO A 34 18.746 8.868 2.868 1.00 0.00 C ATOM 0 HA PRO A 34 21.848 8.365 2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.544 10.185 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.018 10.583 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.384 9.598 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.004 10.861 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.948 8.360 3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.290 9.339 1.997 1.00 0.00 H new ATOM 469 N SER A 35 20.995 6.795 4.608 1.00 0.00 N ATOM 470 CA SER A 35 21.484 5.979 5.714 1.00 0.00 C ATOM 471 C SER A 35 21.161 4.505 5.486 1.00 0.00 C ATOM 472 O SER A 35 19.996 4.117 5.419 1.00 0.00 O ATOM 473 CB SER A 35 20.869 6.450 7.033 1.00 0.00 C ATOM 474 OG SER A 35 21.293 7.763 7.353 1.00 0.00 O ATOM 0 H SER A 35 20.012 6.649 4.379 1.00 0.00 H new ATOM 0 HA SER A 35 22.567 6.092 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.782 6.423 6.961 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.152 5.768 7.834 1.00 0.00 H new ATOM 0 HG SER A 35 20.885 8.041 8.199 1.00 0.00 H new ATOM 480 N GLY A 36 22.204 3.689 5.367 1.00 0.00 N ATOM 481 CA GLY A 36 22.011 2.267 5.148 1.00 0.00 C ATOM 482 C GLY A 36 21.152 1.979 3.933 1.00 0.00 C ATOM 483 O GLY A 36 21.286 2.635 2.900 1.00 0.00 O ATOM 0 H GLY A 36 23.178 3.987 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.982 1.786 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.547 1.826 6.030 1.00 0.00 H new ATOM 487 N ALA A 37 20.268 0.994 4.056 1.00 0.00 N ATOM 488 CA ALA A 37 19.383 0.621 2.959 1.00 0.00 C ATOM 489 C ALA A 37 18.015 0.192 3.479 1.00 0.00 C ATOM 490 O ALA A 37 17.876 -0.204 4.636 1.00 0.00 O ATOM 491 CB ALA A 37 20.009 -0.492 2.132 1.00 0.00 C ATOM 0 H ALA A 37 20.146 0.440 4.904 1.00 0.00 H new ATOM 0 HA ALA A 37 19.243 1.496 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.338 -0.761 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.959 -0.150 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.179 -1.364 2.764 1.00 0.00 H new ATOM 497 N VAL A 38 17.007 0.274 2.617 1.00 0.00 N ATOM 498 CA VAL A 38 15.650 -0.107 2.989 1.00 0.00 C ATOM 499 C VAL A 38 15.596 -1.554 3.465 1.00 0.00 C ATOM 500 O VAL A 38 15.863 -2.481 2.699 1.00 0.00 O ATOM 501 CB VAL A 38 14.674 0.072 1.811 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.305 -0.492 2.161 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.571 1.539 1.422 1.00 0.00 C ATOM 0 H VAL A 38 17.105 0.601 1.656 1.00 0.00 H new ATOM 0 HA VAL A 38 15.349 0.551 3.804 1.00 0.00 H new ATOM 0 HB VAL A 38 15.061 -0.481 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.629 -0.356 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.396 -1.555 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.908 0.030 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.877 1.646 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.208 2.116 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.553 1.907 1.126 1.00 0.00 H new ATOM 513 N LEU A 39 15.247 -1.742 4.733 1.00 0.00 N ATOM 514 CA LEU A 39 15.157 -3.077 5.312 1.00 0.00 C ATOM 515 C LEU A 39 13.841 -3.749 4.930 1.00 0.00 C ATOM 516 O LEU A 39 13.831 -4.859 4.399 1.00 0.00 O ATOM 517 CB LEU A 39 15.282 -3.004 6.835 1.00 0.00 C ATOM 518 CG LEU A 39 16.547 -2.335 7.373 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.441 -2.122 8.875 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.776 -3.168 7.036 1.00 0.00 C ATOM 0 H LEU A 39 15.022 -0.986 5.380 1.00 0.00 H new ATOM 0 HA LEU A 39 15.978 -3.674 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.417 -2.467 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.234 -4.018 7.233 1.00 0.00 H new ATOM 0 HG LEU A 39 16.651 -1.361 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.351 -1.645 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.584 -1.484 9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.312 -3.084 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.667 -2.676 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.680 -4.156 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.862 -3.268 5.954 1.00 0.00 H new ATOM 532 N ASP A 40 12.734 -3.067 5.203 1.00 0.00 N ATOM 533 CA ASP A 40 11.413 -3.595 4.885 1.00 0.00 C ATOM 534 C ASP A 40 10.448 -2.468 4.529 1.00 0.00 C ATOM 535 O ASP A 40 10.816 -1.293 4.546 1.00 0.00 O ATOM 536 CB ASP A 40 10.864 -4.399 6.065 1.00 0.00 C ATOM 537 CG ASP A 40 11.894 -5.346 6.649 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.039 -6.466 6.117 1.00 0.00 O ATOM 539 OD2 ASP A 40 12.555 -4.967 7.639 1.00 0.00 O ATOM 0 H ASP A 40 12.726 -2.147 5.644 1.00 0.00 H new ATOM 0 HA ASP A 40 11.510 -4.252 4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.524 -3.713 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.994 -4.969 5.739 1.00 0.00 H new ATOM 544 N TYR A 41 9.213 -2.834 4.205 1.00 0.00 N ATOM 545 CA TYR A 41 8.197 -1.855 3.840 1.00 0.00 C ATOM 546 C TYR A 41 6.896 -2.114 4.594 1.00 0.00 C ATOM 547 O TYR A 41 6.731 -3.155 5.228 1.00 0.00 O ATOM 548 CB TYR A 41 7.941 -1.890 2.333 1.00 0.00 C ATOM 549 CG TYR A 41 9.176 -1.619 1.503 1.00 0.00 C ATOM 550 CD1 TYR A 41 10.163 -2.586 1.356 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.356 -0.398 0.867 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.294 -2.343 0.600 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.482 -0.147 0.107 1.00 0.00 C ATOM 554 CZ TYR A 41 11.448 -1.122 -0.023 1.00 0.00 C ATOM 555 OH TYR A 41 12.572 -0.876 -0.778 1.00 0.00 O ATOM 0 H TYR A 41 8.892 -3.802 4.188 1.00 0.00 H new ATOM 0 HA TYR A 41 8.566 -0.867 4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.539 -2.867 2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.178 -1.152 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.044 -3.544 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.602 0.369 0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.053 -3.105 0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.605 0.808 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 41 12.352 -0.248 -1.497 1.00 0.00 H new ATOM 565 N GLU A 42 5.975 -1.158 4.518 1.00 0.00 N ATOM 566 CA GLU A 42 4.688 -1.282 5.193 1.00 0.00 C ATOM 567 C GLU A 42 3.545 -0.883 4.264 1.00 0.00 C ATOM 568 O GLU A 42 3.690 0.015 3.435 1.00 0.00 O ATOM 569 CB GLU A 42 4.662 -0.415 6.453 1.00 0.00 C ATOM 570 CG GLU A 42 3.731 -0.938 7.534 1.00 0.00 C ATOM 571 CD GLU A 42 3.374 0.121 8.559 1.00 0.00 C ATOM 572 OE1 GLU A 42 2.977 1.232 8.151 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.493 -0.162 9.770 1.00 0.00 O ATOM 0 H GLU A 42 6.096 -0.290 3.996 1.00 0.00 H new ATOM 0 HA GLU A 42 4.555 -2.326 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.672 -0.347 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.358 0.596 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.818 -1.313 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.203 -1.781 8.038 1.00 0.00 H new ATOM 580 N VAL A 43 2.410 -1.558 4.409 1.00 0.00 N ATOM 581 CA VAL A 43 1.241 -1.274 3.584 1.00 0.00 C ATOM 582 C VAL A 43 0.008 -1.025 4.445 1.00 0.00 C ATOM 583 O VAL A 43 -0.546 -1.951 5.039 1.00 0.00 O ATOM 584 CB VAL A 43 0.949 -2.430 2.609 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.248 -2.098 1.730 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.175 -2.735 1.762 1.00 0.00 C ATOM 0 H VAL A 43 2.274 -2.305 5.090 1.00 0.00 H new ATOM 0 HA VAL A 43 1.468 -0.374 3.012 1.00 0.00 H new ATOM 0 HB VAL A 43 0.707 -3.320 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.439 -2.926 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.125 -1.934 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.038 -1.196 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.951 -3.554 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.451 -1.850 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.004 -3.020 2.410 1.00 0.00 H new ATOM 596 N LYS A 44 -0.419 0.231 4.508 1.00 0.00 N ATOM 597 CA LYS A 44 -1.589 0.604 5.295 1.00 0.00 C ATOM 598 C LYS A 44 -2.741 1.025 4.389 1.00 0.00 C ATOM 599 O LYS A 44 -2.720 2.108 3.804 1.00 0.00 O ATOM 600 CB LYS A 44 -1.240 1.742 6.257 1.00 0.00 C ATOM 601 CG LYS A 44 -2.445 2.315 6.982 1.00 0.00 C ATOM 602 CD LYS A 44 -2.140 3.680 7.578 1.00 0.00 C ATOM 603 CE LYS A 44 -3.293 4.186 8.431 1.00 0.00 C ATOM 604 NZ LYS A 44 -4.343 4.848 7.608 1.00 0.00 N ATOM 0 H LYS A 44 0.028 1.009 4.023 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.902 -0.267 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.523 1.378 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.748 2.540 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.282 2.398 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.753 1.632 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.236 3.620 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.939 4.391 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.733 3.352 8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.915 4.890 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.111 5.179 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.930 5.659 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.722 4.169 6.918 1.00 0.00 H new ATOM 618 N TYR A 45 -3.746 0.164 4.279 1.00 0.00 N ATOM 619 CA TYR A 45 -4.908 0.446 3.444 1.00 0.00 C ATOM 620 C TYR A 45 -6.183 0.485 4.280 1.00 0.00 C ATOM 621 O TYR A 45 -6.447 -0.418 5.075 1.00 0.00 O ATOM 622 CB TYR A 45 -5.038 -0.606 2.343 1.00 0.00 C ATOM 623 CG TYR A 45 -5.051 -2.027 2.861 1.00 0.00 C ATOM 624 CD1 TYR A 45 -3.910 -2.595 3.415 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.204 -2.800 2.797 1.00 0.00 C ATOM 626 CE1 TYR A 45 -3.917 -3.893 3.888 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.220 -4.098 3.270 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.074 -4.640 3.814 1.00 0.00 C ATOM 629 OH TYR A 45 -5.085 -5.933 4.286 1.00 0.00 O ATOM 0 H TYR A 45 -3.780 -0.736 4.758 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.766 1.425 2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.956 -0.423 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.211 -0.491 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.003 -2.012 3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.103 -2.379 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.021 -4.321 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.125 -4.685 3.214 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.977 -6.319 4.161 1.00 0.00 H new ATOM 639 N HIS A 46 -6.973 1.538 4.095 1.00 0.00 N ATOM 640 CA HIS A 46 -8.223 1.695 4.830 1.00 0.00 C ATOM 641 C HIS A 46 -9.344 2.156 3.903 1.00 0.00 C ATOM 642 O HIS A 46 -9.217 3.168 3.217 1.00 0.00 O ATOM 643 CB HIS A 46 -8.045 2.697 5.971 1.00 0.00 C ATOM 644 CG HIS A 46 -7.706 4.080 5.507 1.00 0.00 C ATOM 645 ND1 HIS A 46 -6.499 4.404 4.925 1.00 0.00 N ATOM 646 CD2 HIS A 46 -8.426 5.226 5.539 1.00 0.00 C ATOM 647 CE1 HIS A 46 -6.489 5.690 4.621 1.00 0.00 C ATOM 648 NE2 HIS A 46 -7.647 6.212 4.983 1.00 0.00 N ATOM 0 H HIS A 46 -6.770 2.295 3.442 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.495 0.725 5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.963 2.734 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.257 2.342 6.635 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.426 5.343 5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.673 6.223 4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.919 7.188 4.868 1.00 0.00 H new ATOM 657 N GLU A 47 -10.441 1.404 3.890 1.00 0.00 N ATOM 658 CA GLU A 47 -11.583 1.735 3.046 1.00 0.00 C ATOM 659 C GLU A 47 -11.989 3.195 3.228 1.00 0.00 C ATOM 660 O GLU A 47 -12.197 3.658 4.350 1.00 0.00 O ATOM 661 CB GLU A 47 -12.766 0.821 3.370 1.00 0.00 C ATOM 662 CG GLU A 47 -13.762 0.687 2.230 1.00 0.00 C ATOM 663 CD GLU A 47 -14.750 -0.442 2.448 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.352 -0.500 3.541 1.00 0.00 O ATOM 665 OE2 GLU A 47 -14.922 -1.267 1.527 1.00 0.00 O ATOM 0 H GLU A 47 -10.562 0.563 4.454 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.290 1.584 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.389 -0.168 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.282 1.207 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.307 1.624 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.222 0.517 1.299 1.00 0.00 H new ATOM 672 N LYS A 48 -12.100 3.915 2.117 1.00 0.00 N ATOM 673 CA LYS A 48 -12.481 5.321 2.151 1.00 0.00 C ATOM 674 C LYS A 48 -13.903 5.487 2.678 1.00 0.00 C ATOM 675 O LYS A 48 -14.183 6.392 3.463 1.00 0.00 O ATOM 676 CB LYS A 48 -12.369 5.936 0.754 1.00 0.00 C ATOM 677 CG LYS A 48 -12.392 7.454 0.754 1.00 0.00 C ATOM 678 CD LYS A 48 -12.268 8.014 -0.653 1.00 0.00 C ATOM 679 CE LYS A 48 -12.048 9.519 -0.638 1.00 0.00 C ATOM 680 NZ LYS A 48 -12.187 10.114 -1.996 1.00 0.00 N ATOM 0 H LYS A 48 -11.931 3.547 1.181 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.799 5.839 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.444 5.595 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.190 5.569 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.320 7.805 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.576 7.831 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.438 7.529 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.171 7.783 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.766 9.984 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.054 9.737 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.030 11.141 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.485 9.689 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.143 9.929 -2.360 1.00 0.00 H new ATOM 769 N VAL A 56 -9.209 0.009 9.254 1.00 0.00 N ATOM 770 CA VAL A 56 -7.852 0.180 8.747 1.00 0.00 C ATOM 771 C VAL A 56 -7.044 -1.104 8.897 1.00 0.00 C ATOM 772 O VAL A 56 -6.970 -1.680 9.983 1.00 0.00 O ATOM 773 CB VAL A 56 -7.120 1.322 9.475 1.00 0.00 C ATOM 774 CG1 VAL A 56 -5.744 1.547 8.867 1.00 0.00 C ATOM 775 CG2 VAL A 56 -7.947 2.599 9.430 1.00 0.00 C ATOM 0 HA VAL A 56 -7.939 0.430 7.690 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.988 1.038 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.241 2.358 9.