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= 1.18 K(o=2,f=-6.4!) USER MOD Set 1.2: A 196 THR OG1 : rot 180:sc= -0.25 USER MOD Set 1.3: A 198 THR OG1 : rot 126:sc= 1.07 USER MOD Set 2.1: A 182 THR OG1 : rot 176:sc= -2.09! USER MOD Set 2.2: A 186 GLN : amide:sc= -0.729! C(o=-2.8!,f=-6.4!) USER MOD Single : A 179 MET CE :methyl 178:sc= -6.12! (180deg=-6.18!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.346 USER MOD Single : A 192 HIS : no HD1:sc= -0.063 K(o=-0.063,f=-5.2!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -3.96! C(o=-4!,f=-4.2!) USER MOD Single : A 204 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0.938) USER MOD Single : B 206 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.004 6.988 6.167 1.00 15.00 N ATOM 2 CA ASP A 170 11.489 7.006 4.765 1.00 15.00 C ATOM 3 C ASP A 170 12.040 5.645 4.349 1.00 15.00 C ATOM 4 O ASP A 170 11.754 5.157 3.254 1.00 15.00 O ATOM 5 CB ASP A 170 12.567 8.078 4.585 1.00 15.00 C ATOM 6 CG ASP A 170 13.217 8.016 3.219 1.00 15.00 C ATOM 7 OD1 ASP A 170 12.601 8.476 2.238 1.00 15.00 O ATOM 8 OD2 ASP A 170 14.358 7.514 3.120 1.00 15.00 O1- ATOM 0 HA ASP A 170 10.638 7.241 4.126 1.00 15.00 H new ATOM 0 HB2 ASP A 170 12.124 9.063 4.730 1.00 15.00 H new ATOM 0 HB3 ASP A 170 13.330 7.956 5.354 1.00 15.00 H new ATOM 15 N VAL A 171 12.849 5.038 5.211 1.00 15.00 N ATOM 16 CA VAL A 171 13.452 3.748 4.897 1.00 15.00 C ATOM 17 C VAL A 171 12.474 2.585 5.126 1.00 15.00 C ATOM 18 O VAL A 171 12.296 1.757 4.234 1.00 15.00 O ATOM 19 CB VAL A 171 14.746 3.512 5.708 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.347 2.147 5.397 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.754 4.620 5.436 1.00 15.00 C ATOM 0 H VAL A 171 13.101 5.415 6.125 1.00 15.00 H new ATOM 0 HA VAL A 171 13.705 3.778 3.837 1.00 15.00 H new ATOM 0 HB VAL A 171 14.490 3.530 6.767 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.256 2.008 5.982 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.629 1.367 5.651 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.586 2.088 4.335 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.659 4.438 6.015 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.999 4.636 4.374 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.326 5.580 5.724 1.00 15.00 H new ATOM 31 N PRO A 172 11.814 2.497 6.306 1.00 15.00 N ATOM 32 CA PRO A 172 10.800 1.468 6.553 1.00 15.00 C ATOM 33 C PRO A 172 9.500 1.758 5.813 1.00 15.00 C ATOM 34 O PRO A 172 8.751 0.842 5.470 1.00 15.00 O ATOM 35 CB PRO A 172 10.576 1.511 8.071 1.00 15.00 C ATOM 36 CG PRO A 172 11.654 2.388 8.614 1.00 15.00 C ATOM 37 CD PRO A 172 12.031 3.322 7.502 1.00 15.00 C ATOM 0 HA PRO A 172 11.126 0.491 6.198 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.590 1.909 8.310 1.00 15.00 H new ATOM 0 HB3 PRO A 172 10.630 0.512 8.503 1.00 15.00 H new ATOM 0 HG2 PRO A 172 11.304 2.941 9.486 1.00 15.00 H new ATOM 0 HG3 PRO A 172 12.512 1.797 8.935 1.00 15.00 H new ATOM 0 HD2 PRO A 172 11.409 4.217 7.496 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.066 3.653 7.584 1.00 15.00 H new ATOM 45 N LEU A 173 9.227 3.040 5.599 1.00 15.00 N ATOM 46 CA LEU A 173 8.059 3.470 4.841 1.00 15.00 C ATOM 47 C LEU A 173 8.464 4.565 3.851 1.00 15.00 C ATOM 48 O LEU A 173 8.772 5.686 4.261 1.00 15.00 O ATOM 49 CB LEU A 173 6.959 4.006 5.769 1.00 15.00 C ATOM 50 CG LEU A 173 6.454 3.048 6.860 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.410 3.744 7.719 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.870 1.775 6.260 1.00 15.00 C ATOM 0 H LEU A 173 9.805 3.806 5.944 1.00 15.00 H new ATOM 0 HA LEU A 173 7.666 2.606 4.305 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.331 4.909 6.253 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.109 4.302 5.155 1.00 15.00 H new ATOM 0 HG LEU A 173 7.306 2.766 7.479 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.057 3.059 8.490 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.852 4.622 8.189 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.571 4.051 7.095 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.523 1.121 7.060 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.032 2.030 5.611 