USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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 191 ASN : amide:sc= 0.63 K(o=1.4,f=-6.3!) USER MOD Set 1.2: A 198 THR OG1 : rot 125:sc= 0.733 USER MOD Single : A 179 MET CE :methyl 180:sc= -8.04! (180deg=-8.04!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 170:sc= -2.3! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 GLN : amide:sc= -0.157! C(o=-0.16!,f=-1.5!) USER MOD Single : A 188 TYR OH : rot 180:sc= -0.55 USER MOD Single : A 192 HIS : no HD1:sc= -0.362 K(o=-0.36,f=-5.2!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 196 THR OG1 : rot 170:sc= -0.162 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -6.6! C(o=-6.6!,f=-1.6!) USER MOD Single : A 204 LYS NZ :NH3+ 167:sc= -0.0112 (180deg=-0.147) USER MOD Single : B 206 SER OG : rot 180:sc= 0.0109 USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -152:sc= -3.47! (180deg=-5.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.409 7.398 5.412 1.00 15.00 N ATOM 2 CA ASP A 170 11.305 6.747 4.089 1.00 15.00 C ATOM 3 C ASP A 170 11.901 5.340 4.107 1.00 15.00 C ATOM 4 O ASP A 170 11.732 4.585 3.149 1.00 15.00 O ATOM 5 CB ASP A 170 12.014 7.590 3.026 1.00 15.00 C ATOM 6 CG ASP A 170 13.511 7.650 3.243 1.00 15.00 C ATOM 7 OD1 ASP A 170 13.939 8.002 4.363 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 14.266 7.346 2.298 1.00 15.00 O ATOM 0 HA ASP A 170 10.246 6.666 3.845 1.00 15.00 H new ATOM 0 HB2 ASP A 170 11.809 7.174 2.040 1.00 15.00 H new ATOM 0 HB3 ASP A 170 11.607 8.601 3.037 1.00 15.00 H new ATOM 15 N VAL A 171 12.603 4.982 5.181 1.00 15.00 N ATOM 16 CA VAL A 171 13.209 3.655 5.267 1.00 15.00 C ATOM 17 C VAL A 171 12.184 2.588 5.682 1.00 15.00 C ATOM 18 O VAL A 171 12.069 1.554 5.020 1.00 15.00 O ATOM 19 CB VAL A 171 14.408 3.634 6.244 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.047 2.254 6.294 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.437 4.679 5.848 1.00 15.00 C ATOM 0 H VAL A 171 12.764 5.581 5.991 1.00 15.00 H new ATOM 0 HA VAL A 171 13.573 3.418 4.267 1.00 15.00 H new ATOM 0 HB VAL A 171 14.035 3.872 7.240 1.00 15.00 H new ATOM 0 HG11 VAL A 171 15.887 2.267 6.988 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.310 1.524 6.629 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.402 1.981 5.300 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.273 4.649 6.547 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.798 4.471 4.841 1.00 15.00 H new ATOM 0 HG23 VAL A 171 14.979 5.668 5.872 1.00 15.00 H new ATOM 31 N PRO A 172 11.409 2.807 6.764 1.00 15.00 N ATOM 32 CA PRO A 172 10.317 1.903 7.115 1.00 15.00 C ATOM 33 C PRO A 172 9.082 2.131 6.247 1.00 15.00 C ATOM 34 O PRO A 172 8.341 1.195 5.955 1.00 15.00 O ATOM 35 CB PRO A 172 10.027 2.232 8.577 1.00 15.00 C ATOM 36 CG PRO A 172 10.450 3.650 8.743 1.00 15.00 C ATOM 37 CD PRO A 172 11.572 3.884 7.763 1.00 15.00 C ATOM 0 HA PRO A 172 10.584 0.858 6.957 1.00 15.00 H new ATOM 0 HB2 PRO A 172 8.969 2.106 8.808 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.580 1.574 9.247 1.00 15.00 H new ATOM 0 HG2 PRO A 172 9.618 4.327 8.549 1.00 15.00 H new ATOM 0 HG3 PRO A 172 10.782 3.838 9.764 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.500 4.869 7.302 1.00 15.00 H new ATOM 0 HD3 PRO A 172 12.545 3.831 8.251 1.00 15.00 H new ATOM 45 N LEU A 173 8.863 3.380 5.841 1.00 15.00 N ATOM 46 CA LEU A 173 7.725 3.722 4.999 1.00 15.00 C ATOM 47 C LEU A 173 8.145 4.703 3.898 1.00 15.00 C ATOM 48 O LEU A 173 8.411 5.873 4.184 1.00 15.00 O ATOM 49 CB LEU A 173 6.595 4.350 5.830 1.00 15.00 C ATOM 50 CG LEU A 173 6.053 3.510 6.994 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.002 4.301 7.756 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.458 2.197 6.504 1.00 15.00 C ATOM 0 H LEU A 173 9.461 4.170 6.083 1.00 15.00 H new ATOM 0 HA LEU A 173 7.362 2.800 4.545 1.00 15.00 H new ATOM 0 HB2 LEU A 173 6.953 5.298 6.231 1.00 15.00 H new ATOM 0 HB3 LEU A 173 5.766 4.580 5.160 1.00 15.00 H new ATOM 0 HG LEU A 173 6.886 3.275 7.656 1.00 15.00 H new ATOM 0 HD11 LEU A 173 4.621 3.699 8.581 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.448 5.215 8.149 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.182 4.557 7.085 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.084 1.627 7.355 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.638 2.403 5.816 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.226 1.619 5.990 1.00 15.00 H new ATOM 64 N PRO A 174 8.248 4.235 2.638 1.00 15.00 N ATOM 65 CA PRO A 174 8.568 5.103 1.498 1.00 15.00 C ATOM 66 C PRO A 174 7.598 6.283 1.375 1.00 15.00 C ATOM 67 O PRO A 174 6.416 6.166 1.698 1.00 15.00 O ATOM 68 CB PRO A 174 8.457 4.194 0.265 1.00 15.00 C ATOM 69 CG PRO A 174 8.152 2.812 0.746 1.00 15.00 C ATOM 70 CD PRO A 174 8.093 2.827 2.250 1.00 15.00 C ATOM 0 HA PRO A 174 9.557 5.546 1.612 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.672 4.549 -0.402 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.387 4.205 -0.303 1.00 15.00 H new ATOM 0 HG2 PRO A 174 7.203 2.469 0.334 1.00 15.00 H new ATOM 0 HG3 PRO A 174 8.918 2.115 0.405 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.146 2.424 2.609 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.885 2.213 2.679 1.00 15.00 H new ATOM 78 N ALA A 175 8.098 7.409 0.879 1.00 15.00 N ATOM 79 CA ALA A 175 7.294 8.620 0.762 1.00 15.00 C ATOM 80 C ALA A 175 6.588 8.669 -0.588 1.00 15.00 C ATOM 81 O ALA A 175 7.166 8.303 -1.612 1.00 15.00 O ATOM 82 CB ALA A 175 8.166 9.851 0.954 1.00 15.00 C ATOM 0 H ALA A 175 9.059 7.509 0.551 1.00 15.00 H new ATOM 0 HA ALA A 175 6.534 8.607 1.543 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.554 10.748 0.864 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.624 9.822 1.943 1.00 15.00 H new ATOM 0 HB3 ALA A 175 8.946 9.867 0.193 1.00 15.00 H new ATOM 88 N GLY A 176 5.340 9.128 -0.580 1.00 15.00 N ATOM 89 CA GLY A 176 4.520 9.087 -1.778 1.00 15.00 C ATOM 90 C GLY A 176 3.789 7.769 -1.883 1.00 15.00 C ATOM 91 O GLY A 176 3.231 7.425 -2.930 1.00 15.00 O ATOM 0 H GLY A 176 4.881 9.529 0.238 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.801 