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.153 0.635 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.850 1.809 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.415 3.396 9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.112 2.889 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.907 2.428 9.916 1.00 0.00 H new ATOM 785 N ARG A 57 -6.439 -1.548 7.800 1.00 0.00 N ATOM 786 CA ARG A 57 -5.636 -2.765 7.810 1.00 0.00 C ATOM 787 C ARG A 57 -4.159 -2.443 7.602 1.00 0.00 C ATOM 788 O ARG A 57 -3.805 -1.339 7.189 1.00 0.00 O ATOM 789 CB ARG A 57 -6.117 -3.727 6.722 1.00 0.00 C ATOM 790 CG ARG A 57 -7.299 -4.583 7.145 1.00 0.00 C ATOM 791 CD ARG A 57 -8.572 -3.759 7.256 1.00 0.00 C ATOM 792 NE ARG A 57 -9.605 -4.448 8.026 1.00 0.00 N ATOM 793 CZ ARG A 57 -10.277 -5.502 7.576 1.00 0.00 C ATOM 794 NH1 ARG A 57 -10.026 -5.985 6.368 1.00 0.00 N ATOM 795 NH2 ARG A 57 -11.202 -6.074 8.337 1.00 0.00 N ATOM 0 H ARG A 57 -6.490 -1.083 6.893 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.753 -3.240 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.393 -3.153 5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.292 -4.379 6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.446 -5.386 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.084 -5.054 8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.345 -2.803 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.950 -3.540 6.257 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.822 -4.101 8.960 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.315 -5.548 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.543 -6.794 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.397 -5.704 9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.718 -6.883 7.991 1.00 0.00 H new ATOM 809 N PHE A 58 -3.301 -3.415 7.894 1.00 0.00 N ATOM 810 CA PHE A 58 -1.862 -3.235 7.741 1.00 0.00 C ATOM 811 C PHE A 58 -1.212 -4.498 7.184 1.00 0.00 C ATOM 812 O PHE A 58 -1.680 -5.611 7.428 1.00 0.00 O ATOM 813 CB PHE A 58 -1.226 -2.871 9.084 1.00 0.00 C ATOM 814 CG PHE A 58 -1.540 -1.474 9.537 1.00 0.00 C ATOM 815 CD1 PHE A 58 -0.740 -0.410 9.153 1.00 0.00 C ATOM 816 CD2 PHE A 58 -2.636 -1.224 10.347 1.00 0.00 C ATOM 817 CE1 PHE A 58 -1.026 0.877 9.567 1.00 0.00 C ATOM 818 CE2 PHE A 58 -2.928 0.061 10.764 1.00 0.00 C ATOM 819 CZ PHE A 58 -2.121 1.113 10.375 1.00 0.00 C ATOM 0 H PHE A 58 -3.577 -4.335 8.238 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.696 -2.421 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.568 -3.576 9.842 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.145 -2.985 9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.118 -0.589 8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.269 -2.042 10.656 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.394 1.697 9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.786 0.243 11.394 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.346 2.117 10.702 1.00 0.00 H new ATOM 829 N LEU A 59 -0.130 -4.318 6.434 1.00 0.00 N ATOM 830 CA LEU A 59 0.585 -5.443 5.841 1.00 0.00 C ATOM 831 C LEU A 59 2.060 -5.106 5.642 1.00 0.00 C ATOM 832 O LEU A 59 2.408 -4.243 4.836 1.00 0.00 O ATOM 833 CB LEU A 59 -0.047 -5.826 4.502 1.00 0.00 C ATOM 834 CG LEU A 59 0.793 -6.728 3.596 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.528 -8.192 3.908 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.503 -6.432 2.132 1.00 0.00 C ATOM 0 H LEU A 59 0.271 -3.404 6.222 1.00 0.00 H new ATOM 0 HA LEU A 59 0.513 -6.289 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.995 -6.326 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.277 -4.911 3.957 1.00 0.00 H new ATOM 0 HG LEU A 59 1.846 -6.522 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.134 -8.819 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.787 -8.395 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.527 -8.413 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.109 -7.083 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.553 -6.610 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.744 -5.391 1.917 1.00 0.00 H new ATOM 848 N LYS A 60 2.923 -5.794 6.381 1.00 0.00 N ATOM 849 CA LYS A 60 4.361 -5.572 6.284 1.00 0.00 C ATOM 850 C LYS A 60 5.014 -6.617 5.385 1.00 0.00 C ATOM 851 O LYS A 60 4.702 -7.806 5.467 1.00 0.00 O ATOM 852 CB LYS A 60 4.998 -5.611 7.675 1.00 0.00 C ATOM 853 CG LYS A 60 4.665 -4.401 8.531 1.00 0.00 C ATOM 854 CD LYS A 60 4.652 -4.751 10.009 1.00 0.00 C ATOM 855 CE LYS A 60 4.806 -3.510 10.876 1.00 0.00 C ATOM 856 NZ LYS A 60 4.398 -3.765 12.286 1.00 0.00 N ATOM 0 H LYS A 60 2.652 -6.511 7.054 1.00 0.00 H new ATOM 0 HA LYS A 60 4.523 -4.588 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.668 -6.513 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.080 -5.683 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.396 -3.613 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.691 -4.006 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.718 -5.256 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.459 -5.450 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.844 -3.177 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.202 -2.702 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.517 -2.896 12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.401 -4.058 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.991 -4.519 12.688 1.00 0.00 H new ATOM 870 N THR A 61 5.924 -6.167 4.526 1.00 0.00 N ATOM 871 CA THR A 61 6.621 -7.063 3.612 1.00 0.00 C ATOM 872 C THR A 61 8.032 -6.563 3.322 1.00 0.00 C ATOM 873 O THR A 61 8.253 -5.365 3.150 1.00 0.00 O ATOM 874 CB THR A 61 5.858 -7.214 2.283 1.00 0.00 C ATOM 875 OG1 THR A 61 6.617 -8.015 1.371 1.00 0.00 O ATOM 876 CG2 THR A 61 5.581 -5.854 1.660 1.00 0.00 C ATOM 0 H THR A 61 6.195 -5.187 4.445 1.00 0.00 H new ATOM 0 HA THR A 61 6.677 -8.035 4.102 1.00 0.00 H new ATOM 0 HB THR A 61 4.906 -7.702 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.124 -8.108 0.529 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.041 -5.986 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.979 -5.256 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.524 -5.343 1.467 1.00 0.00 H new ATOM 884 N SER A 62 8.983 -7.490 3.268 1.00 0.00 N ATOM 885 CA SER A 62 10.374 -7.142 3.001 1.00 0.00 C ATOM 886 C SER A 62 10.547 -6.657 1.564 1.00 0.00 C ATOM 887 O SER A 62 11.349 -5.765 1.292 1.00 0.00 O ATOM 888 CB SER A 62 11.281 -8.347 3.257 1.00 0.00 C ATOM 889 OG SER A 62 11.129 -9.325 