USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 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= 0.913 K(o=1.7,f=-6.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 128:sc= 0.763 USER MOD Set 2.1: A 182 THR OG1 : rot 118:sc= -0.664 USER MOD Set 2.2: A 184 SER OG : rot 116:sc= 1.49 USER MOD Set 2.3: A 186 GLN : amide:sc= 1.08 K(o=1.9,f=-3.9!) USER MOD Single : A 179 MET CE :methyl 177:sc= -7.79! (180deg=-7.93!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot -37:sc= 0.00563 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.862 USER MOD Single : A 192 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-5.6!) USER MOD Single : A 195 GLN : amide:sc=-0.000451 K(o=-0.00045,f=-0.81) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= -2.45! C(o=-3.7!,f=-2.4!) USER MOD Single : A 204 LYS NZ :NH3+ 169:sc= -0.0118 (180deg=-0.135) USER MOD Single : B 206 SER OG : rot 180:sc= 0.0113 USER MOD Single : B 211 TYR OH : rot 180:sc= -0.265 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 -160:sc= -2.18! (180deg=-3.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 10.834 6.673 7.083 1.00 15.00 N ATOM 2 CA ASP A 170 11.392 7.066 5.768 1.00 15.00 C ATOM 3 C ASP A 170 11.927 5.851 5.005 1.00 15.00 C ATOM 4 O ASP A 170 11.617 5.669 3.831 1.00 15.00 O ATOM 5 CB ASP A 170 12.509 8.107 5.958 1.00 15.00 C ATOM 6 CG ASP A 170 13.642 7.609 6.846 1.00 15.00 C ATOM 7 OD1 ASP A 170 13.406 6.689 7.661 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 14.773 8.123 6.725 1.00 15.00 O ATOM 0 HA ASP A 170 10.588 7.506 5.178 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.912 8.381 4.983 1.00 15.00 H new ATOM 0 HB3 ASP A 170 12.085 9.012 6.393 1.00 15.00 H new ATOM 15 N VAL A 171 12.751 5.038 5.661 1.00 15.00 N ATOM 16 CA VAL A 171 13.283 3.830 5.035 1.00 15.00 C ATOM 17 C VAL A 171 12.271 2.669 5.063 1.00 15.00 C ATOM 18 O VAL A 171 12.030 2.040 4.033 1.00 15.00 O ATOM 19 CB VAL A 171 14.610 3.375 5.686 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.179 2.164 4.956 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.620 4.514 5.699 1.00 15.00 C ATOM 0 H VAL A 171 13.063 5.192 6.620 1.00 15.00 H new ATOM 0 HA VAL A 171 13.478 4.095 3.996 1.00 15.00 H new ATOM 0 HB VAL A 171 14.403 3.088 6.717 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.112 1.859 5.429 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.464 1.343 5.002 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.368 2.423 3.914 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.547 4.173 6.161 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.821 4.834 4.677 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.217 5.351 6.269 1.00 15.00 H new ATOM 31 N PRO A 172 11.669 2.348 6.237 1.00 15.00 N ATOM 32 CA PRO A 172 10.655 1.288 6.329 1.00 15.00 C ATOM 33 C PRO A 172 9.362 1.663 5.616 1.00 15.00 C ATOM 34 O PRO A 172 8.617 0.796 5.165 1.00 15.00 O ATOM 35 CB PRO A 172 10.410 1.129 7.836 1.00 15.00 C ATOM 36 CG PRO A 172 11.553 1.823 8.495 1.00 15.00 C ATOM 37 CD PRO A 172 11.956 2.925 7.561 1.00 15.00 C ATOM 0 HA PRO A 172 10.994 0.370 5.849 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.459 1.573 8.129 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.372 0.077 8.120 1.00 15.00 H new ATOM 0 HG2 PRO A 172 11.261 2.221 9.467 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.381 1.135 8.668 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.384 3.836 7.738 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.009 3.184 7.670 1.00 15.00 H new ATOM 45 N LEU A 173 9.086 2.956 5.546 1.00 15.00 N ATOM 46 CA LEU A 173 7.919 3.446 4.833 1.00 15.00 C ATOM 47 C LEU A 173 8.330 4.537 3.847 1.00 15.00 C ATOM 48 O LEU A 173 8.616 5.665 4.255 1.00 15.00 O ATOM 49 CB LEU A 173 6.863 4.001 5.799 1.00 15.00 C ATOM 50 CG LEU A 173 6.344 3.035 6.872 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.266 3.714 7.701 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.796 1.758 6.252 1.00 15.00 C ATOM 0 H LEU A 173 9.656 3.685 5.975 1.00 15.00 H new ATOM 0 HA LEU A 173 7.482 2.606 4.294 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.283 4.874 6.299 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.013 4.349 5.212 1.00 15.00 H new ATOM 0 HG LEU A 173 7.181 2.763 7.515 1.00 15.00 H new ATOM 0 HD11 LEU A 173 4.902 3.023 8.461 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.682 4.598 8.184 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.440 4.009 7.053 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.437 1.096 7.040 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.973 2.003 5.581 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.585 1.258 5.690 1.00 15.00 H new ATOM 64 N PRO A 174 8.419 4.192 2.551 1.00 15.00 N ATOM 65 CA PRO A 174 8.749 5.149 1.484 1.00 15.00 C ATOM 66 C PRO A 174 7.734 6.293 1.380 1.00 15.00 C ATOM 67 O PRO A 174 6.558 6.133 1.713 1.00 15.00 O ATOM 68 CB PRO A 174 8.721 4.289 0.212 1.00 15.00 C ATOM 69 CG PRO A 174 8.903 2.892 0.686 1.00 15.00 C ATOM 70 CD PRO A 174 8.233 2.830 2.024 1.00 15.00 C ATOM 0 HA PRO A 174 9.705 5.640 1.664 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.778 4.405 -0.322 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.514 4.578 -0.477 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.457 2.181 -0.009 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.960 2.640 0.765 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.178 2.572 1.935 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.691 2.081 2.670 1.00 15.00 H new ATOM 78 N ALA A 175 8.191 7.433 0.876 1.00 15.00 N ATOM 79 CA ALA A 175 7.345 8.612 0.748 1.00 15.00 C ATOM 80 C ALA A 175 6.641 8.622 -0.603 1.00 15.00 C ATOM 81 O ALA A 175 7.222 8.236 -1.619 1.00 15.00 O ATOM 82 CB ALA A 175 8.173 9.875 0.926 1.00 15.00 C ATOM 0 H ALA A 175 9.148 7.565 0.548 1.00 15.00 H new ATOM 0 HA ALA A 175 6.585 8.580 1.529 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.529 10.749 0.828 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.633 9.872 1.914 1.00 15.00 H new ATOM 0 HB3 ALA A 175 8.951 9.910 0.164 1.00 15.00 H new ATOM 88 N GLY A 176 5.392 9.070 -0.603 1.00 15.00 N ATOM 89 