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.636 1.262 5.679 1.00 15.00 H new ATOM 64 N PRO A 174 8.525 4.237 2.551 1.00 15.00 N ATOM 65 CA PRO A 174 8.855 5.204 1.487 1.00 15.00 C ATOM 66 C PRO A 174 7.863 6.370 1.416 1.00 15.00 C ATOM 67 O PRO A 174 6.702 6.240 1.815 1.00 15.00 O ATOM 68 CB PRO A 174 8.784 4.361 0.205 1.00 15.00 C ATOM 69 CG PRO A 174 8.961 2.957 0.661 1.00 15.00 C ATOM 70 CD PRO A 174 8.309 2.887 2.009 1.00 15.00 C ATOM 0 HA PRO A 174 9.824 5.673 1.656 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.829 4.494 -0.303 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.563 4.649 -0.501 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.499 2.257 -0.035 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.017 2.695 0.722 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.248 2.648 1.932 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.764 2.122 2.638 1.00 15.00 H new ATOM 78 N ALA A 175 8.316 7.497 0.876 1.00 15.00 N ATOM 79 CA ALA A 175 7.483 8.690 0.783 1.00 15.00 C ATOM 80 C ALA A 175 6.702 8.707 -0.528 1.00 15.00 C ATOM 81 O ALA A 175 7.229 8.347 -1.580 1.00 15.00 O ATOM 82 CB ALA A 175 8.335 9.944 0.909 1.00 15.00 C ATOM 0 H ALA A 175 9.256 7.609 0.496 1.00 15.00 H new ATOM 0 HA ALA A 175 6.768 8.670 1.605 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.698 10.825 0.837 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.845 9.942 1.872 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.074 9.964 0.108 1.00 15.00 H new ATOM 88 N GLY A 176 5.452 9.145 -0.456 1.00 15.00 N ATOM 89 CA GLY A 176 4.562 9.082 -1.603 1.00 15.00 C ATOM 90 C GLY A 176 3.850 7.747 -1.680 1.00 15.00 C ATOM 91 O GLY A 176 3.239 7.405 -2.697 1.00 15.00 O ATOM 0 H GLY A 176 5.034 9.546 0.383 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.827 9.884 -1.539 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.133 9.244 -2.517 1.00 15.00 H new ATOM 95 N TRP A 177 3.904 7.012 -0.581 1.00 15.00 N ATOM 96 CA TRP A 177 3.299 5.693 -0.495 1.00 15.00 C ATOM 97 C TRP A 177 2.323 5.637 0.675 1.00 15.00 C ATOM 98 O TRP A 177 2.585 6.198 1.742 1.00 15.00 O ATOM 99 CB TRP A 177 4.379 4.622 -0.311 1.00 15.00 C ATOM 100 CG TRP A 177 5.275 4.432 -1.501 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.283 5.253 -1.912 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.258 3.333 -2.419 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.881 4.746 -3.037 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.274 3.565 -3.367 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.483 2.179 -2.534 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.531 2.683 -4.413 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.742 1.303 -3.570 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.759 1.559 -4.497 1.00 15.00 C ATOM 0 H TRP A 177 4.368 7.313 0.276 1.00 15.00 H new ATOM 0 HA TRP A 177 2.760 5.501 -1.423 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.992 4.886 0.551 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.896 3.673 -0.080 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.570 6.172 -1.421 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.652 5.179 -3.545 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.694 1.974 -1.825 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.312 2.880 -5.132 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.150 0.405 -3.666 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.937 0.853 -5.295 1.00 15.00 H new ATOM 119 N GLU A 178 1.205 4.958 0.473 1.00 15.00 N ATOM 120 CA GLU A 178 0.220 4.765 1.525 1.00 15.00 C ATOM 121 C GLU A 178 0.508 3.446 2.239 1.00 15.00 C ATOM 122 O GLU A 178 0.406 2.380 1.634 1.00 15.00 O ATOM 123 CB GLU A 178 -1.191 4.752 0.929 1.00 15.00 C ATOM 124 CG GLU A 178 -2.299 4.823 1.967 1.00 15.00 C ATOM 125 CD GLU A 178 -2.346 6.161 2.675 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.871 7.128 2.086 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.848 6.252 3.814 1.00 15.00 O ATOM 0 H GLU A 178 0.956 4.528 -0.418 1.00 15.00 H new ATOM 0 HA GLU A 178 0.281 5.585 2.240 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.293 5.594 0.245 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.317 