2.242 1.00 0.00 O ATOM 0 H SER A 62 8.816 -8.487 3.405 1.00 0.00 H new ATOM 0 HA SER A 62 10.656 -6.334 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.320 -8.021 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.044 -8.785 4.227 1.00 0.00 H new ATOM 0 HG SER A 62 11.721 -10.084 2.428 1.00 0.00 H new ATOM 895 N GLU A 63 9.788 -7.253 0.650 1.00 0.00 N ATOM 896 CA GLU A 63 9.857 -6.883 -0.759 1.00 0.00 C ATOM 897 C GLU A 63 9.145 -5.557 -1.008 1.00 0.00 C ATOM 898 O GLU A 63 8.383 -5.081 -0.168 1.00 0.00 O ATOM 899 CB GLU A 63 9.238 -7.979 -1.628 1.00 0.00 C ATOM 900 CG GLU A 63 10.234 -9.036 -2.076 1.00 0.00 C ATOM 901 CD GLU A 63 9.588 -10.390 -2.295 1.00 0.00 C ATOM 902 OE1 GLU A 63 9.175 -11.019 -1.298 1.00 0.00 O ATOM 903 OE2 GLU A 63 9.495 -10.821 -3.464 1.00 0.00 O ATOM 0 H GLU A 63 9.119 -7.994 0.860 1.00 0.00 H new ATOM 0 HA GLU A 63 10.907 -6.768 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.434 -8.462 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.786 -7.521 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.711 -8.711 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.020 -9.130 -1.327 1.00 0.00 H new ATOM 910 N ASN A 64 9.399 -4.965 -2.171 1.00 0.00 N ATOM 911 CA ASN A 64 8.784 -3.693 -2.532 1.00 0.00 C ATOM 912 C ASN A 64 7.506 -3.916 -3.335 1.00 0.00 C ATOM 913 O ASN A 64 7.149 -3.105 -4.190 1.00 0.00 O ATOM 914 CB ASN A 64 9.764 -2.839 -3.338 1.00 0.00 C ATOM 915 CG ASN A 64 10.197 -3.514 -4.625 1.00 0.00 C ATOM 916 OD1 ASN A 64 10.105 -4.734 -4.760 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.672 -2.721 -5.578 1.00 0.00 N ATOM 0 H ASN A 64 10.026 -5.346 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 64 8.527 -3.168 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.299 -1.881 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.643 -2.627 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.979 -3.118 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.730 -1.715 -5.422 1.00 0.00 H new ATOM 924 N ARG A 65 6.822 -5.020 -3.054 1.00 0.00 N ATOM 925 CA ARG A 65 5.584 -5.350 -3.751 1.00 0.00 C ATOM 926 C ARG A 65 4.746 -6.330 -2.935 1.00 0.00 C ATOM 927 O ARG A 65 5.275 -7.265 -2.336 1.00 0.00 O ATOM 928 CB ARG A 65 5.891 -5.946 -5.126 1.00 0.00 C ATOM 929 CG ARG A 65 6.826 -7.144 -5.075 1.00 0.00 C ATOM 930 CD ARG A 65 7.164 -7.645 -6.470 1.00 0.00 C ATOM 931 NE ARG A 65 6.215 -8.654 -6.935 1.00 0.00 N ATOM 932 CZ ARG A 65 6.324 -9.285 -8.098 1.00 0.00 C ATOM 933 NH1 ARG A 65 7.336 -9.013 -8.911 1.00 0.00 N ATOM 934 NH2 ARG A 65 5.421 -10.190 -8.451 1.00 0.00 N ATOM 0 H ARG A 65 7.104 -5.701 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 65 5.013 -4.431 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.956 -6.245 -5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.335 -5.175 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.743 -6.870 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.361 -7.946 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.170 -6.805 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.169 -8.066 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 65 5.425 -8.886 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.033 -8.318 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.418 -9.499 -9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.641 -10.402 -7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.506 -10.674 -9.345 1.00 0.00 H new ATOM 948 N ALA A 66 3.436 -6.108 -2.917 1.00 0.00 N ATOM 949 CA ALA A 66 2.525 -6.971 -2.177 1.00 0.00 C ATOM 950 C ALA A 66 1.251 -7.236 -2.973 1.00 0.00 C ATOM 951 O ALA A 66 1.010 -6.606 -4.002 1.00 0.00 O ATOM 952 CB ALA A 66 2.187 -6.351 -0.829 1.00 0.00 C ATOM 0 H ALA A 66 2.982 -5.337 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 66 3.024 -7.926 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.506 -7.007 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.101 -6.219 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.712 -5.382 -0.983 1.00 0.00 H new ATOM 958 N GLU A 67 0.441 -8.173 -2.490 1.00 0.00 N ATOM 959 CA GLU A 67 -0.808 -8.521 -3.159 1.00 0.00 C ATOM 960 C GLU A 67 -1.954 -8.614 -2.156 1.00 0.00 C ATOM 961 O GLU A 67 -2.086 -9.604 -1.436 1.00 0.00 O ATOM 962 CB GLU A 67 -0.659 -9.849 -3.904 1.00 0.00 C ATOM 963 CG GLU A 67 -1.936 -10.310 -4.586 1.00 0.00 C ATOM 964 CD GLU A 67 -1.676 -11.302 -5.703 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.175 -12.408 -5.408 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.972 -10.973 -6.870 1.00 0.00 O ATOM 0 H GLU A 67 0.627 -8.704 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.039 -7.734 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.127 -9.750 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.335 -10.616 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.594 -10.766 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.461 -9.444 -4.989 1.00 0.00 H new ATOM 973 N LEU A 68 -2.782 -7.575 -2.115 1.00 0.00 N ATOM 974 CA LEU A 68 -3.918 -7.537 -1.201 1.00 0.00 C ATOM 975 C LEU A 68 -5.029 -8.469 -1.675 1.00 0.00 C ATOM 976 O LEU A 68 -5.484 -8.378 -2.815 1.00 0.00 O ATOM 977 CB LEU A 68 -4.452 -6.109 -1.078 1.00 0.00 C ATOM 978 CG LEU A 68 -3.418 -5.033 -0.746 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.056 -3.652 -0.775 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.786 -5.301 0.612 1.00 0.00 C ATOM 0 H LEU A 68 -2.687 -6.748 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.577 -7.876 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.937 -5.841 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.222 -6.095 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.634 -5.065 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.305 -2.899 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.460 -3.459 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.860 -3.607 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.053 -4.525 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.559 -5.297 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.293 -6.273 0.598 1.00 0.00 H new ATOM 992 N ARG A 69 -5.462 -9.362 -0.792 1.00 0.00 N ATOM 993 CA ARG A 69 -6.521 -10.309 -1.119 1.00 0.00 C ATOM 994 C ARG A 69 -7.787 -10.006 -0.324 1.00 0.00 C ATOM 995 O ARG A 69 -7.730 -9.406 0.749 1.00 0.00 O ATOM 996 CB ARG A 69 -6.060 -11.740 -0.838 1.00 0.00 C ATOM 997 CG ARG A 69 -4.758 -12.108 -1.532 1.00 0.00 C ATOM 998 CD ARG A 69 -4.139 -13.358 -0.928 1.00 0.00 C ATOM 999 NE ARG A 69 -3.764 -13.163 0.470 1.00 0.00 N ATOM 1000 CZ ARG A 69 -3.000 -14.010 1.151 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -2.532 -15.104 0.565 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.703 -13.763 2.420 1.00 0.00 N ATOM 0 H ARG A 69 -5.096 -9.450 0.156 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.747 -10.209 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.938 -11.869 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.839 -12.433 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.943 -12.269 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.055 -11.278 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.846 -14.184 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.258 -13.640 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.107 -12.331 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.758 -15.297 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.946 -15.753 1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.061 -12.922 2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.116 -14.414 2.942 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.931 -10.425 -0.858 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.194 -10.189 -0.184 1.00 0.00 C ATOM 1018 C GLY A 70 -10.554 -8.718 -0.126 1.00 0.00 C ATOM 1019 O GLY A 70 -10.363 -8.064 0.900 1.00 0.00 O ATOM 0 H GLY A 70 -9.005 -10.923 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.985 -10.733 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.142 -10.587 0.829 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.075 -8.193 -1.230 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.461 -6.788 -1.302 1.00 0.00 C ATOM 1025 C LEU A 71 -12.833 -6.633 -1.949 1.00 0.00 C ATOM 1026 O LEU A 71 -13.345 -7.561 -2.576 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.419 -5.992 -2.091 1.00 0.00 C ATOM 1028 CG LEU A 71 -9.014 -5.947 -1.490 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -8.005 -5.477 -2.527 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.985 -5.043 -0.267 1.00 0.00 C ATOM 0 H LEU A 71 -11.240 -8.720 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.513 -6.398 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.351 -6.415 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.779 -4.969 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.741 -6.955 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.011 -5.451 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.006 -6.164 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.275 -4.478 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.977 -5.023 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.279 -4.033 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.678 -5.424 0.483 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.424 -5.453 -1.795 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.736 -5.173 -2.367 1.00 0.00 C ATOM 1044 C LYS A 72 -14.610 -4.704 -3.813 1.00 0.00 C ATOM 1045 O LYS A 72 -14.717 -3.512 -4.100 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.461 -4.112 -1.537 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.204 -4.679 -0.340 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.617 -5.099 -0.708 1.00 0.00 C ATOM 1049 CE LYS A 72 -17.633 -6.451 -1.404 1.00 0.00 C ATOM 1050 NZ LYS A 72 -18.903 -7.188 -1.156 1.00 0.00 N ATOM 0 H LYS A 72 -13.015 -4.674 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.316 -6.096 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.735 -3.377 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.168 -3.584 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.660 -5.537 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.240 -3.933 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.230 -5.145 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.063 -4.348 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.499 -6.309 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.792 -7.049 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.874 -8.104 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.019 -7.346 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.704 -6.629 -1.513 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.384 -5.649 -4.719 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.245 -5.332 -6.136 1.00 0.00 C ATOM 1066 C ARG A 73 -15.137 -4.156 -6.520 1.00 0.00 C ATOM 1067 O ARG A 73 -16.327 -4.325 -6.780 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.595 -6.552 -6.990 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.887 -7.236 -6.575 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.636 -8.321 -5.540 1.00 0.00 C ATOM 1071 NE ARG A 73 -16.618 -9.399 -5.627 1.00 0.00 N ATOM 1072 CZ ARG A 73 -16.620 -10.316 -6.588 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -15.696 -10.286 -7.539 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -17.547 -11.265 -6.600 1.00 0.00 N ATOM 0 H ARG A 73 -14.293 -6.641 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.207 -5.054 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.676 -6.244 -8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.778 -7.272 -6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.577 -6.497 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.367 -7.672 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.635 -8.730 -5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.665 -7.884 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.342 -9.450 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.982 -9.558 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.700 -10.991 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.260 -11.291 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.547 -11.968 -7.339 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.552 -2.962 -6.552 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.309 -1.775 -6.905 1.00 0.00 C ATOM 1090 C GLY A 74 -15.588 -0.889 -5.707 1.00 0.00 C ATOM 1091 O GLY A 74 -16.717 -0.441 -5.508 1.00 0.00 O ATOM 0 H GLY A 74 -13.568 -2.796 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.758 -1.206 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.253 -2.072 -7.361 1.00 0.00 H new ATOM 1095 N ALA A 75 -14.558 -0.636 -4.906 1.00 0.00 N ATOM 1096 CA ALA A 75 -14.698 0.202 -3.722 1.00 0.00 C ATOM 1097 C ALA A 75 -13.447 1.043 -3.494 1.00 0.00 C ATOM 1098 O ALA A 75 -12.326 0.555 -3.630 1.00 0.00 O ATOM 1099 CB ALA A 75 -14.990 -0.656 -2.500 1.00 0.00 C ATOM 0 H ALA A 75 -13.617 -1.000 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.535 0.881 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.092 -0.017 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.916 -1.209 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.171 -1.358 -2.344 1.00 0.00 H new ATOM 1105 N SER A 76 -13.647 2.311 -3.146 1.00 0.00 N ATOM 1106 CA SER A 76 -12.534 3.221 -2.903 1.00 0.00 C ATOM 1107 C SER A 76 -11.613 2.675 -1.817 1.00 0.00 C ATOM 1108 O SER A 76 -12.055 2.366 -0.710 1.00 0.00 O ATOM 1109 CB SER A 76 -13.056 4.601 -2.499 1.00 0.00 C ATOM 1110 OG SER A 76 -13.494 5.333 -3.631 1.00 0.00 O ATOM 0 H SER A 76 -14.569 2.731 -3.026 1.00 0.00 H new ATOM 0 HA SER A 76 -11.963 3.312 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.879 4.489 