CA GLY A 176 4.571 9.008 -1.798 1.00 15.00 C ATOM 90 C GLY A 176 3.864 7.674 -1.900 1.00 15.00 C ATOM 91 O GLY A 176 3.309 7.318 -2.944 1.00 15.00 O ATOM 0 H GLY A 176 4.930 9.478 0.209 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.836 9.813 -1.781 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.193 9.163 -2.680 1.00 15.00 H new ATOM 95 N TRP A 177 3.864 6.954 -0.787 1.00 15.00 N ATOM 96 CA TRP A 177 3.268 5.634 -0.710 1.00 15.00 C ATOM 97 C TRP A 177 2.289 5.578 0.456 1.00 15.00 C ATOM 98 O TRP A 177 2.553 6.136 1.524 1.00 15.00 O ATOM 99 CB TRP A 177 4.352 4.568 -0.507 1.00 15.00 C ATOM 100 CG TRP A 177 5.300 4.417 -1.659 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.334 5.242 -1.982 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.316 3.359 -2.620 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.986 4.774 -3.094 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.379 3.618 -3.506 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.532 2.220 -2.824 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.680 2.783 -4.574 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.834 1.390 -3.884 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.899 1.675 -4.748 1.00 15.00 C ATOM 0 H TRP A 177 4.279 7.272 0.089 1.00 15.00 H new ATOM 0 HA TRP A 177 2.742 5.437 -1.644 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.924 4.815 0.387 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.870 3.608 -0.322 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.602 6.137 -1.440 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.790 5.214 -3.540 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.707 1.994 -2.165 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.500 3.001 -5.242 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.238 0.505 -4.051 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.107 1.005 -5.569 1.00 15.00 H new ATOM 119 N GLU A 178 1.170 4.903 0.252 1.00 15.00 N ATOM 120 CA GLU A 178 0.197 4.704 1.317 1.00 15.00 C ATOM 121 C GLU A 178 0.527 3.415 2.055 1.00 15.00 C ATOM 122 O GLU A 178 0.424 2.327 1.486 1.00 15.00 O ATOM 123 CB GLU A 178 -1.221 4.637 0.750 1.00 15.00 C ATOM 124 CG GLU A 178 -2.306 4.743 1.806 1.00 15.00 C ATOM 125 CD GLU A 178 -2.417 6.146 2.362 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.628 6.503 3.258 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -3.276 6.905 1.876 1.00 15.00 O ATOM 0 H GLU A 178 0.911 4.483 -0.641 1.00 15.00 H new ATOM 0 HA GLU A 178 0.245 5.547 2.007 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.352 5.441 0.026 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.343 3.698 0.210 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.262 4.447 1.375 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.092 4.047 2.617 1.00 15.00 H new ATOM 134 N MET A 179 0.939 3.539 3.308 1.00 15.00 N ATOM 135 CA MET A 179 1.427 2.395 4.066 1.00 15.00 C ATOM 136 C MET A 179 0.398 1.944 5.093 1.00 15.00 C ATOM 137 O MET A 179 0.130 2.662 6.058 1.00 15.00 O ATOM 138 CB MET A 179 2.729 2.751 4.797 1.00 15.00 C ATOM 139 CG MET A 179 3.654 3.673 4.018 1.00 15.00 C ATOM 140 SD MET A 179 4.163 2.989 2.430 1.00 15.00 S ATOM 141 CE MET A 179 5.235 1.661 2.961 1.00 15.00 C ATOM 0 H MET A 179 0.945 4.420 3.822 1.00 15.00 H new ATOM 0 HA MET A 179 1.610 1.586 3.359 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.480 3.224 5.747 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.265 1.830 5.029 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.151 4.626 3.852 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.540 3.880 4.618 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.587 1.108 2.090 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.089 2.075 3.498 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.684 0.989 3.619 1.00 15.00 H new ATOM 151 N ALA A 180 -0.187 0.768 4.892 1.00 15.00 N ATOM 152 CA ALA A 180 -1.096 0.213 5.885 1.00 15.00 C ATOM 153 C ALA A 180 -1.058 -1.304 5.874 1.00 15.00 C ATOM 154 O ALA A 180 -0.811 -1.925 4.839 1.00 15.00 O ATOM 155 CB ALA A 180 -2.516 0.710 5.675 1.00 15.00 C ATOM 0 H ALA A 180 -0.050 0.189 4.063 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.759 0.557 6.863 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.169 0.277 6.433 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.537 1.797 5.756 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.863 0.413 4.685 1.00 15.00 H new ATOM 161 N LYS A 181 -1.298 -1.894 7.035 1.00 15.00 N ATOM 162 CA LYS A 181 -1.256 -3.338 7.190 1.00 15.00 C ATOM 163 C LYS A 181 -2.482 -3.803 7.959 1.00 15.00 C ATOM 164 O LYS A 181 -2.756 -3.313 9.057 1.00 15.00 O ATOM 165 CB LYS A 181 0.010 -3.752 7.947 1.00 15.00 C ATOM 166 CG LYS A 181 1.294 -3.207 7.342 1.00 15.00 C ATOM 167 CD LYS A 181 2.487 -3.494 8.233 1.00 15.00 C ATOM 168 CE LYS A 181 3.745 -2.809 7.726 1.00 15.00 C ATOM 169 NZ LYS A 181 4.891 -3.018 8.649 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.526 -1.388 7.891 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.246 -3.800 6.203 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -0.067 -3.411 8.979 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.066 -4.840 7.974 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.454 -3.653 6.361 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.200 -2.132 7.191 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.273 -3.157 9.247 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.653 -4.570 8.283 1.00 15.00 H new ATOM 0 HE2 LYS A 181 3.997 -3.195 6.738 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.558 -1.741 7.613 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.733 -2.537 8.272 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.659 -2.627 9.585 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.085 -4.036 8.737 1.00 15.00 H new ATOM 183 N THR A 182 -3.207 -4.751 7.399 1.00 15.00 N ATOM 184 CA THR A 182 -4.400 -5.261 8.043 1.00 15.00 C ATOM 185 C THR A 182 -4.043 -6.438 8.943 1.00 15.00 C ATOM 186 O THR A 182 -3.188 -7.257 8.595 1.00 15.00 O ATOM 187 CB THR A 182 -5.441 -5.711 6.999 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.861 -6.675 6.116 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.949 -4.532 6.186 1.00 15.00 C ATOM 0 H THR A 182 -2.991 -5.183 6.501 1.00 15.00 H new ATOM 0 HA THR A 182 -4.831 -4.459 8.642 1.00 15.00 H new ATOM 0 HB THR A 182 -6.281 -6.154 7.534 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.338 -7.527 6.203 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.682 -4.881 5.458 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.416 -3.805 6.851 1.00 15.00 H new ATOM 0 HG23 THR A 182 -5.115 -4.063 5.665 1.00 15.00 H new ATOM 197 N SER A 183 -4.699 -6.521 10.098 1.00 15.00 N ATOM 198 CA SER A 183 -4.409 -7.569 11.072 1.00 15.00 C ATOM 199 C SER A 183 -4.872 -8.926 10.540 1.00 15.00 C ATOM 200 O SER A 183 -4.511 -9.977 11.070 1.00 15.00 O ATOM 201 CB SER A 183 -5.070 -7.251 12.416 1.00 15.00 C ATOM 202 OG SER A 183 -4.477 -7.992 13.470 1.00 15.00 O ATOM 0 H SER A 183 -5.435 -5.875 10.382 1.00 15.00 H new ATOM 0 HA SER A 183 -3.331 -7.613 11.231 1.00 15.00 H new ATOM 0 HB2 SER A 183 -4.982 -6.185 12.624 1.00 15.00 H new ATOM 0 HB3 SER A 183 -6.135 -7.478 12.363 1.00 15.00 H new ATOM 0 HG SER A 183 -4.240 -8.887 13.148 1.00 15.00 H new ATOM 208 N SER A 184 -5.696 -8.878 9.498 1.00 15.00 N ATOM 209 CA SER A 184 -6.086 -10.062 8.745 1.00 15.00 C ATOM 210 C SER A 184 -4.874 -10.659 8.018 1.00 15.00 C ATOM 211 O SER A 184 -4.922 -11.788 7.523 1.00 15.00 O ATOM 212 CB SER A 184 -7.216 -9.723 7.772 1.00 15.00 C ATOM 213 OG SER A 184 -6.944 -8.521 7.076 1.00 15.00 O ATOM 0 H SER A 184 -6.113 -8.014 9.152 1.00 15.00 H new ATOM 0 HA SER A 184 -6.459 -10.816 9.438 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.344 -10.538 7.060 1.00 15.00 H new ATOM 0 HB3 SER A 184 -8.154 -9.626 8.318 1.00 15.00 H new ATOM 0 HG SER A 184 -6.851 -8.711 6.119 1.00 15.00 H new ATOM 219 N GLY A 185 -3.801 -9.873 7.947 1.00 15.00 N ATOM 220 CA GLY A 185 -2.578 -10.296 7.295 1.00 15.00 C ATOM 221 C GLY A 185 -2.520 -9.941 5.824 1.00 15.00 C ATOM 222 O GLY A 185 -2.266 -10.793 4.972 1.00 15.00 O ATOM 0 H GLY A 185 -3.762 -8.932 8.339 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.729 -9.840 7.804 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.473 -11.375 7.404 1.00 15.00 H new ATOM 226 N GLN A 186 -2.751 -8.666 5.528 1.00 15.00 N ATOM 227 CA GLN A 186 -2.491 -8.126 4.198 1.00 15.00 C ATOM 228 C GLN A 186 -1.676 -6.847 4.307 1.00 15.00 C ATOM 229 O GLN A 186 -2.100 -5.877 4.936 1.00 15.00 O ATOM 230 CB GLN A 186 -3.777 -7.841 3.409 1.00 15.00 C ATOM 231 CG GLN A 186 -4.458 -9.083 2.857 1.00 15.00 C ATOM 232 CD GLN A 186 -5.309 -9.795 3.888 1.00 15.00 C ATOM 233 OE1 GLN A 186 -5.884 -9.164 4.774 1.00 15.00 O ATOM 234 NE2 GLN A 186 -5.382 -11.111 3.793 1.00 15.00 N ATOM 0 H GLN A 186 -3.119 -7.986 6.193 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.934 -8.888 3.653 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.478 -7.314 4.056 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.541 -7.171 2.582 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -5.082 -8.802 2.009 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -3.700 -9.770 2.481 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -4.890 -11.596 3.043 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -5.930 -11.642 4.470 1.00 15.00 H new ATOM 243 N ARG A 187 -0.505 -6.858 3.701 1.00 15.00 N ATOM 244 CA ARG A 187 0.353 -5.686 3.671 1.00 15.00 C ATOM 245 C ARG A 187 0.273 -5.030 2.295 1.00 15.00 C ATOM 246 O ARG A 187 0.768 -5.577 1.311 1.00 15.00 O ATOM 247 CB ARG A 187 1.801 -6.076 4.012 1.00 15.00 C ATOM 248 CG ARG A 187 2.329 -7.245 3.195 1.00 15.00 C ATOM 249 CD ARG A 187 3.643 -7.780 3.742 1.00 15.00 C ATOM 250 NE ARG A 187 4.766 -6.863 3.546 1.00 15.00 N ATOM 251 CZ ARG A 187 5.972 -7.060 4.081 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.161 -8.071 4.918 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.977 -6.238 3.805 1.00 15.00 N ATOM 0 H ARG A 187 -0.122 -7.671 3.219 1.00 15.00 H new ATOM 0 HA ARG A 187 0.014 -4.970 4.419 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.447 -5.213 3.854 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.860 -6.328 5.071 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.588 -8.045 3.187 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.469 -6.930 2.161 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.530 -7.983 4.807 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.870 -8.730 3.259 1.00 15.00 H new ATOM 0 HE ARG A 187 4.620 -6.032 2.972 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.386 -8.693 5.150 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.081 -8.227 5.330 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.831 -5.446 3.178 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.895 -6.398 4.220 1.00 15.00 H new ATOM 267 N TYR A 188 -0.388 -3.881 2.205 1.00 15.00 N ATOM 268 CA TYR A 188 -0.540 -3.218 0.924 1.00 15.00 C ATOM 269 C TYR A 188 0.081 -1.835 0.952 1.00 15.00 C ATOM 270 O TYR A 188 0.107 -1.159 1.989 1.00 15.00 O ATOM 271 CB TYR A 188 -2.015 -3.139 0.496 1.00 15.00 C ATOM 272 CG TYR A 188 -2.936 -2.423 1.462 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.801 -1.063 1.709 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.951 -3.108 2.111 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.641 -0.407 2.579 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.802 -2.456 2.986 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.639 -1.110 3.221 1.00 15.00 C ATOM 278 OH TYR A 188 -5.483 -0.465 4.097 1.00 15.00 O ATOM 0 H TYR A 188 -0.820 -3.399 2.993 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.012 -3.819 0.184 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.069 -2.637 -0.470 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.388 -4.153 0.349 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.021 -0.509 1.208 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.080 -4.165 1.931 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.520 0.651 2.758 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.591 -3.001 3.482 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.129 -1.106 4.461 1.00 15.00 H new ATOM 