9.906 -1.760 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.147 9.232 -2.658 1.00 15.00 H new ATOM 95 N TRP A 177 3.772 7.048 -0.772 1.00 15.00 N ATOM 96 CA TRP A 177 3.160 5.735 -0.698 1.00 15.00 C ATOM 97 C TRP A 177 2.165 5.696 0.455 1.00 15.00 C ATOM 98 O TRP A 177 2.397 6.292 1.509 1.00 15.00 O ATOM 99 CB TRP A 177 4.234 4.658 -0.490 1.00 15.00 C ATOM 100 CG TRP A 177 5.165 4.467 -1.655 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.197 5.278 -2.028 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.168 3.371 -2.577 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.823 4.770 -3.141 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.213 3.597 -3.495 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.385 2.227 -2.719 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.490 2.716 -4.537 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.664 1.351 -3.749 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.711 1.601 -4.647 1.00 15.00 C ATOM 0 H TRP A 177 4.185 7.361 0.106 1.00 15.00 H new ATOM 0 HA TRP A 177 2.639 5.537 -1.634 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.823 4.917 0.390 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.742 3.709 -0.276 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.481 6.188 -1.521 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.613 5.197 -3.624 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.573 2.029 -2.035 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.293 2.908 -5.233 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.066 0.459 -3.865 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.905 0.897 -5.442 1.00 15.00 H new ATOM 119 N GLU A 178 1.058 5.001 0.255 1.00 15.00 N ATOM 120 CA GLU A 178 0.086 4.810 1.315 1.00 15.00 C ATOM 121 C GLU A 178 0.418 3.526 2.058 1.00 15.00 C ATOM 122 O GLU A 178 0.433 2.448 1.461 1.00 15.00 O ATOM 123 CB GLU A 178 -1.332 4.746 0.754 1.00 15.00 C ATOM 124 CG GLU A 178 -2.403 4.921 1.810 1.00 15.00 C ATOM 125 CD GLU A 178 -2.321 6.278 2.471 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.588 6.413 3.474 1.00 15.00 O ATOM 127 OE2 GLU A 178 -2.962 7.219 1.968 1.00 15.00 O1- ATOM 0 H GLU A 178 0.811 4.560 -0.631 1.00 15.00 H new ATOM 0 HA GLU A 178 0.132 5.657 1.999 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.450 5.519 -0.005 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.475 3.787 0.257 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.386 4.797 1.355 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.300 4.142 2.565 1.00 15.00 H new ATOM 134 N MET A 179 0.680 3.642 3.350 1.00 15.00 N ATOM 135 CA MET A 179 1.248 2.538 4.108 1.00 15.00 C ATOM 136 C MET A 179 0.252 1.973 5.108 1.00 15.00 C ATOM 137 O MET A 179 -0.089 2.637 6.088 1.00 15.00 O ATOM 138 CB MET A 179 2.496 3.004 4.867 1.00 15.00 C ATOM 139 CG MET A 179 3.394 3.944 4.079 1.00 15.00 C ATOM 140 SD MET A 179 3.980 3.230 2.533 1.00 15.00 S ATOM 141 CE MET A 179 5.021 1.916 3.147 1.00 15.00 C ATOM 0 H MET A 179 0.509 4.487 3.895 1.00 15.00 H new ATOM 0 HA MET A 179 1.510 1.757 3.394 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.184 3.503 5.784 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.075 2.129 5.162 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.849 4.863 3.864 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.251 4.218 4.694 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.460 1.377 2.307 1.00 15.00 H new ATOM 0 HE2 MET A 179 5.816 2.339 3.762 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.424 1.229 3.747 1.00 15.00 H new ATOM 151 N ALA A 180 -0.231 0.759 4.861 1.00 15.00 N ATOM 152 CA ALA A 180 -1.052 0.074 5.851 1.00 15.00 C ATOM 153 C ALA A 180 -0.897 -1.438 5.751 1.00 15.00 C ATOM 154 O ALA A 180 -0.847 -2.004 4.660 1.00 15.00 O ATOM 155 CB ALA A 180 -2.511 0.478 5.730 1.00 15.00 C ATOM 0 H ALA A 180 -0.071 0.237 3.999 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.699 0.380 6.836 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.098 -0.050 6.482 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.605 1.553 5.885 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.878 0.221 4.737 1.00 15.00 H new ATOM 161 N LYS A 181 -0.811 -2.081 6.905 1.00 15.00 N ATOM 162 CA LYS A 181 -0.648 -3.525 6.975 1.00 15.00 C ATOM 163 C LYS A 181 -1.769 -4.114 7.819 1.00 15.00 C ATOM 164 O LYS A 181 -1.928 -3.744 8.982 1.00 15.00 O ATOM 165 CB LYS A 181 0.711 -3.875 7.599 1.00 15.00 C ATOM 166 CG LYS A 181 1.888 -3.159 6.957 1.00 15.00 C ATOM 167 CD LYS A 181 3.169 -3.392 7.740 1.00 15.00 C ATOM 168 CE LYS A 181 4.307 -2.534 7.215 1.00 15.00 C ATOM 169 NZ LYS A 181 5.523 -2.664 8.056 1.00 15.00 N1+ ATOM 0 H LYS A 181 -0.852 -1.620 7.814 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.688 -3.941 5.968 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.685 -3.631 8.661 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.868 -4.951 7.523 1.00 15.00 H new ATOM 0 HG2 LYS A 181 2.016 -3.511 5.933 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.681 -2.090 6.904 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.999 -3.168 8.793 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.447 -4.444 7.679 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.540 -2.825 6.191 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.993 -1.490 7.187 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 6.279 -2.065 7.668 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 5.307 -2.363 9.028 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.836 -3.656 8.062 1.00 15.00 H new ATOM 183 N THR A 182 -2.550 -5.017 7.246 1.00 15.00 N ATOM 184 CA THR A 182 -3.655 -5.614 7.980 1.00 15.00 C ATOM 185 C THR A 182 -3.186 -6.872 8.703 1.00 15.00 C ATOM 186 O THR A 182 -2.347 -7.616 8.188 1.00 15.00 O ATOM 187 CB THR A 182 -4.844 -5.970 7.056 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.510 -7.068 6.204 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.247 -4.779 6.199 1.00 15.00 C ATOM 0 H THR A 182 -2.442 -5.349 6.288 1.00 15.00 H new ATOM 0 HA THR A 182 -3.998 -4.873 8.702 1.00 15.00 H new ATOM 0 HB THR A 182 -5.682 -6.248 