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.270 5.155 -1.986 1.00 0.00 H new ATOM 0 HG SER A 76 -13.824 6.210 -3.345 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.330 2.560 -2.141 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.345 2.050 -1.195 1.00 0.00 C ATOM 1118 C TYR A 77 -8.077 2.897 -1.218 1.00 0.00 C ATOM 1119 O TYR A 77 -7.321 2.879 -2.191 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.005 0.593 -1.517 1.00 0.00 C ATOM 1121 CG TYR A 77 -9.979 -0.401 -0.927 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.002 -0.654 0.439 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.877 -1.088 -1.735 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.890 -1.562 0.983 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.769 -1.996 -1.200 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.772 -2.230 0.160 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.658 -3.135 0.696 1.00 0.00 O ATOM 0 H TYR A 77 -9.948 2.813 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.777 2.103 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.980 0.465 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.004 0.372 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.314 -0.132 1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.877 -0.909 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.893 -1.748 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.461 -2.520 -1.843 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.462 -2.665 0.999 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.849 3.638 -0.140 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.672 4.493 -0.034 1.00 0.00 C ATOM 1139 C LEU A 78 -5.443 3.681 0.364 1.00 0.00 C ATOM 1140 O LEU A 78 -5.244 3.373 1.539 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.915 5.605 0.988 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.560 6.883 0.449 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -6.737 7.455 -0.694 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -8.987 6.610 -0.003 1.00 0.00 C ATOM 0 H LEU A 78 -8.464 3.664 0.674 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.489 4.940 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.548 5.209 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.960 5.868 1.443 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.589 7.619 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.211 8.364 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.733 7.689 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.675 6.723 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.430 7.530 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.981 5.857 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.573 6.247 0.841 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.621 3.340 -0.623 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.409 2.567 -0.376 1.00 0.00 C ATOM 1158 C VAL A 79 -2.213 3.482 -0.138 1.00 0.00 C ATOM 1159 O VAL A 79 -1.896 4.333 -0.968 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.095 1.625 -1.554 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.820 0.840 -1.284 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.264 0.687 -1.811 1.00 0.00 C ATOM 0 H VAL A 79 -4.772 3.587 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.590 1.971 0.518 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.939 2.228 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.614 0.180 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.988 1.532 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.944 0.245 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.025 0.029 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.453 0.089 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.153 1.271 -2.051 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.552 3.298 1.001 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.390 4.107 1.348 1.00 0.00 C ATOM 1174 C GLN A 80 0.788 3.225 1.749 1.00 0.00 C ATOM 1175 O GLN A 80 0.711 2.474 2.721 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.734 5.068 2.487 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.302 6.396 2.013 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.786 6.321 1.712 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -3.199 5.736 0.711 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.597 6.916 2.580 1.00 0.00 N ATOM 0 H GLN A 80 -1.801 2.596 1.698 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.105 4.684 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.456 4.590 3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.164 5.256 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.128 7.155 2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.769 6.716 1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.211 7.390 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.606 6.899 2.430 1.00 0.00 H new ATOM 1189 N VAL A 81 1.877 3.320 0.992 1.00 0.00 N ATOM 1190 CA VAL A 81 3.071 2.531 1.269 1.00 0.00 C ATOM 1191 C VAL A 81 4.187 3.403 1.833 1.00 0.00 C ATOM 1192 O VAL A 81 4.441 4.501 1.338 1.00 0.00 O ATOM 1193 CB VAL A 81 3.580 1.820 0.001 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.848 1.035 0.302 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.502 0.911 -0.569 1.00 0.00 C ATOM 0 H VAL A 81 1.956 3.935 0.183 1.00 0.00 H new ATOM 0 HA VAL A 81 2.791 1.781 2.009 1.00 0.00 H new ATOM 0 HB VAL A 81 3.818 2.575 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.193 0.539 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.621 1.715 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.640 0.287 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.879 0.417 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.230 0.160 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.624 1.504 -0.824 1.00 0.00 H new ATOM 1205 N ARG A 82 4.852 2.906 2.871 1.00 0.00 N ATOM 1206 CA ARG A 82 5.941 3.640 3.503 1.00 0.00 C ATOM 1207 C ARG A 82 7.179 2.760 3.646 1.00 0.00 C ATOM 1208 O ARG A 82 7.073 1.547 3.826 1.00 0.00 O ATOM 1209 CB ARG A 82 5.508 4.156 4.876 1.00 0.00 C ATOM 1210 CG ARG A 82 5.220 3.051 5.879 1.00 0.00 C ATOM 1211 CD ARG A 82 4.993 3.611 7.275 1.00 0.00 C ATOM 1212 NE ARG A 82 5.115 2.581 8.303 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.852 2.791 9.588 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.455 3.987 10.000 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.985 1.804 10.464 1.00 0.00 N ATOM 0 H ARG A 82 4.655 1.998 3.292 1.00 0.00 H new ATOM 0 HA ARG A 82 6.191 4.488 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.290 4.802 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.615 4.770 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.340 2.491 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.054 2.349 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.715 4.405 