288 N PHE A 189 0.571 -1.422 -0.199 1.00 15.00 N ATOM 289 CA PHE A 189 1.177 -0.120 -0.351 1.00 15.00 C ATOM 290 C PHE A 189 0.597 0.557 -1.582 1.00 15.00 C ATOM 291 O PHE A 189 0.614 -0.008 -2.675 1.00 15.00 O ATOM 292 CB PHE A 189 2.694 -0.261 -0.481 1.00 15.00 C ATOM 293 CG PHE A 189 3.301 -1.135 0.584 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.367 -0.706 1.899 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.790 -2.392 0.272 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.912 -1.510 2.881 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.333 -3.201 1.250 1.00 15.00 C ATOM 298 CZ PHE A 189 4.396 -2.758 2.557 1.00 15.00 C ATOM 0 H PHE A 189 0.559 -1.980 -1.053 1.00 15.00 H new ATOM 0 HA PHE A 189 0.965 0.490 0.527 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.931 -0.675 -1.461 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.150 0.728 -0.434 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.987 0.271 2.160 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.746 -2.744 -0.748 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.959 -1.160 3.902 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.709 -4.180 0.993 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.824 -3.389 3.323 1.00 15.00 H new ATOM 308 N LEU A 190 0.060 1.749 -1.407 1.00 15.00 N ATOM 309 CA LEU A 190 -0.474 2.498 -2.532 1.00 15.00 C ATOM 310 C LEU A 190 0.597 3.372 -3.149 1.00 15.00 C ATOM 311 O LEU A 190 1.355 4.017 -2.429 1.00 15.00 O ATOM 312 CB LEU A 190 -1.591 3.441 -2.103 1.00 15.00 C ATOM 313 CG LEU A 190 -3.020 2.921 -2.122 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.930 4.060 -2.550 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.175 1.722 -3.048 1.00 15.00 C ATOM 0 H LEU A 190 -0.019 2.218 -0.505 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.846 1.756 -3.238 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.372 3.776 -1.089 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.549 4.321 -2.745 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.292 2.575 -1.125 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.963 3.712 -2.572 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.839 4.884 -1.842 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.642 4.402 -3.544 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.210 1.382 -3.032 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.903 2.009 -4.064 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.523 0.916 -2.712 1.00 15.00 H new ATOM 327 N ASN A 191 0.631 3.457 -4.467 1.00 15.00 N ATOM 328 CA ASN A 191 1.411 4.494 -5.095 1.00 15.00 C ATOM 329 C ASN A 191 0.512 5.698 -5.263 1.00 15.00 C ATOM 330 O ASN A 191 -0.286 5.754 -6.202 1.00 15.00 O ATOM 331 CB ASN A 191 1.963 4.077 -6.464 1.00 15.00 C ATOM 332 CG ASN A 191 2.801 2.813 -6.430 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.488 1.859 -5.721 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.883 2.805 -7.191 1.00 15.00 N ATOM 0 H ASN A 191 0.138 2.833 -5.106 1.00 15.00 H new ATOM 0 HA ASN A 191 2.273 4.711 -4.464 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.130 3.930 -7.151 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.567 4.891 -6.864 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.492 1.987 -7.203 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.108 3.617 -7.766 1.00 15.00 H new ATOM 341 N HIS A 192 0.591 6.631 -4.313 1.00 15.00 N ATOM 342 CA HIS A 192 -0.231 7.841 -4.356 1.00 15.00 C ATOM 343 C HIS A 192 0.236 8.743 -5.491 1.00 15.00 C ATOM 344 O HIS A 192 -0.416 9.728 -5.835 1.00 15.00 O ATOM 345 CB HIS A 192 -0.184 8.604 -3.023 1.00 15.00 C ATOM 346 CG HIS A 192 -1.368 8.360 -2.121 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.518 9.124 -2.156 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.568 7.444 -1.146 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.367 8.683 -1.249 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.818 7.666 -0.618 1.00 15.00 N ATOM 0 H HIS A 192 1.214 6.572 -3.507 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.264 7.540 -4.530 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.726 8.325 -2.491 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.116 9.672 -3.232 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.872 6.677 -0.838 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.349 9.088 -1.056 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.248 7.132 0.137 1.00 15.00 H new ATOM 359 N ILE A 193 1.384 8.395 -6.054 1.00 15.00 N ATOM 360 CA ILE A 193 1.935 9.100 -7.198 1.00 15.00 C ATOM 361 C ILE A 193 1.491 8.435 -8.500 1.00 15.00 C ATOM 362 O ILE A 193 0.896 9.074 -9.365 1.00 15.00 O ATOM 363 CB ILE A 193 3.479 9.118 -7.137 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.953 9.681 -5.793 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.051 9.934 -8.289 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.447 9.558 -5.576 1.00 15.00 C ATOM 0 H ILE A 193 1.958 7.617 -5.730 1.00 15.00 H new ATOM 0 HA ILE A 193 1.564 10.125 -7.170 1.00 15.00 H new ATOM 0 HB ILE A 193 3.840 8.094 -7.230 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.670 10.732 -5.729 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.434 9.162 -4.988 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.139 9.935 -8.229 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.740 9.494 -9.236 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.683 10.958 -8.227 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.709 9.977 -4.605 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.734 8.507 -5.607 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.974 10.101 -6.360 1.00 15.00 H new ATOM 378 N ASP A 194 1.760 7.137 -8.612 1.00 15.00 N ATOM 379 CA ASP A 194 1.503 6.393 -9.846 1.00 15.00 C ATOM 380 C ASP A 194 0.031 6.046 -10.010 1.00 15.00 C ATOM 381 O ASP A 194 -0.396 5.666 -11.101 1.00 15.00 O ATOM 382 CB ASP A 194 2.305 5.092 -9.871 1.00 15.00 C ATOM 383 CG ASP A 194 3.792 5.307 -9.711 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.468 5.567 -10.722 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.288 5.196 -8.570 1.00 15.00 O1- ATOM 0 H ASP