7.695 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.316 -7.383 5.745 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.085 -5.058 5.560 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.542 -3.951 6.843 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.403 -4.474 5.580 1.00 15.00 H new ATOM 197 N SER A 183 -3.732 -7.102 9.896 1.00 15.00 N ATOM 198 CA SER A 183 -3.399 -8.283 10.692 1.00 15.00 C ATOM 199 C SER A 183 -3.798 -9.571 9.972 1.00 15.00 C ATOM 200 O SER A 183 -3.381 -10.663 10.353 1.00 15.00 O ATOM 201 CB SER A 183 -4.069 -8.199 12.063 1.00 15.00 C ATOM 202 OG SER A 183 -3.607 -7.063 12.771 1.00 15.00 O ATOM 0 H SER A 183 -4.412 -6.481 10.335 1.00 15.00 H new ATOM 0 HA SER A 183 -2.318 -8.306 10.830 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.151 -8.145 11.943 1.00 15.00 H new ATOM 0 HB3 SER A 183 -3.856 -9.103 12.634 1.00 15.00 H new ATOM 0 HG SER A 183 -4.046 -7.022 13.646 1.00 15.00 H new ATOM 208 N SER A 184 -4.627 -9.424 8.944 1.00 15.00 N ATOM 209 CA SER A 184 -5.002 -10.527 8.068 1.00 15.00 C ATOM 210 C SER A 184 -3.786 -11.027 7.284 1.00 15.00 C ATOM 211 O SER A 184 -3.810 -12.105 6.691 1.00 15.00 O ATOM 212 CB SER A 184 -6.111 -10.079 7.113 1.00 15.00 C ATOM 213 OG SER A 184 -7.163 -9.442 7.825 1.00 15.00 O ATOM 0 H SER A 184 -5.059 -8.534 8.695 1.00 15.00 H new ATOM 0 HA SER A 184 -5.375 -11.350 8.678 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.702 -9.395 6.370 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.502 -10.941 6.572 1.00 15.00 H new ATOM 0 HG SER A 184 -7.861 -9.162 7.196 1.00 15.00 H new ATOM 219 N GLY A 185 -2.725 -10.230 7.286 1.00 15.00 N ATOM 220 CA GLY A 185 -1.548 -10.547 6.510 1.00 15.00 C ATOM 221 C GLY A 185 -1.613 -9.957 5.120 1.00 15.00 C ATOM 222 O GLY A 185 -1.123 -10.545 4.156 1.00 15.00 O ATOM 0 H GLY A 185 -2.662 -9.362 7.818 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.663 -10.171 7.023 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.440 -11.629 6.440 1.00 15.00 H new ATOM 226 N GLN A 186 -2.217 -8.782 5.024 1.00 15.00 N ATOM 227 CA GLN A 186 -2.260 -8.047 3.770 1.00 15.00 C ATOM 228 C GLN A 186 -1.439 -6.775 3.893 1.00 15.00 C ATOM 229 O GLN A 186 -1.844 -5.820 4.562 1.00 15.00 O ATOM 230 CB GLN A 186 -3.698 -7.702 3.371 1.00 15.00 C ATOM 231 CG GLN A 186 -4.540 -8.907 2.991 1.00 15.00 C ATOM 232 CD GLN A 186 -6.019 -8.581 2.930 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.727 -8.674 3.929 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.499 -8.196 1.757 1.00 15.00 N ATOM 0 H GLN A 186 -2.685 -8.317 5.802 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.839 -8.683 2.991 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.179 -7.182 4.200 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.674 -7.009 2.530 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.213 -9.284 2.022 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.376 -9.705 3.715 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.880 -8.131 0.949 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.488 -7.965 1.662 1.00 15.00 H new ATOM 243 N ARG A 187 -0.268 -6.780 3.284 1.00 15.00 N ATOM 244 CA ARG A 187 0.586 -5.610 3.286 1.00 15.00 C ATOM 245 C ARG A 187 0.413 -4.850 1.975 1.00 15.00 C ATOM 246 O ARG A 187 0.983 -5.215 0.951 1.00 15.00 O ATOM 247 CB ARG A 187 2.057 -6.006 3.517 1.00 15.00 C ATOM 248 CG ARG A 187 2.614 -6.983 2.488 1.00 15.00 C ATOM 249 CD ARG A 187 3.957 -7.558 2.911 1.00 15.00 C ATOM 250 NE ARG A 187 4.968 -6.531 3.170 1.00 15.00 N ATOM 251 CZ ARG A 187 5.907 -6.645 4.113 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.937 -7.721 4.894 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.815 -5.691 4.274 1.00 15.00 N ATOM 0 H ARG A 187 0.112 -7.582 2.782 1.00 15.00 H new ATOM 0 HA ARG A 187 0.295 -4.955 4.108 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.669 -5.104 3.512 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.150 -6.449 4.509 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.903 -7.796 2.339 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.723 -6.476 1.530 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.821 -8.159 3.810 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.320 -8.228 2.131 1.00 15.00 H new ATOM 0 HE ARG A 187 4.954 -5.685 2.601 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.243 -8.459 4.773 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.654 -7.809 5.614 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.798 -4.865 3.676 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.530 -5.784 4.996 1.00 15.00 H new ATOM 267 N TYR A 188 -0.428 -3.827 1.984 1.00 15.00 N ATOM 268 CA TYR A 188 -0.675 -3.079 0.770 1.00 15.00 C ATOM 269 C TYR A 188 -0.026 -1.714 0.841 1.00 15.00 C ATOM 270 O TYR A 188 -0.032 -1.042 1.881 1.00 15.00 O ATOM 271 CB TYR A 188 -2.177 -2.970 0.461 1.00 15.00 C ATOM 272 CG TYR A 188 -3.015 -2.263 1.506 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.906 -0.894 1.716 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.935 -2.970 2.266 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.678 -0.253 2.661 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.716 -2.332 3.216 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.581 -0.977 3.410 1.00 15.00 C ATOM 278 OH TYR A 188 -5.360 -0.342 4.351 1.00 15.00 O ATOM 0 H TYR A 188 -0.941 -3.503 2.804 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.221 -3.628 -0.055 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.297 -2.447 -0.488 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.574 -3.976 0.323 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.204 -0.322 1.128 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.044 -4.034 2.115 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.576 0.811 2.814 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.427 -2.896 3.801 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.943 -0.997 4.789 1.00 15.00 H new ATOM 288 N PHE A 189 0.546 -1.323 -0.273 1.00 15.00 N ATOM 289 CA PHE A 189 1.176 -0.035 -0.392 1.00 15.00 C ATOM 290 C PHE A 189 0.647 0.665 -1.632 1.00 15.00 C ATOM 