3.844 0.339 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.258 4.638 1.483 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.155 4.031 2.702 1.00 15.00 H new ATOM 134 N MET A 179 0.875 3.520 3.512 1.00 15.00 N ATOM 135 CA MET A 179 1.370 2.348 4.226 1.00 15.00 C ATOM 136 C MET A 179 0.381 1.886 5.286 1.00 15.00 C ATOM 137 O MET A 179 0.162 2.578 6.280 1.00 15.00 O ATOM 138 CB MET A 179 2.709 2.660 4.908 1.00 15.00 C ATOM 139 CG MET A 179 3.608 3.604 4.116 1.00 15.00 C ATOM 140 SD MET A 179 4.083 2.958 2.501 1.00 15.00 S ATOM 141 CE MET A 179 5.269 1.702 2.964 1.00 15.00 C ATOM 0 H MET A 179 0.840 4.373 4.069 1.00 15.00 H new ATOM 0 HA MET A 179 1.502 1.554 3.490 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.512 3.099 5.886 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.243 1.726 5.079 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.093 4.555 3.981 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.508 3.808 4.696 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.625 1.190 2.070 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.112 2.168 3.475 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.794 0.981 3.630 1.00 15.00 H new ATOM 151 N ALA A 180 -0.233 0.731 5.072 1.00 15.00 N ATOM 152 CA ALA A 180 -1.090 0.140 6.089 1.00 15.00 C ATOM 153 C ALA A 180 -1.084 -1.379 5.988 1.00 15.00 C ATOM 154 O ALA A 180 -0.900 -1.940 4.906 1.00 15.00 O ATOM 155 CB ALA A 180 -2.505 0.684 5.997 1.00 15.00 C ATOM 0 H ALA A 180 -0.155 0.189 4.212 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.690 0.416 7.065 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.122 0.225 6.769 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.489 1.764 6.140 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.920 0.454 5.016 1.00 15.00 H new ATOM 161 N LYS A 181 -1.273 -2.040 7.121 1.00 15.00 N ATOM 162 CA LYS A 181 -1.249 -3.494 7.180 1.00 15.00 C ATOM 163 C LYS A 181 -2.472 -3.998 7.945 1.00 15.00 C ATOM 164 O LYS A 181 -2.725 -3.560 9.066 1.00 15.00 O ATOM 165 CB LYS A 181 0.037 -3.965 7.871 1.00 15.00 C ATOM 166 CG LYS A 181 1.313 -3.490 7.186 1.00 15.00 C ATOM 167 CD LYS A 181 2.547 -3.839 8.003 1.00 15.00 C ATOM 168 CE LYS A 181 3.810 -3.271 7.375 1.00 15.00 C ATOM 169 NZ LYS A 181 5.001 -3.476 8.240 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.446 -1.588 8.019 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.273 -3.897 6.167 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.035 -3.610 8.902 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.040 -5.054 7.909 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.388 -3.945 6.199 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.267 -2.411 7.037 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.436 -3.450 9.015 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.636 -4.922 8.085 1.00 15.00 H new ATOM 0 HE2 LYS A 181 3.978 -3.744 6.408 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.675 -2.205 7.190 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.841 -3.075 7.776 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.852 -3.003 9.154 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.145 -4.494 8.396 1.00 15.00 H new ATOM 183 N THR A 182 -3.227 -4.911 7.345 1.00 15.00 N ATOM 184 CA THR A 182 -4.432 -5.429 7.985 1.00 15.00 C ATOM 185 C THR A 182 -4.111 -6.658 8.827 1.00 15.00 C ATOM 186 O THR A 182 -3.195 -7.422 8.502 1.00 15.00 O ATOM 187 CB THR A 182 -5.522 -5.804 6.956 1.00 15.00 C ATOM 188 OG1 THR A 182 -5.083 -6.896 6.142 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.860 -4.622 6.065 1.00 15.00 C ATOM 0 H THR A 182 -3.030 -5.305 6.425 1.00 15.00 H new ATOM 0 HA THR A 182 -4.813 -4.630 8.621 1.00 15.00 H new ATOM 0 HB THR A 182 -6.415 -6.096 7.510 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.808 -7.168 5.541 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.630 -4.913 5.350 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.227 -3.798 6.677 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.967 -4.305 5.527 1.00 15.00 H new ATOM 197 N SER A 183 -4.887 -6.854 9.890 1.00 15.00 N ATOM 198 CA SER A 183 -4.709 -7.989 10.788 1.00 15.00 