A 194 2.158 6.574 -7.860 1.00 15.00 H new ATOM 0 HA ASP A 194 1.808 7.044 -10.666 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.951 4.439 -9.073 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.118 4.575 -10.812 1.00 15.00 H new ATOM 390 N GLN A 195 -0.727 6.141 -8.921 1.00 15.00 N ATOM 391 CA GLN A 195 -2.131 5.733 -8.911 1.00 15.00 C ATOM 392 C GLN A 195 -2.238 4.241 -9.206 1.00 15.00 C ATOM 393 O GLN A 195 -2.771 3.819 -10.235 1.00 15.00 O ATOM 394 CB GLN A 195 -2.957 6.572 -9.913 1.00 15.00 C ATOM 395 CG GLN A 195 -4.431 6.186 -9.991 1.00 15.00 C ATOM 396 CD GLN A 195 -5.257 7.143 -10.831 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.968 8.337 -10.911 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.301 6.625 -11.457 1.00 15.00 N ATOM 0 H GLN A 195 -0.390 6.500 -8.027 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.547 5.916 -7.920 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.883 7.624 -9.636 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.514 6.472 -10.904 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.515 5.182 -10.407 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.844 6.149 -8.983 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.508 5.630 -11.366 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.899 7.220 -12.030 1.00 15.00 H new ATOM 407 N THR A 196 -1.659 3.439 -8.327 1.00 15.00 N ATOM 408 CA THR A 196 -1.765 1.995 -8.457 1.00 15.00 C ATOM 409 C THR A 196 -1.706 1.318 -7.090 1.00 15.00 C ATOM 410 O THR A 196 -1.107 1.850 -6.149 1.00 15.00 O ATOM 411 CB THR A 196 -0.678 1.416 -9.402 1.00 15.00 C ATOM 412 OG1 THR A 196 -1.118 0.163 -9.942 1.00 15.00 O ATOM 413 CG2 THR A 196 0.648 1.213 -8.684 1.00 15.00 C ATOM 0 H THR A 196 -1.117 3.759 -7.524 1.00 15.00 H new ATOM 0 HA THR A 196 -2.735 1.784 -8.907 1.00 15.00 H new ATOM 0 HB THR A 196 -0.524 2.138 -10.204 1.00 15.00 H new ATOM 0 HG1 THR A 196 -0.429 -0.196 -10.539 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.381 0.807 -9.381 1.00 15.00 H new ATOM 0 HG22 THR A 196 1.004 2.169 -8.300 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.511 0.518 -7.856 1.00 15.00 H new ATOM 421 N THR A 197 -2.369 0.176 -6.979 1.00 15.00 N ATOM 422 CA THR A 197 -2.343 -0.613 -5.762 1.00 15.00 C ATOM 423 C THR A 197 -1.218 -1.649 -5.832 1.00 15.00 C ATOM 424 O THR A 197 -1.041 -2.309 -6.858 1.00 15.00 O ATOM 425 CB THR A 197 -3.684 -1.333 -5.553 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.765 -0.476 -5.961 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.859 -1.707 -4.092 1.00 15.00 C ATOM 0 H THR A 197 -2.936 -0.225 -7.726 1.00 15.00 H new ATOM 0 HA THR A 197 -2.168 0.061 -4.923 1.00 15.00 H new ATOM 0 HB THR A 197 -3.691 -2.241 -6.156 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.618 -0.940 -5.828 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.813 -2.216 -3.959 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.049 -2.369 -3.786 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.841 -0.805 -3.481 1.00 15.00 H new ATOM 435 N THR A 198 -0.465 -1.785 -4.750 1.00 15.00 N ATOM 436 CA THR A 198 0.692 -2.667 -4.725 1.00 15.00 C ATOM 437 C THR A 198 0.647 -3.628 -3.521 1.00 15.00 C ATOM 438 O THR A 198 0.570 -3.184 -2.375 1.00 15.00 O ATOM 439 CB THR A 198 1.982 -1.816 -4.671 1.00 15.00 C ATOM 440 OG1 THR A 198 2.047 -0.954 -5.817 1.00 15.00 O ATOM 441 CG2 THR A 198 3.228 -2.681 -4.619 1.00 15.00 C ATOM 0 H THR A 198 -0.636 -1.293 -3.873 1.00 15.00 H new ATOM 0 HA THR A 198 0.681 -3.272 -5.632 1.00 15.00 H new ATOM 0 HB THR A 198 1.945 -1.222 -3.758 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.205 -0.032 -5.524 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.112 -2.044 -4.582 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.197 -3.311 -3.730 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.271 -3.310 -5.508 1.00 15.00 H new ATOM 449 N TRP A 199 0.665 -4.945 -3.782 1.00 15.00 N ATOM 450 CA TRP A 199 0.775 -5.938 -2.705 1.00 15.00 C ATOM 451 C TRP A 199 2.240 -6.159 -2.321 1.00 15.00 C ATOM 452 O TRP A 199 2.556 -6.491 -1.177 1.00 15.00 O ATOM 453 CB TRP A 199 0.209 -7.309 -3.109 1.00 15.00 C ATOM 454 CG TRP A 199 -1.285 -7.487 -3.077 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.047 -8.013 -4.085 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.201 -7.177 -2.011 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.354 -8.109 -3.694 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.472 -7.603 -2.436 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.088 -6.602 -0.737 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.594 -7.488 -1.648 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.241 -6.461 0.028 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.474 -6.923 -0.445 1.00 15.00 C ATOM 0 H TRP A 199 0.605 -5.342 -4.720 1.00 15.00 H new ATOM 0 HA TRP A 199 0.200 -5.535 -1.871 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.551 -7.528 -4.121 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.650 -8.060 -2.454 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.670 -8.310 -5.052 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.115 -8.496 -4.253 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.130 -6.277 -0.359 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.551 -7.847 -1.996 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.184 -5.990 0.998 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.350 -6.820 0.179 1.00 15.00 H new ATOM 473 N GLN A 200 3.124 -6.020 -3.302 1.00 15.00 N ATOM 474 CA GLN A 200 4.527 -6.385 -3.134 1.00 15.00 C ATOM 475 C GLN A 200 5.353 -5.214 -2.624 1.00 15.00 C ATOM 476 O GLN A 200 5.391 -4.153 -3.237 1.00 15.00 O ATOM 477 CB GLN A 200 5.119 -6.932 -4.446 1.00 15.00 C ATOM 478 CG GLN A 200 4.763 -6.128 -5.693 1.00 15.00 C ATOM 479 CD GLN A 200 3.375 -6.442 -6.229 1.00 15.00 C ATOM 480 OE1 GLN A 200 2.932 -7.677 -6.049 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 2.710 -5.582 -6.804 1.00 15.00 N flip ATOM 0 H GLN A 200 2.893 -5.656 -4.226 1.00 15.00 H new ATOM 0 HA GLN A 200 4.567 -7.174 -2.384 1.00 15.00 H new ATOM 0 HB2 GLN A 200 6.204 -6.968 -4.351 1.00 15.00 H new