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.002 4.061 7.328 1.00 0.00 H new ATOM 0 HE ARG A 82 5.419 1.650 8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.351 4.749 9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.254 4.145 10.987 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.290 0.882 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.783 1.967 11.450 1.00 0.00 H new ATOM 1229 N ALA A 83 8.352 3.379 3.565 1.00 0.00 N ATOM 1230 CA ALA A 83 9.610 2.652 3.687 1.00 0.00 C ATOM 1231 C ALA A 83 10.315 2.991 4.996 1.00 0.00 C ATOM 1232 O ALA A 83 10.059 4.034 5.598 1.00 0.00 O ATOM 1233 CB ALA A 83 10.515 2.960 2.503 1.00 0.00 C ATOM 0 H ALA A 83 8.458 4.382 3.415 1.00 0.00 H new ATOM 0 HA ALA A 83 9.386 1.585 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.451 2.410 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.020 2.661 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.724 4.029 2.473 1.00 0.00 H new ATOM 1239 N ARG A 84 11.203 2.103 5.431 1.00 0.00 N ATOM 1240 CA ARG A 84 11.943 2.308 6.670 1.00 0.00 C ATOM 1241 C ARG A 84 13.381 1.816 6.532 1.00 0.00 C ATOM 1242 O ARG A 84 13.659 0.882 5.780 1.00 0.00 O ATOM 1243 CB ARG A 84 11.254 1.582 7.827 1.00 0.00 C ATOM 1244 CG ARG A 84 11.539 0.089 7.866 1.00 0.00 C ATOM 1245 CD ARG A 84 10.669 -0.617 8.894 1.00 0.00 C ATOM 1246 NE ARG A 84 11.117 -0.361 10.260 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.267 -0.807 10.752 1.00 0.00 C ATOM 1248 NH1 ARG A 84 13.081 -1.528 9.994 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.605 -0.532 12.005 1.00 0.00 N ATOM 0 H ARG A 84 11.427 1.235 4.944 1.00 0.00 H new ATOM 0 HA ARG A 84 11.961 3.377 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.575 2.029 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.178 1.736 7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.362 -0.342 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.590 -0.076 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.636 -0.286 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.682 -1.690 8.704 1.00 0.00 H new ATOM 0 HE ARG A 84 10.513 0.191 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.825 -1.742 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.964 -1.869 10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.981 0.022 12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.489 -0.875 12.382 1.00 0.00 H new ATOM 1263 N SER A 85 14.291 2.452 7.263 1.00 0.00 N ATOM 1264 CA SER A 85 15.701 2.082 7.218 1.00 0.00 C ATOM 1265 C SER A 85 16.256 1.886 8.626 1.00 0.00 C ATOM 1266 O SER A 85 15.524 1.979 9.611 1.00 0.00 O ATOM 1267 CB SER A 85 16.509 3.155 6.485 1.00 0.00 C ATOM 1268 OG SER A 85 16.378 4.415 7.121 1.00 0.00 O ATOM 0 H SER A 85 14.077 3.225 7.893 1.00 0.00 H new ATOM 0 HA SER A 85 15.787 1.140 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.560 2.867 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.169 3.228 5.452 1.00 0.00 H new ATOM 0 HG SER A 85 16.905 5.083 6.635 1.00 0.00 H new ATOM 1274 N GLU A 86 17.554 1.613 8.711 1.00 0.00 N ATOM 1275 CA GLU A 86 18.207 1.402 9.998 1.00 0.00 C ATOM 1276 C GLU A 86 17.762 2.452 11.012 1.00 0.00 C ATOM 1277 O GLU A 86 17.609 2.159 12.198 1.00 0.00 O ATOM 1278 CB GLU A 86 19.728 1.445 9.836 1.00 0.00 C ATOM 1279 CG GLU A 86 20.317 0.162 9.275 1.00 0.00 C ATOM 1280 CD GLU A 86 20.301 -0.975 10.277 1.00 0.00 C ATOM 1281 OE1 GLU A 86 20.841 -0.794 11.389 1.00 0.00 O ATOM 1282 OE2 GLU A 86 19.748 -2.046 9.950 1.00 0.00 O ATOM 0 H GLU A 86 18.174 1.533 7.905 1.00 0.00 H new ATOM 0 HA GLU A 86 17.916 0.419 10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.992 2.274 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.182 1.650 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.757 -0.133 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.343 0.347 8.957 1.00 0.00 H new ATOM 1289 N ALA A 87 17.558 3.676 10.537 1.00 0.00 N ATOM 1290 CA ALA A 87 17.129 4.769 11.401 1.00 0.00 C ATOM 1291 C ALA A 87 15.749 4.496 11.989 1.00 0.00 C ATOM 1292 O ALA A 87 15.604 4.314 13.197 1.00 0.00 O ATOM 1293 CB ALA A 87 17.126 6.081 10.629 1.00 0.00 C ATOM 0 H ALA A 87 17.683 3.936 9.559 1.00 0.00 H new ATOM 0 HA ALA A 87 17.837 4.846 12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.804 6.889 11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.131 6.290 10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.441 6.005 9.785 1.00 0.00 H new ATOM 1299 N GLY A 88 14.738 4.469 11.126 1.00 0.00 N ATOM 1300 CA GLY A 88 13.382 4.217 11.580 1.00 0.00 C ATOM 1301 C GLY A 88 12.376 4.248 10.447 1.00 0.00 C ATOM 1302 O GLY A 88 12.750 4.195 9.275 1.00 0.00 O ATOM 0 H GLY A 88 14.833 4.617 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.341 3.245 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.107 4.963 12.326 1.00 0.00 H new ATOM 1306 N TYR A 89 11.097 4.332 10.795 1.00 0.00 N ATOM 1307 CA TYR A 89 10.034 4.365 9.798 1.00 0.00 C ATOM 1308 C TYR A 89 9.977 5.724 9.108 1.00 0.00 C ATOM 1309 O TYR A 89 10.084 6.766 9.754 1.00 0.00 O ATOM 1310 CB TYR A 89 8.685 4.054 10.450 1.00 0.00 C ATOM 1311 CG TYR A 89 8.371 2.576 10.514 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.802 1.919 9.431 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.644 1.838 11.660 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.512 0.569 9.486 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.359 0.487 11.723 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.793 -0.142 10.634 1.00 0.00 C ATOM 1317 OH TYR A 89 7.507 -1.487 10.693 1.00 0.00 O ATOM 0 H TYR A 89 10.771 4.378 11.760 1.00 0.00 H new ATOM 0 HA TYR A 89 10.251 3.605 9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.676 4.463 11.460 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.896 4.561 9.894 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.582 2.473 8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.086 2.328 12.515 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.068 0.074 8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.578 -0.073 12.620 1.00 0.00 H new ATOM 0 HH TYR A 89 7.767 -1.839 11.570 1.00 0.00 H new ATOM 1327 N GLY A 90 9.806 5.705 7.790 1.00 0.00 N ATOM 1328 CA GLY A 90 9.736 6.941 7.032 1.00 0.00 C ATOM 1329 C GLY A 90 8.313 7.427 6.845 1.00 0.00 C ATOM 1330 O GLY A 90 7.349 6.706 7.105 1.00 0.00 O ATOM 0 H GLY A 90 9.715 4.855 7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.315 7.710 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.197 6.791 6.056 1.00 0.00 H new ATOM 1334 N PRO A 91 8.166 8.679 6.386 1.00 0.00 N ATOM 1335 CA PRO A 91 6.853 9.289 6.156 1.00 0.00 C ATOM 1336 C PRO A 91 6.123 8.664 4.972 1.00 0.00 C ATOM 1337 O PRO A 91 6.718 8.419 3.923 1.00 0.00 O ATOM 1338 CB PRO A 91 7.189 10.754 5.865 1.00 0.00 C ATOM 1339 CG PRO A 91 8.584 10.726 5.343 1.00 0.00 C ATOM 1340 CD PRO A 91 9.271 9.594 6.056 1.00 0.00 C ATOM 0 HA PRO A 91 6.185 9.152 