291 O PHE A 189 0.732 0.140 -2.741 1.00 15.00 O ATOM 292 CB PHE A 189 2.695 -0.198 -0.458 1.00 15.00 C ATOM 293 CG PHE A 189 3.257 -1.012 0.673 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.264 -0.515 1.961 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.775 -2.275 0.445 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.777 -1.256 3.006 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.289 -3.023 1.484 1.00 15.00 C ATOM 298 CZ PHE A 189 4.291 -2.512 2.768 1.00 15.00 C ATOM 0 H PHE A 189 0.586 -1.890 -1.120 1.00 15.00 H new ATOM 0 HA PHE A 189 0.943 0.574 0.482 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.962 -0.670 -1.403 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.159 0.788 -0.452 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.862 0.469 2.154 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.777 -2.679 -0.557 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.776 -0.852 4.008 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.690 -4.008 1.294 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.694 -3.095 3.582 1.00 15.00 H new ATOM 308 N LEU A 190 0.081 1.836 -1.440 1.00 15.00 N ATOM 309 CA LEU A 190 -0.472 2.599 -2.547 1.00 15.00 C ATOM 310 C LEU A 190 0.581 3.510 -3.142 1.00 15.00 C ATOM 311 O LEU A 190 1.303 4.171 -2.406 1.00 15.00 O ATOM 312 CB LEU A 190 -1.604 3.506 -2.080 1.00 15.00 C ATOM 313 CG LEU A 190 -3.023 2.958 -2.096 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.942 4.032 -2.656 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.134 1.668 -2.897 1.00 15.00 C ATOM 0 H LEU A 190 -0.010 2.284 -0.528 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.832 1.873 -3.276 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.380 3.818 -1.060 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.587 4.403 -2.699 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.317 2.705 -1.077 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.966 3.660 -2.677 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.891 4.920 -2.025 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.628 4.288 -3.668 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.165 1.316 -2.879 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.832 1.853 -3.928 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.484 0.910 -2.459 1.00 15.00 H new ATOM 327 N ASN A 191 0.649 3.593 -4.456 1.00 15.00 N ATOM 328 CA ASN A 191 1.429 4.640 -5.065 1.00 15.00 C ATOM 329 C ASN A 191 0.523 5.834 -5.265 1.00 15.00 C ATOM 330 O ASN A 191 -0.270 5.854 -6.206 1.00 15.00 O ATOM 331 CB ASN A 191 2.019 4.233 -6.417 1.00 15.00 C ATOM 332 CG ASN A 191 2.877 2.987 -6.371 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.552 2.007 -5.699 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.992 3.020 -7.085 1.00 15.00 N ATOM 0 H ASN A 191 0.183 2.961 -5.107 1.00 15.00 H new ATOM 0 HA ASN A 191 2.268 4.866 -4.406 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.204 4.073 -7.123 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.617 5.058 -6.803 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.617 2.214 -7.092 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.225 3.851 -7.628 1.00 15.00 H new ATOM 341 N HIS A 192 0.606 6.807 -4.355 1.00 15.00 N ATOM 342 CA HIS A 192 -0.236 8.002 -4.433 1.00 15.00 C ATOM 343 C HIS A 192 0.196 8.881 -5.603 1.00 15.00 C ATOM 344 O HIS A 192 -0.416 9.910 -5.887 1.00 15.00 O ATOM 345 CB HIS A 192 -0.184 8.815 -3.132 1.00 15.00 C ATOM 346 CG HIS A 192 -1.322 8.547 -2.184 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.554 9.164 -2.280 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.398 7.743 -1.100 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.331 8.751 -1.298 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.658 7.889 -0.563 1.00 15.00 N ATOM 0 H HIS A 192 1.244 6.791 -3.560 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.262 7.669 -4.587 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.755 8.601 -2.622 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.177 9.876 -3.381 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.614 7.103 -0.724 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.349 9.067 -1.125 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.011 7.410 0.265 1.00 15.00 H new ATOM 359 N ILE A 193 1.271 8.479 -6.262 1.00 15.00 N ATOM 360 CA ILE A 193 1.773 9.187 -7.426 1.00 15.00 C ATOM 361 C ILE A 193 1.440 8.414 -8.705 1.00 15.00 C ATOM 362 O ILE A 193 1.001 8.995 -9.697 1.00 15.00 O ATOM 363 CB ILE A 193 3.303 9.392 -7.334 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.676 10.076 -6.011 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.803 10.213 -8.516 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.170 10.219 -5.795 1.00 15.00 C ATOM 0 H ILE A 193 1.817 7.657 -6.006 1.00 15.00 H new ATOM 0 HA ILE A 193 1.289 10.163 -7.455 1.00 15.00 H new ATOM 0 HB ILE A 193 3.783 8.414 -7.364 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.218 11.065 -5.982 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.252 9.504 -5.185 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.882 10.348 -8.435 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.571 9.692 -9.445 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.315 11.187 -8.515 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.354 10.711 -4.840 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.633 9.232 -5.790 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.598 10.817 -6.600 1.00 15.00 H new ATOM 378 N ASP A 194 1.636 7.099 -8.664 1.00 15.00 N ATOM 379 CA ASP A 194 1.425 6.249 -9.835 1.00 15.00 C ATOM 380 C ASP A 194 -0.039 5.846 -9.975 1.00 15.00 C ATOM 381 O ASP A 194 -0.443 5.334 -11.020 1.00 15.00 O ATOM 382 CB ASP A 194 2.290 4.987 -9.759 1.00 15.00 C ATOM 383 CG ASP A 194 3.766 5.286 -9.582 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.193 5.513 -8.429 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.506 5.287 -10.587 1.00 15.00 O ATOM 0 H ASP A 194 1.941 6.596 -7.831 1.00 15.00 H new ATOM 0 HA ASP A 194 1.714 6.833 -10.709 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.949 