C ATOM 199 C SER A 183 -5.029 -9.296 10.063 1.00 15.00 C ATOM 200 O SER A 183 -4.707 -10.387 10.533 1.00 15.00 O ATOM 201 CB SER A 183 -5.613 -7.823 12.012 1.00 15.00 C ATOM 202 OG SER A 183 -5.570 -6.488 12.497 1.00 15.00 O ATOM 0 H SER A 183 -5.653 -6.233 10.151 1.00 15.00 H new ATOM 0 HA SER A 183 -3.670 -8.025 11.115 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.638 -8.086 11.750 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.298 -8.510 12.798 1.00 15.00 H new ATOM 0 HG SER A 183 -6.156 -6.405 13.278 1.00 15.00 H new ATOM 208 N SER A 184 -5.682 -9.162 8.913 1.00 15.00 N ATOM 209 CA SER A 184 -5.961 -10.280 8.025 1.00 15.00 C ATOM 210 C SER A 184 -4.662 -10.845 7.448 1.00 15.00 C ATOM 211 O SER A 184 -4.642 -11.932 6.866 1.00 15.00 O ATOM 212 CB SER A 184 -6.884 -9.820 6.897 1.00 15.00 C ATOM 213 OG SER A 184 -7.970 -9.067 7.414 1.00 15.00 O ATOM 0 H SER A 184 -6.034 -8.268 8.571 1.00 15.00 H new ATOM 0 HA SER A 184 -6.453 -11.069 8.594 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.323 -9.216 6.184 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.261 -10.686 6.353 1.00 15.00 H new ATOM 0 HG SER A 184 -8.549 -8.780 6.677 1.00 15.00 H new ATOM 219 N GLY A 185 -3.586 -10.079 7.593 1.00 15.00 N ATOM 220 CA GLY A 185 -2.307 -10.463 7.040 1.00 15.00 C ATOM 221 C GLY A 185 -2.122 -9.941 5.634 1.00 15.00 C ATOM 222 O GLY A 185 -1.567 -10.622 4.774 1.00 15.00 O ATOM 0 H GLY A 185 -3.582 -9.189 8.091 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.508 -10.083 7.676 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.224 -11.550 7.038 1.00 15.00 H new ATOM 226 N GLN A 186 -2.585 -8.720 5.404 1.00 15.00 N ATOM 227 CA GLN A 186 -2.439 -8.079 4.106 1.00 15.00 C ATOM 228 C GLN A 186 -1.574 -6.836 4.226 1.00 15.00 C ATOM 229 O GLN A 186 -1.952 -5.870 4.890 1.00 15.00 O ATOM 230 CB GLN A 186 -3.802 -7.690 3.533 1.00 15.00 C ATOM 231 CG GLN A 186 -4.709 -8.868 3.230 1.00 15.00 C ATOM 232 CD GLN A 186 -6.152 -8.447 3.044 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.915 -8.377 4.005 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.536 -8.174 1.808 1.00 15.00 N ATOM 0 H GLN A 186 -3.066 -8.153 6.102 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.962 -8.792 3.433 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.306 -7.030 4.240 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.649 -7.119 2.617 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.360 -9.370 2.328 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.645 -9.592 4.043 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.869 -8.245 1.039 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.499 -7.892 1.624 1.00 15.00 H new ATOM 243 N ARG A 187 -0.406 -6.872 3.611 1.00 15.00 N ATOM 244 CA ARG A 187 0.436 -5.697 3.532 1.00 15.00 C ATOM 245 C ARG A 187 0.180 -4.994 2.199 1.00 15.00 C ATOM 246 O ARG A 187 0.473 -5.537 1.137 1.00 15.00 O ATOM 247 CB ARG A 187 1.922 -6.074 3.685 1.00 15.00 C ATOM 248 CG ARG A 187 2.475 -6.959 2.573 1.00 15.00 C ATOM 249 CD ARG A 187 3.899 -7.409 2.862 1.00 15.00 C ATOM 250 NE ARG A 187 4.811 -6.288 3.103 1.00 15.00 N ATOM 251 CZ ARG A 187 5.564 -6.172 4.198 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.476 -7.082 5.159 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.399 -5.147 4.335 1.00 15.00 N ATOM 0 H ARG A 187 -0.021 -7.702 3.160 1.00 15.00 H new ATOM 0 HA ARG A 187 0.191 -5.018 4.349 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.512 -5.158 3.729 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.056 -6.586 4.638 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.835 -7.833 2.453 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.451 -6.414 1.629 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.898 -8.064 3.733 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.267 -7.997 2.021 1.00 15.00 H new ATOM 0 HE ARG A 187 4.874 -5.556 2.395 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.834 -7.868 5.060 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.051 -6.996 5.997 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.467 -4.443 3.600 1.00 15.00 H new ATOM 0 HH22 ARG A 187 6.972 -5.065 5.175 1.00 15.00 