ATOM 0 HB3 GLN A 200 4.777 -7.958 -4.582 1.00 15.00 H new ATOM 0 HG2 GLN A 200 4.825 -5.064 -5.462 1.00 15.00 H new ATOM 0 HG3 GLN A 200 5.500 -6.329 -6.470 1.00 15.00 H new ATOM 0 HE21 GLN A 200 3.086 -4.641 -6.923 1.00 15.00 H new ATOM 0 HE22 GLN A 200 1.782 -5.809 -7.162 1.00 15.00 H new ATOM 490 N ASP A 201 6.023 -5.433 -1.502 1.00 15.00 N ATOM 491 CA ASP A 201 6.800 -4.394 -0.836 1.00 15.00 C ATOM 492 C ASP A 201 7.877 -3.817 -1.757 1.00 15.00 C ATOM 493 O ASP A 201 8.794 -4.526 -2.176 1.00 15.00 O ATOM 494 CB ASP A 201 7.449 -4.965 0.422 1.00 15.00 C ATOM 495 CG ASP A 201 7.846 -3.890 1.408 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.629 -2.992 1.040 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.383 -3.950 2.567 1.00 15.00 O1- ATOM 0 H ASP A 201 6.044 -6.335 -1.027 1.00 15.00 H new ATOM 0 HA ASP A 201 6.120 -3.585 -0.569 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.756 -5.656 0.902 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.331 -5.541 0.142 1.00 15.00 H new ATOM 502 N PRO A 202 7.767 -2.517 -2.085 1.00 15.00 N ATOM 503 CA PRO A 202 8.730 -1.814 -2.946 1.00 15.00 C ATOM 504 C PRO A 202 10.159 -1.800 -2.393 1.00 15.00 C ATOM 505 O PRO A 202 11.105 -1.472 -3.112 1.00 15.00 O ATOM 506 CB PRO A 202 8.182 -0.384 -3.032 1.00 15.00 C ATOM 507 CG PRO A 202 7.205 -0.259 -1.910 1.00 15.00 C ATOM 508 CD PRO A 202 6.660 -1.638 -1.673 1.00 15.00 C ATOM 0 HA PRO A 202 8.816 -2.316 -3.910 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.983 0.349 -2.937 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.700 -0.206 -3.993 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.689 0.127 -1.013 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.406 0.437 -2.166 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.393 -1.791 -0.627 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.761 -1.821 -2.261 1.00 15.00 H new ATOM 516 N ARG A 203 10.317 -2.123 -1.116 1.00 15.00 N ATOM 517 CA ARG A 203 11.634 -2.123 -0.489 1.00 15.00 C ATOM 518 C ARG A 203 12.432 -3.360 -0.883 1.00 15.00 C ATOM 519 O ARG A 203 13.638 -3.431 -0.644 1.00 15.00 O ATOM 520 CB ARG A 203 11.515 -2.042 1.029 1.00 15.00 C ATOM 521 CG ARG A 203 10.882 -0.753 1.524 1.00 15.00 C ATOM 522 CD ARG A 203 10.608 -0.818 3.015 1.00 15.00 C ATOM 523 NE ARG A 203 9.716 -1.923 3.351 1.00 15.00 N ATOM 524 CZ ARG A 203 9.657 -2.508 4.548 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.515 -2.177 5.509 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.755 -3.455 4.764 1.00 15.00 N ATOM 0 H ARG A 203 9.552 -2.388 -0.495 1.00 15.00 H new ATOM 0 HA ARG A 203 12.166 -1.241 -0.846 1.00 15.00 H new ATOM 0 HB2 ARG A 203 10.924 -2.886 1.384 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.508 -2.141 1.468 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.543 0.087 1.309 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.951 -0.572 0.987 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.549 -0.933 3.553 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.164 0.121 3.345 1.00 15.00 H new ATOM 0 HE ARG A 203 9.095 -2.272 2.621 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.228 -1.469 5.334 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.460 -2.631 6.421 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.115 -3.729 4.019 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.701 -3.909 5.676 1.00 15.00 H new ATOM 540 N LYS A 204 11.746 -4.353 -1.445 1.00 15.00 N ATOM 541 CA LYS A 204 12.398 -5.583 -1.880 1.00 15.00 C ATOM 542 C LYS A 204 13.468 -5.294 -2.934 1.00 15.00 C ATOM 543 O LYS A 204 14.662 -5.384 -2.646 1.00 15.00 O ATOM 544 CB LYS A 204 11.364 -6.579 -2.417 1.00 15.00 C ATOM 545 CG LYS A 204 10.447 -7.139 -1.340 1.00 15.00 C ATOM 546 CD LYS A 204 9.405 -8.087 -1.918 1.00 15.00 C ATOM 547 CE LYS A 204 10.044 -9.304 -2.572 1.00 15.00 C ATOM 548 NZ LYS A 204 10.806 -10.131 -1.598 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.740 -4.329 -1.609 1.00 15.00 H new ATOM 0 HA LYS A 204 12.890 -6.029 -1.016 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.759 -6.088 -3.179 1.00 15.00 H new ATOM 0 HB3 LYS A 204 11.884 -7.403 -2.905 1.00 15.00 H new ATOM 0 HG2 LYS A 204 11.042 -7.665 -0.594 1.00 15.00 H new ATOM 0 HG3 LYS A 204 9.946 -6.318 -0.827 1.00 15.00 H new ATOM 0 HD2 LYS A 204 8.732 -8.413 -1.125 1.00 15.00 H new ATOM 0 HD3 LYS A 204 8.799 -7.556 -2.653 1.00 15.00 H new ATOM 0 HE2 LYS A 204 9.269 -9.914 -3.036 1.00 15.00 H new ATOM 0 HE3 LYS A 204 10.712 -8.977 -3.369 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 11.065 -11.037 -2.039 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 11.669 -9.625 -1.314 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.217 -10.310 -0.759 1.00 15.00 H new ATOM 562 N ALA A 205 13.039 -4.918 -4.138 1.00 15.00 N ATOM 563 CA ALA A 205 13.956 -4.606 -5.227 1.00 15.00 C ATOM 564 C ALA A 205 13.188 -4.052 -6.420 1.00 15.00 C ATOM 565 O ALA A 205 12.834 -2.859 -6.395 1.00 15.00 O ATOM 566 CB ALA A 205 14.753 -5.838 -5.638 1.00 15.00 C ATOM 567 OXT ALA A 205 12.934 -4.815 -7.377 1.00 15.00 O ATOM 0 H ALA A 205 12.053 -4.822 -4.382 1.00 15.00 H new ATOM 0 HA ALA A 205 14.657 -3.849 -4.876 1.00 15.00 H new ATOM 0 HB1 ALA A 205 15.430 -5.579 -6.452 1.00 15.00 H new ATOM 0 HB2 ALA A 205 15.331 -6.198 -4.787 1.00 15.00 H new ATOM 0 HB3 ALA A 205 14.069 -6.620 -5.970 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -4.518 -16.898 -3.098 1.00 15.00 N ATOM 575 CA GLY B 204 -3.657 -15.691 -3.069 1.00 15.00 C ATOM 576 C GLY B 204 -4.232 -14.603 -2.189 1.00 15.00 C ATOM 577 O GLY B 204 -4.850 -14.890 -1.162 1.00 15.00 O ATOM 0 HA2 GLY B 204 -2.665 -15.962 -2.708 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -3.534 -15.310 -4.083 1.00 15.00 H new ATOM 583 N GLU B 205 -4.049 -13.359 -2.602 1.00 15.00 N ATOM 584 CA GLU B 205 -4.544 -12.220 -1.845 1.00 15.00 C ATOM 585 C GLU B 205 -5.960 -11.867 -2.290 1.00 15.00 C ATOM 586 O GLU B 205 -6.328 -12.069 -3.451 1.00 15.00 O ATOM 587 CB GLU B 205 -3.633 -10.998 -2.025 1.00 15.00 C ATOM 588 CG GLU B 205 -2.162 -11.239 -1.699 1.00 15.00 C ATOM 589 CD GLU B 205 -1.957 -12.070 -0.447 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.119 -11.531 0.667 1.00 15.00 O ATOM 591 OE2 GLU B 205 -1.624 -13.269 -0.572 1.00 15.00 O1- ATOM 0 H GLU B 205 -3.559 -13.112 -3.462 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.551 -12.497 -0.791 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -3.710 -10.655 -3.057 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.003 -10.191 -1.392 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -1.687 -11.740 -2.542 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.661 -10.279 -1.576 1.00 15.00 H new ATOM 598 N SER B 206 -6.739 -11.327 -1.370 1.00 15.00 N ATOM 599 CA SER B 206 -8.093 -10.884 -1.663 1.00 15.00 C ATOM 600 C SER B 206 -8.047 -9.427 -2.115 1.00 15.00 C ATOM 601 O SER B 206 -7.180 -8.685 -1.667 1.00 15.00 O ATOM 602 CB SER B 206 -8.958 -11.036 -0.408 1.00 15.00 C ATOM 603 OG SER B 206 -8.351 -10.405 0.710 1.00 15.00 O ATOM 0 H SER B 206 -6.454 -11.183 -0.401 1.00 15.00 H new ATOM 0 HA SER B 206 -8.528 -11.489 -2.459 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.942 -10.601 -0.585 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.111 -12.094 -0.194 1.00 15.00 H new ATOM 0 HG SER B 206 -8.923 -10.515 1.498 1.00 15.00 H new ATOM 609 N PRO B 207 -8.988 -8.991 -2.981 1.00 15.00 N ATOM 610 CA PRO B 207 -8.930 -7.669 -3.629 1.00 15.00 C ATOM 611 C PRO B 207 -8.655 -6.548 -2.629 1.00 15.00 C ATOM 612 O PRO B 207 -9.298 -6.460 -1.581 1.00 15.00 O ATOM 613 CB PRO B 207 -10.325 -7.505 -4.256 1.00 15.00 C ATOM 614 CG PRO B 207 -11.146 -8.637 -3.730 1.00 15.00 C ATOM 615 CD PRO B 207 -10.181 -9.735 -3.393 1.00 15.00 C ATOM 0 HA PRO B 207 -8.120 -7.609 -4.356 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.764 -6.545 -3.985 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.270 -7.535 -5.344 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.711 -8.331 -2.849 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.870 -8.970 -4.473 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.557 -10.375 -2.594 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.982 -10.378 -4.250 1.00 15.00 H new ATOM 623 N PRO B 208 -7.690 -5.671 -2.956 1.00 15.00 N ATOM 624 CA PRO B 208 -7.084 -4.708 -2.043 1.00 15.00 C ATOM 625 C PRO B 208 -7.814 -3.354 -2.057 1.00 15.00 C ATOM 626 O PRO B 208 -8.797 -3.177 -2.782 1.00 15.00 O ATOM 627 CB PRO B 208 -5.644 -4.586 -2.635 1.00 15.00 C ATOM 628 CG PRO B 208 -5.659 -5.467 -3.854 1.00 15.00 C ATOM 629 CD PRO B 208 -7.083 -5.452 -4.254 1.00 15.00 C ATOM 0 HA PRO B 208 -7.117 -5.015 -0.998 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.408 -3.554 -2.895 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.891 -4.914 -1.918 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.014 -5.078 -4.642 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.313 -6.476 -3.628 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.383 -4.506 -4.704 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.327 -6.237 -4.970 1.00 15.00 H new ATOM 637 N PRO B 209 -7.330 -2.388 -1.255 1.00 15.00 N ATOM 638 CA PRO B 209 -7.929 -1.046 -1.108 1.00 15.00 C ATOM 639 C PRO B 209 -8.250 -0.331 -2.417 1.00 15.00 C ATOM 640 O PRO B 209 -7.498 -0.417 -3.395 1.00 15.00 O ATOM 641 CB PRO B 209 -6.816 -0.243 -0.421 1.00 15.00 C ATOM 642 CG PRO B 209 -5.621 -1.132 -0.386 1.00 15.00 C ATOM 643 CD PRO B 209 -6.163 -2.521 -0.386 1.00 15.00 C ATOM 0 HA PRO B 209 -8.879 -1.132 -0.581 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.603 0.674 -0.970 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.113 0.050 0.586 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.978 -0.961 -1.249 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.018 -0.945 0.503 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.443 -3.241 -0.776 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.435 -2.853 0.616 1.00 15.00 H new ATOM 651 N PRO B 210 -9.368 0.412 -2.422 1.00 15.00 N ATOM 652 CA PRO B 210 -9.687 1.358 -3.488 1.00 15.00 C ATOM 653 C PRO B 210 -8.727 2.545 -3.452 1.00 15.00 C ATOM 654 O PRO B 210 -8.389 3.050 -2.381 1.00 15.00 O ATOM 655 CB PRO B 210 -11.116 1.807 -3.160 1.00 15.00 C ATOM 656 CG PRO B 210 -11.266 1.571 -1.697 1.00 15.00 C ATOM 657 CD PRO B 210 -10.413 0.377 -1.381 1.00 15.00 C ATOM 0 HA PRO B 210 -9.600 0.923 -4.484 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.267 2.858 -3.408 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.850 1.237 -3.729 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.945 2.442 -1.126 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.308 1.386 -1.436 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -9.985 0.444 -0.381 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.988 -0.548 -1.421 1.00 15.00 H new ATOM 665 N TYR B 211 -8.313 3.004 -4.619 1.00 15.00 N ATOM 666 CA TYR B 211 -7.267 4.012 -4.718 1.00 15.00 C ATOM 667 C TYR B 211 -7.771 5.433 -4.425 1.00 15.00 C ATOM 668 O TYR B 211 -6.965 6.341 -4.236 1.00 15.00 O ATOM 669 CB TYR B 211 -6.573 3.964 -6.091 1.00 15.00 C ATOM 670 CG TYR B 211 -5.504 5.022 -6.232 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.237 4.816 -5.714 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.778 6.241 -6.837 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.271 5.793 -5.789 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.815 7.224 -6.922 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.564 6.996 -6.395 1.00 15.00 C ATOM 676 OH TYR B 211 -2.599 7.967 -6.476 1.00 15.00 O ATOM 0 H TYR B 211 -8.686 2.695 -5.517 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.540 3.766 -3.945 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.128 2.980 -6.236 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.317 4.096 -6.876 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -4.003 3.873 -5.243 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.760 6.422 -7.247 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.289 5.618 -5.375 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.041 8.166 -7.399 1.00 15.00 H new ATOM 0 HH TYR B 211 -2.964 8.754 -6.932 1.00 15.00 H new ATOM 686 N SER B 212 -9.082 5.623 -4.314 1.00 15.00 N ATOM 687 CA SER B 212 -9.664 6.953 -4.468 