4.369 -8.928 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.150 4.403 -10.669 1.00 15.00 H new ATOM 390 N GLN A 195 -0.814 6.040 -8.903 1.00 15.00 N ATOM 391 CA GLN A 195 -2.237 5.686 -8.888 1.00 15.00 C ATOM 392 C GLN A 195 -2.392 4.168 -8.979 1.00 15.00 C ATOM 393 O GLN A 195 -3.290 3.649 -9.644 1.00 15.00 O ATOM 394 CB GLN A 195 -2.973 6.392 -10.045 1.00 15.00 C ATOM 395 CG GLN A 195 -4.485 6.237 -10.008 1.00 15.00 C ATOM 396 CD GLN A 195 -5.186 6.902 -11.175 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.638 7.011 -12.268 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.414 7.343 -10.948 1.00 15.00 N ATOM 0 H GLN A 195 -0.477 6.443 -8.029 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.684 6.021 -7.952 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.727 7.454 -10.023 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.602 5.998 -10.991 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.734 5.176 -10.001 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.864 6.660 -9.077 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.833 7.233 -10.025 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.941 7.793 -11.697 1.00 15.00 H new ATOM 407 N THR A 196 -1.535 3.454 -8.265 1.00 15.00 N ATOM 408 CA THR A 196 -1.549 1.998 -8.325 1.00 15.00 C ATOM 409 C THR A 196 -1.652 1.373 -6.938 1.00 15.00 C ATOM 410 O THR A 196 -1.170 1.937 -5.951 1.00 15.00 O ATOM 411 CB THR A 196 -0.288 1.453 -9.023 1.00 15.00 C ATOM 412 OG1 THR A 196 0.884 1.965 -8.385 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.261 1.828 -10.494 1.00 15.00 C ATOM 0 H THR A 196 -0.829 3.851 -7.645 1.00 15.00 H new ATOM 0 HA THR A 196 -2.432 1.725 -8.903 1.00 15.00 H new ATOM 0 HB THR A 196 -0.310 0.366 -8.944 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.674 1.494 -8.725 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.642 1.428 -10.955 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.137 1.413 -10.992 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.268 2.913 -10.593 1.00 15.00 H new ATOM 421 N THR A 197 -2.283 0.208 -6.877 1.00 15.00 N ATOM 422 CA THR A 197 -2.388 -0.553 -5.644 1.00 15.00 C ATOM 423 C THR A 197 -1.364 -1.688 -5.637 1.00 15.00 C ATOM 424 O THR A 197 -1.481 -2.652 -6.395 1.00 15.00 O ATOM 425 CB THR A 197 -3.806 -1.129 -5.469 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.781 -0.108 -5.737 1.00 15.00 O ATOM 427 CG2 THR A 197 -4.003 -1.654 -4.054 1.00 15.00 C ATOM 0 H THR A 197 -2.734 -0.233 -7.679 1.00 15.00 H new ATOM 0 HA THR A 197 -2.185 0.122 -4.812 1.00 15.00 H new ATOM 0 HB THR A 197 -3.931 -1.953 -6.171 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.681 -0.478 -5.626 1.00 15.00 H new ATOM 0 HG21 THR A 197 -5.011 -2.056 -3.952 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.276 -2.441 -3.854 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.863 -0.841 -3.342 1.00 15.00 H new ATOM 435 N THR A 198 -0.357 -1.559 -4.789 1.00 15.00 N ATOM 436 CA THR A 198 0.751 -2.497 -4.757 1.00 15.00 C ATOM 437 C THR A 198 0.597 -3.506 -3.603 1.00 15.00 C ATOM 438 O THR A 198 0.514 -3.110 -2.440 1.00 15.00 O ATOM 439 CB THR A 198 2.074 -1.716 -4.604 1.00 15.00 C ATOM 440 OG1 THR A 198 2.196 -0.764 -5.671 1.00 15.00 O ATOM 441 CG2 THR A 198 3.284 -2.634 -4.604 1.00 15.00 C ATOM 0 H THR A 198 -0.285 -0.804 -4.107 1.00 15.00 H new ATOM 0 HA THR A 198 0.758 -3.059 -5.691 1.00 15.00 H new ATOM 0 HB THR A 198 2.046 -1.205 -3.641 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.326 0.132 -5.296 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.191 -2.040 -4.494 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.208 -3.337 -3.774 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.323 -3.185 -5.544 1.00 15.00 H new ATOM 449 N TRP A 199 0.535 -4.805 -3.928 1.00 15.00 N ATOM 450 CA TRP A 199 0.470 -5.858 -2.907 1.00 15.00 C ATOM 451 C TRP A 199 1.861 -6.178 -2.349 1.00 15.00 C ATOM 452 O TRP A 199 1.996 -6.861 -1.335 1.00 15.00 O ATOM 453 CB TRP A 199 -0.094 -7.160 -3.487 1.00 15.00 C ATOM 454 CG TRP A 199 -1.579 -7.367 -3.381 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.383 -7.859 -4.368 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.442 -7.111 -2.261 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.664 -7.998 -3.917 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.729 -7.542 -2.637 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.268 -6.584 -0.975 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.812 -7.473 -1.786 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.376 -6.490 -0.144 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.630 -6.951 -0.567 1.00 15.00 C ATOM 0 H TRP A 199 0.529 -5.150 -4.888 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.179 -5.479 -2.118 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.180 -7.208 -4.541 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.401 -7.995 -2.990 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -2.052 -8.104 -5.366 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.444 -8.381 -4.452 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.295 -6.259 -0.638 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.783 -7.831 -2.095 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.270 -6.057 0.840 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.471 -6.883 0.108 1.00 15.00 H new ATOM 473 N GLN A 200 2.895 -5.723 -3.039 1.00 15.00 N ATOM 474 CA GLN A 200 4.261 -6.094 -2.699 1.00 15.00 C ATOM 475 C GLN A 200 4.991 -4.946 -2.019 1.00 15.00 C ATOM 476 O GLN A 200 4.717 -3.784 -2.291 1.00 15.00 O ATOM 477 CB GLN A 200 5.023 -6.519 -3.957 1.00 15.00 C ATOM 478 CG GLN A 200 4.437 -7.730 -4.681 1.00 15.00 C ATOM 479 CD GLN A 200 4.562 -9.039 -3.909 1.00 15.00 C ATOM 480 OE1 GLN A 200 4.749 -10.098 -4.506 1.00 15.00 O ATOM 481 NE2 GLN A 200 4.416 -8.993 -2.594 1.00 15.00 N ATOM 0 H GLN A 200 2.815 -5.095 -3.839 1.00 15.00 H new ATOM 0 HA GLN A 200 4.216 -6.932 -2.003 1.00 15.00 H new ATOM 0 HB2 GLN A 200 5.051 -5.678 -4.649 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.054 -6.741 -3.683 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.383 -7.542 -4.887 1.00 15.00 H new ATOM 0 HG3 GLN A 200 4.935 -7.840 -5.644 1.00 15.00 H new ATOM 0 HE21 GLN A 200 4.262 -8.098 -2.129 1.00 15.00 H new ATOM 0 HE22 GLN A 200 4.457 -9.852 -2.046 1.00 15.00 H new ATOM 490 N ASP A 201 5.930 -5.279 -1.147 1.00 15.00 N ATOM 491 CA ASP A 201 6.730 -4.268 -0.469 1.00 15.00 C ATOM 492 C ASP A 201 7.833 -3.766 -1.401 1.00 15.00 C ATOM 493 O ASP A 201 8.744 -4.520 -1.749 1.00 15.00 O ATOM 494 CB ASP A 201 7.347 -4.843 0.810 1.00 15.00 C ATOM 495 CG ASP A 201 7.956 -3.774 1.699 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.977 -3.175 1.308 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.424 -3.543 2.807 1.00 15.00 O1- ATOM 0 H ASP A 201 6.157 -6.240 -0.892 1.00 15.00 H new ATOM 0 HA ASP A 201 6.083 -3.434 -0.199 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.581 -5.381 1.368 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.115 -5.569 0.543 1.00 15.00 H new ATOM 502 N PRO A 202 7.740 -2.499 -1.846 1.00 15.00 N ATOM 503 CA PRO A 202 8.721 -1.882 -2.756 1.00 15.00 C ATOM 504 C PRO A 202 10.169 -1.929 -2.251 1.00 15.00 C ATOM 505 O PRO A 202 11.100 -1.683 -3.016 1.00 15.00 O ATOM 506 CB PRO A 202 8.255 -0.422 -2.883 1.00 15.00 C ATOM 507 CG PRO A 202 7.216 -0.224 -1.827 1.00 15.00 C ATOM 508 CD PRO A 202 6.634 -1.578 -1.543 1.00 15.00 C ATOM 0 HA PRO A 202 8.748 -2.428 -3.699 1.00 15.00 H new ATOM 0 HB2 PRO A 202 9.088 0.266 -2.743 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.845 -0.229 -3.874 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.655 0.206 -0.927 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.444 0.467 -2.167 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.311 -1.666 -0.506 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.763 -1.779 -2.166 1.00 15.00 H new ATOM 516 N ARG A 203 10.359 -2.220 -0.972 1.00 15.00 N ATOM 517 CA ARG A 203 11.699 -2.245 -0.391 1.00 15.00 C ATOM 518 C ARG A 203 12.256 -3.664 -0.374 1.00 15.00 C ATOM 519 O ARG A 203 13.452 -3.872 -0.160 1.00 15.00 O ATOM 520 CB ARG A 203 11.672 -1.698 1.030 1.00 15.00 C ATOM 521 CG ARG A 203 11.008 -0.339 1.152 1.00 15.00 C ATOM 522 CD ARG A 203 10.645 -0.049 2.593 1.00 15.00 C ATOM 523 NE ARG A 203 9.755 -1.076 3.133 1.00 15.00 N ATOM 524 CZ ARG A 203 9.713 -1.429 4.416 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.524 -0.850 5.295 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.867 -2.373 4.814 1.00 15.00 N ATOM 0 H ARG A 203 9.609 -2.441 -0.318 1.00 15.00 H new ATOM 0 HA ARG A 203 12.343 -1.619 -1.008 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.148 -2.406 1.672 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.694 -1.627 1.401 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.679 0.434 0.778 1.00 15.00 H new ATOM 0 HG3 ARG A 203 10.111 -0.310 0.533 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.552 0.003 3.195 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.162 0.926 2.660 1.00 15.00 H new ATOM 0 HE ARG A 203 9.127 -1.552 2.486 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.181 -0.133 4.987 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.489 -1.123 6.277 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.252 -2.825 4.137 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.832 -2.646 5.796 1.00 15.00 H new ATOM 540 N LYS A 204 11.376 -4.638 -0.576 1.00 15.00 N ATOM 541 CA LYS A 204 11.759 -6.043 -0.523 1.00 15.00 C ATOM 542 C LYS A 204 12.502 -6.454 -1.796 1.00 15.00 C ATOM 543 O LYS A 204 13.171 -7.490 -1.833 1.00 15.00 O ATOM 544 CB LYS A 204 10.513 -6.921 -0.328 1.00 15.00 C ATOM 545 CG LYS A 204 10.810 -8.407 -0.179 1.00 15.00 C ATOM 546 CD LYS A 204 11.548 -8.705 1.114 1.00 15.00 C ATOM 547 CE LYS A 204 11.949 -10.168 1.202 1.00 15.00 C ATOM 548 NZ LYS A 204 12.995 -10.519 0.205 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.389 -4.479 -0.779 1.00 15.00 H new ATOM 0 HA LYS A 204 12.431 -6.185 0.324 1.00 15.00 H new ATOM 0 HB2 LYS A 204 9.977 -6.579 0.557 1.00 15.00 H new ATOM 0 HB3 LYS A 204 9.846 -6.779 -1.179 1.00 15.00 H new ATOM 0 HG2 LYS A 204 9.876 -8.969 -0.203 1.00 15.00 H new ATOM 0 HG3 LYS A 204 11.408 -8.745 -1.025 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.437 -8.078 1.179 1.00 15.00 H new ATOM 0 HD3 LYS A 204 10.914 -8.449 1.963 1.00 15.00 H new ATOM 0 HE2 LYS A 204 12.317 -10.383 2.205 1.00 15.00 H new ATOM 0 HE3 LYS A 204 11.072 -10.795 1.043 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 13.397 -11.450 0.436 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 12.573 -10.551 -0.745 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 13.748 -9.802 0.225 1.00 15.00 H new ATOM 562 N ALA A 205 12.377 -5.644 -2.836 1.00 15.00 N ATOM 563 CA ALA A 205 12.991 -5.951 -4.114 1.00 15.00 C ATOM 564 C ALA A 205 14.180 -5.033 -4.381 1.00 15.00 C ATOM 565 O ALA A 205 15.223 -5.203 -3.713 1.00 15.00 O ATOM 566 CB ALA A 205 11.961 -5.841 -5.229 1.00 15.00 C ATOM 567 OXT ALA A 205 14.078 -4.164 -5.269 1.00 15.00 O ATOM 0 H ALA A 205 11.855 -4.768 -2.818 1.00 15.00 H new ATOM 0 HA ALA A 205 13.362 -6.975 -4.083 1.00 15.00 H new ATOM 0 HB1 ALA A 205 12.432 -6.073 -6.184 1.00 15.00 H new ATOM 0 HB2 ALA A 205 11.149 -6.544 -5.045 1.00 15.00 H new ATOM 0 HB3 ALA A 205 11.563 -4.827 -5.258 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.221 -15.282 -3.488 1.00 15.00 N ATOM 575 CA GLY B 204 -3.610 -15.620 -3.094 1.00 15.00 C ATOM 576 C GLY B 204 -4.253 -14.510 -2.298 1.00 15.00 C ATOM 577 O GLY B 204 -4.701 -14.722 -1.171 1.00 15.00 O ATOM 0 HA2 GLY B 204 -4.203 -15.818 -3.987 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -3.608 -16.536 -2.504 1.00 15.00 H new ATOM 583 N GLU B 205 -4.299 -13.321 -2.878 1.00 15.00 N ATOM 584 CA GLU B 205 -4.796 -12.158 -2.165 1.00 15.00 C ATOM 585 C GLU B 205 -6.248 -11.882 -2.535 1.00 15.00 C ATOM 586 O GLU B 205 -6.673 -12.133 -3.665 1.00 15.00 O ATOM 587 CB GLU B 205 -3.952 -10.914 -2.481 1.00 15.00 C ATOM 588 CG GLU B 205 -2.438 -11.113 -2.414 1.00 15.00 C ATOM 589 CD GLU B 205 -1.996 -12.035 -1.294 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.089 -11.642 -0.113 