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.501 11.180 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.115 11.364 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.594 10.571 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.091 11.672 5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.016 9.113 5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.789 9.938 6.951 1.00 0.00 H new ATOM 1348 N PHE A 92 4.831 8.410 5.147 1.00 0.00 N ATOM 1349 CA PHE A 92 4.019 7.813 4.092 1.00 0.00 C ATOM 1350 C PHE A 92 4.109 8.632 2.808 1.00 0.00 C ATOM 1351 O PHE A 92 4.093 9.862 2.841 1.00 0.00 O ATOM 1352 CB PHE A 92 2.561 7.705 4.541 1.00 0.00 C ATOM 1353 CG PHE A 92 2.254 6.435 5.282 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.194 5.224 4.613 1.00 0.00 C ATOM 1355 CD2 PHE A 92 2.025 6.453 6.649 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.912 4.053 5.292 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.743 5.286 7.333 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.685 4.085 6.654 1.00 0.00 C ATOM 0 H PHE A 92 4.323 8.608 6.009 1.00 0.00 H new ATOM 0 HA PHE A 92 4.405 6.813 3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.322 8.555 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.914 7.771 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.370 5.194 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.067 7.389 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.869 3.115 4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.568 5.313 8.398 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.463 3.172 7.187 1.00 0.00 H new ATOM 1368 N GLY A 93 4.204 7.940 1.677 1.00 0.00 N ATOM 1369 CA GLY A 93 4.295 8.619 0.397 1.00 0.00 C ATOM 1370 C GLY A 93 2.937 9.012 -0.149 1.00 0.00 C ATOM 1371 O GLY A 93 1.905 8.612 0.390 1.00 0.00 O ATOM 0 H GLY A 93 4.220 6.922 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.911 9.511 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.797 7.970 -0.320 1.00 0.00 H new ATOM 1375 N GLN A 94 2.937 9.799 -1.220 1.00 0.00 N ATOM 1376 CA GLN A 94 1.694 10.248 -1.837 1.00 0.00 C ATOM 1377 C GLN A 94 0.650 9.136 -1.830 1.00 0.00 C ATOM 1378 O GLN A 94 0.960 7.980 -2.116 1.00 0.00 O ATOM 1379 CB GLN A 94 1.952 10.713 -3.271 1.00 0.00 C ATOM 1380 CG GLN A 94 0.700 11.188 -3.991 1.00 0.00 C ATOM 1381 CD GLN A 94 1.012 11.965 -5.255 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.174 12.240 -5.557 1.00 0.00 O ATOM 1383 NE2 GLN A 94 -0.026 12.323 -6.002 1.00 0.00 N ATOM 0 H GLN A 94 3.783 10.139 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 94 1.310 11.085 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.682 11.523 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.397 9.893 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.081 10.327 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.115 11.815 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.972 12.074 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.123 12.847 -6.864 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.587 9.495 -1.502 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.676 8.526 -1.457 1.00 0.00 C ATOM 1394 C GLU A 95 -2.096 8.114 -2.865 1.00 0.00 C ATOM 1395 O GLU A 95 -2.087 8.927 -3.790 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.875 9.108 -0.705 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.409 10.394 -1.314 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.295 11.168 -0.357 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -5.222 10.558 0.217 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -4.063 12.382 -0.182 1.00 0.00 O ATOM 0 H GLU A 95 -0.860 10.448 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.320 7.641 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.674 8.367 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.588 9.298 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.572 11.023 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.974 10.158 -2.216 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.463 6.846 -3.019 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.887 6.325 -4.314 1.00 0.00 C ATOM 1409 C HIS A 96 -4.305 5.767 -4.238 1.00 0.00 C ATOM 1410 O HIS A 96 -4.659 5.073 -3.284 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.923 5.237 -4.790 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.101 4.868 -6.230 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -3.064 3.983 -6.667 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -1.433 5.270 -7.337 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.980 3.856 -7.979 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -1.998 4.627 -8.410 1.00 0.00 N ATOM 0 H HIS A 96 -2.475 6.160 -2.264 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.877 7.147 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.899 5.577 -4.634 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.060 4.347 -4.176 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.609 5.967 -7.370 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.607 3.229 -8.595 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.707 4.728 -9.382 1.00 0.00 H new ATOM 1425 N HIS A 97 -5.112 6.074 -5.248 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.492 5.603 -5.295 1.00 0.00 C ATOM 1427 C HIS A 97 -6.632 4.428 -6.258 1.00 0.00 C ATOM 1428 O HIS A 97 -6.681 4.613 -7.474 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.426 6.738 -5.716 1.00 0.00 C ATOM 1430 CG HIS A 97 -7.802 7.653 -4.592 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -7.110 8.809 -4.299 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -8.805 7.578 -3.687 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -7.670 9.405 -3.262 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -8.702 8.678 -2.871 1.00 0.00 N ATOM 0 H HIS A 97 -4.835 6.647 -6.045 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.770 5.266 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.945 7.320 -6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.333 6.311 -6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.549 6.798 -3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.341 10.329 -2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -9.321 8.898 -2.091 1.00 0.00 H new ATOM 1443 N SER A 98 -6.695 3.221 -5.706 1.00 0.00 N ATOM 1444 CA SER A 98 -6.825 2.016 -6.516 1.00 0.00 C ATOM 1445 C SER A 98 -8.160 1.999 -7.255 1.00 0.00 C ATOM 1446 O SER A 98 -9.209 2.268 -6.669 1.00 0.00 O ATOM 1447 CB SER A 98 -6.701 0.769 -5.638 1.00 0.00 C ATOM 1448 OG SER A 98 -7.633 0.802 -4.570 1.00 0.00 O ATOM 0 H SER A 98 -6.658 3.052 -4.701 1.00 0.00 H new ATOM 0 HA SER A 98 -6.021 2.015 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.867 -0.123 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.689 0.700 -5.239 1.00 0.00 H new ATOM 0 HG SER A 98 -8.123 -0.046 -4.537 1.00 0.00 H new