1.00 15.00 C ATOM 688 C SER B 212 -9.099 7.952 -3.454 1.00 15.00 C ATOM 689 O SER B 212 -8.474 8.933 -3.860 1.00 15.00 O ATOM 690 CB SER B 212 -11.184 6.869 -4.338 1.00 15.00 C ATOM 691 OG SER B 212 -11.723 5.991 -5.313 1.00 15.00 O ATOM 0 H SER B 212 -9.756 4.882 -4.120 1.00 15.00 H new ATOM 0 HA SER B 212 -9.399 7.318 -5.460 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.450 6.520 -3.340 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.619 7.861 -4.455 1.00 15.00 H new ATOM 0 HG SER B 212 -12.697 5.949 -5.213 1.00 15.00 H new ATOM 697 N ARG B 213 -9.322 7.757 -2.162 1.00 15.00 N ATOM 698 CA ARG B 213 -8.599 8.567 -1.189 1.00 15.00 C ATOM 699 C ARG B 213 -7.767 7.707 -0.253 1.00 15.00 C ATOM 700 O ARG B 213 -6.540 7.673 -0.344 1.00 15.00 O ATOM 701 CB ARG B 213 -9.563 9.427 -0.369 1.00 15.00 C ATOM 702 CG ARG B 213 -10.220 10.536 -1.169 1.00 15.00 C ATOM 703 CD ARG B 213 -9.187 11.484 -1.759 1.00 15.00 C ATOM 704 NE ARG B 213 -9.823 12.559 -2.515 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.381 13.017 -3.683 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.271 12.529 -4.221 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -10.051 13.975 -4.308 1.00 15.00 N ATOM 0 H ARG B 213 -9.971 7.073 -1.772 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.928 9.216 -1.751 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.338 8.787 0.053 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.021 9.867 0.469 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.818 10.103 -1.971 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.903 11.093 -0.528 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.581 11.909 -0.959 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.511 10.929 -2.410 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.661 12.987 -2.122 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.750 11.797 -3.739 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.939 12.886 -5.117 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.901 14.357 -3.893 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.717 14.330 -5.204 1.00 15.00 H new ATOM 721 N TYR B 214 -8.450 6.989 0.628 1.00 15.00 N ATOM 722 CA TYR B 214 -7.793 6.150 1.616 1.00 15.00 C ATOM 723 C TYR B 214 -8.218 4.697 1.462 1.00 15.00 C ATOM 724 O TYR B 214 -9.383 4.416 1.174 1.00 15.00 O ATOM 725 CB TYR B 214 -8.075 6.675 3.030 1.00 15.00 C ATOM 726 CG TYR B 214 -7.183 7.843 3.415 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.985 8.908 2.543 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.520 7.869 4.635 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.159 9.961 2.869 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.694 8.925 4.975 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.515 9.966 4.087 1.00 15.00 C ATOM 732 OH TYR B 214 -4.689 11.015 4.417 1.00 15.00 O ATOM 0 H TYR B 214 -9.469 6.973 0.677 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.716 6.192 1.451 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.118 6.984 3.096 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.936 5.866 3.747 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.490 8.910 1.589 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.651 7.052 5.329 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.017 10.776 2.175 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.192 8.935 5.931 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.313 10.867 5.310 1.00 15.00 H new ATOM 742 N PRO B 215 -7.284 3.761 1.679 1.00 15.00 N ATOM 743 CA PRO B 215 -7.541 2.324 1.537 1.00 15.00 C ATOM 744 C PRO B 215 -8.637 1.806 2.458 1.00 15.00 C ATOM 745 O PRO B 215 -9.677 1.334 2.000 1.00 15.00 O ATOM 746 CB PRO B 215 -6.207 1.679 1.921 1.00 15.00 C ATOM 747 CG PRO B 215 -5.197 2.742 1.718 1.00 15.00 C ATOM 748 CD PRO B 215 -5.887 4.032 2.052 1.00 15.00 C ATOM 0 HA PRO B 215 -7.887 2.093 0.529 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.217 1.336 2.956 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.995 0.809 1.299 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.330 2.585 2.360 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.836 2.747 0.690 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.791 4.280 3.109 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.473 4.869 1.490 1.00 15.00 H new ATOM 756 N MET B 216 -8.398 1.893 3.756 1.00 15.00 N ATOM 757 CA MET B 216 -9.305 1.310 4.724 1.00 15.00 C ATOM 758 C MET B 216 -9.287 2.094 6.026 1.00 15.00 C ATOM 759 O MET B 216 -8.222 2.358 6.593 1.00 15.00 O ATOM 760 CB MET B 216 -8.917 -0.147 4.991 1.00 15.00 C ATOM 761 CG MET B 216 -9.872 -0.883 5.923 1.00 15.00 C ATOM 762 SD MET B 216 -11.241 -1.694 5.059 1.00 15.00 S ATOM 763 CE MET B 216 -12.050 -0.316 4.249 1.00 15.00 C ATOM 0 H MET B 216 -7.586 2.360 4.160 1.00 15.00 H new ATOM 0 HA MET B 216 -10.314 1.348 4.313 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.870 -0.680 4.041 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.915 -0.173 5.420 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.314 -1.631 6.486 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.277 -0.176 6.647 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.071 -0.595 3.990 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.067 0.542 4.921 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.504 -0.055 3.342 1.00 15.00 H new ATOM 773 N ASP B 217 -10.465 2.469 6.485 1.00 15.00 N ATOM 774 CA ASP B 217 -10.620 3.089 7.787 1.00 15.00 C ATOM 775 C ASP B 217 -11.511 2.220 8.656 1.00 15.00 C ATOM 776 O ASP B 217 -11.123 1.920 9.802 1.00 15.00 O ATOM 777 CB ASP B 217 -11.206 4.494 7.671 1.00 15.00 C ATOM 778 CG ASP B 217 -11.463 5.112 9.033 1.00 15.00 C ATOM 779 OD1 ASP B 217 -10.490 5.346 9.779 1.00 15.00 O ATOM 780 OD2 ASP B 217 -12.640 5.364 9.366 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -12.580 1.797 8.166 1.00 15.00 O ATOM 0 H ASP B 217 -11.337 2.354 5.969 1.00 15.00 H new ATOM 0 HA ASP B 217 -9.635 3.180 8.244 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -10.521 5.128 7.108 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.139 4.453 7.108 1.00 15.00 H new TER 786 ASP B 217