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.555 -13.166 -1.600 1.00 15.00 O ATOM 0 H GLU B 205 -4.000 -13.138 -3.836 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.726 -12.374 -1.099 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.211 -10.564 -3.480 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.228 -10.122 -1.785 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.091 -11.517 -3.365 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.958 -10.143 -2.286 1.00 15.00 H new ATOM 598 N SER B 206 -6.999 -11.363 -1.580 1.00 15.00 N ATOM 599 CA SER B 206 -8.346 -10.879 -1.836 1.00 15.00 C ATOM 600 C SER B 206 -8.262 -9.407 -2.223 1.00 15.00 C ATOM 601 O SER B 206 -7.378 -8.711 -1.728 1.00 15.00 O ATOM 602 CB SER B 206 -9.200 -11.063 -0.578 1.00 15.00 C ATOM 603 OG SER B 206 -8.562 -10.485 0.549 1.00 15.00 O ATOM 0 H SER B 206 -6.696 -11.265 -0.611 1.00 15.00 H new ATOM 0 HA SER B 206 -8.809 -11.439 -2.648 1.00 15.00 H new ATOM 0 HB2 SER B 206 -10.177 -10.603 -0.725 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.371 -12.125 -0.401 1.00 15.00 H new ATOM 0 HG SER B 206 -9.123 -10.611 1.343 1.00 15.00 H new ATOM 609 N PRO B 207 -9.194 -8.902 -3.063 1.00 15.00 N ATOM 610 CA PRO B 207 -9.105 -7.544 -3.635 1.00 15.00 C ATOM 611 C PRO B 207 -8.804 -6.485 -2.577 1.00 15.00 C ATOM 612 O PRO B 207 -9.416 -6.471 -1.506 1.00 15.00 O ATOM 613 CB PRO B 207 -10.497 -7.327 -4.229 1.00 15.00 C ATOM 614 CG PRO B 207 -10.976 -8.696 -4.568 1.00 15.00 C ATOM 615 CD PRO B 207 -10.408 -9.610 -3.516 1.00 15.00 C ATOM 0 HA PRO B 207 -8.295 -7.456 -4.359 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.161 -6.840 -3.515 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.456 -6.691 -5.113 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.065 -8.737 -4.573 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.641 -8.991 -5.562 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.111 -9.766 -2.698 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.171 -10.593 -3.924 1.00 15.00 H new ATOM 623 N PRO B 208 -7.873 -5.562 -2.875 1.00 15.00 N ATOM 624 CA PRO B 208 -7.276 -4.643 -1.922 1.00 15.00 C ATOM 625 C PRO B 208 -8.022 -3.302 -1.909 1.00 15.00 C ATOM 626 O PRO B 208 -9.021 -3.137 -2.613 1.00 15.00 O ATOM 627 CB PRO B 208 -5.839 -4.487 -2.502 1.00 15.00 C ATOM 628 CG PRO B 208 -5.874 -5.225 -3.811 1.00 15.00 C ATOM 629 CD PRO B 208 -7.314 -5.224 -4.168 1.00 15.00 C ATOM 0 HA PRO B 208 -7.302 -4.989 -0.889 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.582 -3.438 -2.646 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.092 -4.909 -1.829 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.272 -4.726 -4.570 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.485 -6.239 -3.711 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.656 -4.256 -4.533 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.557 -5.958 -4.936 1.00 15.00 H new ATOM 637 N PRO B 209 -7.574 -2.354 -1.077 1.00 15.00 N ATOM 638 CA PRO B 209 -8.151 -1.008 -1.010 1.00 15.00 C ATOM 639 C PRO B 209 -8.327 -0.332 -2.365 1.00 15.00 C ATOM 640 O PRO B 209 -7.481 -0.458 -3.256 1.00 15.00 O ATOM 641 CB PRO B 209 -7.108 -0.211 -0.247 1.00 15.00 C ATOM 642 CG PRO B 209 -6.303 -1.189 0.526 1.00 15.00 C ATOM 643 CD PRO B 209 -6.502 -2.545 -0.090 1.00 15.00 C ATOM 0 HA PRO B 209 -9.145 -1.060 -0.565 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.476 0.354 -0.932 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.583 0.510 0.418 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.249 -0.913 0.508 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.613 -1.196 1.571 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.588 -2.903 -0.563 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.782 -3.284 0.661 1.00 15.00 H new ATOM 651 N PRO B 210 -9.420 0.425 -2.519 1.00 15.00 N ATOM 652 CA PRO B 210 -9.594 1.324 -3.654 1.00 15.00 C ATOM 653 C PRO B 210 -8.628 2.504 -3.561 1.00 15.00 C ATOM 654 O PRO B 210 -8.464 3.096 -2.495 1.00 15.00 O ATOM 655 CB PRO B 210 -11.042 1.797 -3.525 1.00 15.00 C ATOM 656 CG PRO B 210 -11.372 1.637 -2.080 1.00 15.00 C ATOM 657 CD PRO B 210 -10.573 0.458 -1.599 1.00 15.00 C ATOM 0 HA PRO B 210 -9.391 0.842 -4.610 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.148 2.835 -3.842 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.709 1.203 -4.150 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.116 2.536 -1.520 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.440 1.468 -1.940 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.257 0.583 -0.563 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.151 -0.465 -1.647 1.00 15.00 H new ATOM 665 N TYR B 211 -8.016 2.851 -4.683 1.00 15.00 N ATOM 666 CA TYR B 211 -6.994 3.896 -4.730 1.00 15.00 C ATOM 667 C TYR B 211 -7.536 5.293 -4.377 1.00 15.00 C ATOM 668 O TYR B 211 -6.753 6.213 -4.148 1.00 15.00 O ATOM 669 CB TYR B 211 -6.281 3.922 -6.100 1.00 15.00 C ATOM 670 CG TYR B 211 -5.347 5.106 -6.254 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.070 5.072 -5.717 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.764 6.279 -6.880 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.235 6.165 -5.793 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.927 7.374 -6.969 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.665 7.312 -6.422 1.00 15.00 C ATOM 676 OH TYR B 211 -2.835 8.402 -6.495 1.00 15.00 O ATOM 0 H TYR B 211 -8.210 2.420 -5.587 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.268 3.638 -3.959 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.715 2.999 -6.227 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.028 3.949 -6.893 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.723 4.172 -5.230 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.757 6.333 -7.302 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.246 6.122 -5.361 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.260 8.274 -7.465 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.289 9.128 -6.972 1.00 15.00 H new ATOM 686 N SER B 212 -8.853 5.446 -4.259 1.00 15.00 N ATOM 687 CA SER B 212 -9.478 6.756 -4.429 1.00 15.00 C ATOM 688 C SER B 212 -8.928 7.785 -3.432 1.00 15.00 C ATOM 689 O SER B 212 -8.244 8.718 -3.856 1.00 15.00 O ATOM 690 CB SER B 212 -10.997 6.629 -4.281 1.00 15.00 C ATOM 691 OG SER B 212 -11.649 7.844 -4.604 1.00 15.00 O ATOM 0 H SER B 212 -9.502 4.688 -4.049 1.00 15.00 H new ATOM 0 HA SER B 212 -9.239 7.115 -5.430 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.363 5.834 -4.931 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.242 6.343 -3.258 1.00 15.00 H new ATOM 0 HG SER B 212 -12.617 7.733 -4.502 1.00 15.00 H new ATOM 697 N ARG B 213 -9.203 7.672 -2.138 1.00 15.00 N ATOM 698 CA ARG B 213 -8.485 8.533 -1.205 1.00 15.00 C ATOM 699 C ARG B 213 -7.691 7.729 -0.184 1.00 15.00 C ATOM 700 O ARG B 213 -6.462 7.675 -0.243 1.00 15.00 O ATOM 701 CB ARG B 213 -9.461 9.452 -0.462 1.00 15.00 C ATOM 702 CG ARG B 213 -10.151 10.473 -1.345 1.00 15.00 C ATOM 703 CD ARG B 213 -9.173 11.497 -1.900 1.00 15.00 C ATOM 704 NE ARG B 213 -9.871 12.510 -2.695 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.324 13.643 -3.139 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.066 13.949 -2.844 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -10.052 14.479 -3.868 1.00 15.00 N ATOM 0 H ARG B 213 -9.880 7.030 -1.726 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.788 9.128 -1.796 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.219 8.839 0.026 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.920 9.976 0.326 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.649 9.962 -2.169 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.925 10.984 -0.772 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.639 11.977 -1.080 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.427 10.996 -2.517 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.849 12.336 -2.927 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.507 13.315 -2.273 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.658 14.818 -3.189 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.023 14.254 -4.085 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.641 15.347 -4.211 1.00 15.00 H new ATOM 721 N TYR B 214 -8.399 7.095 0.735 1.00 15.00 N ATOM 722 CA TYR B 214 -7.772 6.294 1.776 1.00 15.00 C ATOM 723 C TYR B 214 -8.245 4.850 1.730 1.00 15.00 C ATOM 724 O TYR B 214 -9.433 4.591 1.536 1.00 15.00 O ATOM 725 CB TYR B 214 -7.987 6.944 3.146 1.00 15.00 C ATOM 726 CG TYR B 214 -6.997 8.070 3.389 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.931 9.163 2.527 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.100 8.020 4.448 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.005 10.168 2.708 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.175 9.030 4.645 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.129 10.098 3.771 1.00 15.00 C ATOM 732 OH TYR B 214 -4.195 11.093 3.957 1.00 15.00 O ATOM 0 H TYR B 214 -9.418 7.119 0.782 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.698 6.264 1.595 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.004 7.332 3.210 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.883 6.191 3.927 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.621 9.224 1.698 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.125 7.181 5.127 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.966 11.003 2.024 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.491 8.983 5.480 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.657 10.892 4.751 1.00 15.00 H new ATOM 742 N PRO B 215 -7.331 3.895 1.936 1.00 15.00 N ATOM 743 CA PRO B 215 -7.639 2.464 1.862 1.00 15.00 C ATOM 744 C PRO B 215 -8.554 1.964 2.975 1.00 15.00 C ATOM 745 O PRO B 215 -9.376 1.074 2.757 1.00 15.00 O ATOM 746 CB PRO B 215 -6.272 1.790 1.996 1.00 15.00 C ATOM 747 CG PRO B 215 -5.280 2.859 1.729 1.00 15.00 C ATOM 748 CD PRO B 215 -5.909 4.123 2.229 1.00 15.00 C ATOM 0 HA PRO B 215 -8.175 2.243 0.939 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.137 1.369 2.992 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.167 0.970 1.286 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.340 2.659 2.243 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.054 2.928 0.665 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.731 4.273 3.294 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.522 5.002 1.714 1.00 15.00 H new ATOM 756 N MET B 216 -8.399 2.510 4.171 1.00 15.00 N ATOM 757 CA MET B 216 -9.120 1.989 5.321 1.00 15.00 C ATOM 758 C MET B 216 -9.624 3.118 6.210 1.00 15.00 C ATOM 759 O MET B 216 -8.857 3.993 6.613 1.00 15.00 O ATOM 760 CB MET B 216 -8.215 1.051 6.127 1.00 15.00 C ATOM 761 CG MET B 216 -8.950 0.189 7.152 1.00 15.00 C ATOM 762 SD MET B 216 -9.802 -1.235 6.423 1.00 15.00 S ATOM 763 CE MET B 216 -11.146 -0.457 5.529 1.00 15.00 C ATOM 0 H MET B 216 -7.789 3.303 4.369 1.00 15.00 H new ATOM 0 HA MET B 216 -9.983 1.432 4.957 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.683 0.397 5.436 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.463 1.647 6.644 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.236 -0.166 7.895 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.677 0.806 7.679 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.987 -1.147 5.464 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.457 0.446 6.054 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.812 -0.196 4.525 1.00 15.00 H new ATOM 773 N ASP B 217 -10.915 3.084 6.504 1.00 15.00 N ATOM 774 CA ASP B 217 -11.532 4.048 7.401 1.00 15.00 C ATOM 775 C ASP B 217 -11.771 3.409 8.761 1.00 15.00 C ATOM 776 O ASP B 217 -11.036 3.735 9.713 1.00 15.00 O ATOM 777 CB ASP B 217 -12.857 4.558 6.823 1.00 15.00 C ATOM 778 CG ASP B 217 -13.640 5.399 7.812 1.00 15.00 C ATOM 779 OD1 ASP B 217 -13.109 6.426 8.283 1.00 15.00 O1- ATOM 780 OD2 ASP B 217 -14.795 5.038 8.122 1.00 15.00 O ATOM 781 OXT ASP B 217 -12.671 2.550 8.860 1.00 15.00 O ATOM 0 H ASP B 217 -11.562 2.390 6.129 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.857 4.896 7.514 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.656 5.148 5.929 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.465 3.708 6.513 1.00 15.00 H new TER 786 ASP B 217