H new ATOM 267 N TYR A 188 -0.424 -3.817 2.234 1.00 15.00 N ATOM 268 CA TYR A 188 -0.664 -3.094 1.005 1.00 15.00 C ATOM 269 C TYR A 188 -0.009 -1.733 1.055 1.00 15.00 C ATOM 270 O TYR A 188 0.051 -1.082 2.105 1.00 15.00 O ATOM 271 CB TYR A 188 -2.164 -2.978 0.692 1.00 15.00 C ATOM 272 CG TYR A 188 -2.993 -2.236 1.720 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.811 -0.878 1.949 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.975 -2.895 2.441 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.572 -0.200 2.873 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.748 -2.220 3.372 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.540 -0.876 3.585 1.00 15.00 C ATOM 278 OH TYR A 188 -5.306 -0.205 4.512 1.00 15.00 O ATOM 0 H TYR A 188 -0.749 -3.353 3.082 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.213 -3.664 0.192 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.278 -2.478 -0.270 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.572 -3.983 0.579 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.057 -0.344 1.390 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.140 -3.949 2.275 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.412 0.855 3.040 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.510 -2.746 3.928 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.941 -0.827 4.924 1.00 15.00 H new ATOM 288 N PHE A 189 0.486 -1.318 -0.082 1.00 15.00 N ATOM 289 CA PHE A 189 1.108 -0.030 -0.216 1.00 15.00 C ATOM 290 C PHE A 189 0.550 0.660 -1.453 1.00 15.00 C ATOM 291 O PHE A 189 0.592 0.109 -2.551 1.00 15.00 O ATOM 292 CB PHE A 189 2.628 -0.192 -0.324 1.00 15.00 C ATOM 293 CG PHE A 189 3.216 -1.093 0.730 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.312 -0.671 2.043 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.668 -2.364 0.407 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.849 -1.490 3.016 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.206 -3.190 1.375 1.00 15.00 C ATOM 298 CZ PHE A 189 4.297 -2.751 2.683 1.00 15.00 C ATOM 0 H PHE A 189 0.468 -1.866 -0.942 1.00 15.00 H new ATOM 0 HA PHE A 189 0.894 0.580 0.662 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.873 -0.591 -1.308 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.095 0.790 -0.252 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.961 0.315 2.312 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.599 -2.712 -0.613 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.918 -1.144 4.037 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.555 -4.177 1.110 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.718 -3.394 3.442 1.00 15.00 H new ATOM 308 N LEU A 190 0.004 1.846 -1.273 1.00 15.00 N ATOM 309 CA LEU A 190 -0.493 2.619 -2.400 1.00 15.00 C ATOM 310 C LEU A 190 0.595 3.509 -2.963 1.00 15.00 C ATOM 311 O LEU A 190 1.302 4.167 -2.206 1.00 15.00 O ATOM 312 CB LEU A 190 -1.638 3.546 -2.002 1.00 15.00 C ATOM 313 CG LEU A 190 -3.061 3.019 -2.101 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.978 4.207 -2.355 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.203 1.994 -3.218 1.00 15.00 C ATOM 0 H LEU A 190 -0.108 2.296 -0.364 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.835 1.887 -3.132 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.470 3.858 -0.971 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.571 4.441 -2.621 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.328 2.514 -1.172 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.009 3.861 -2.431 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.893 4.915 -1.531 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.690 4.697 -3.285 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.233 1.640 -3.258 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.940 2.455 -4.170 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.537 1.152 -3.026 1.00 15.00 H new ATOM 327 N ASN A 191 0.707 3.579 -4.275 1.00 15.00 N ATOM 328 CA ASN A 191 1.485 4.632 -4.870 1.00 15.00 C ATOM 329 C ASN A 191 0.548 5.796 -5.106 1.00 15.00 C ATOM 330 O ASN A 191 -0.224 5.775 -6.069 1.00 15.00 O ATOM 331 CB ASN A 191 2.113 4.226 -6.208 1.00 15.00 C ATOM 332 CG ASN A 191 2.901 2.929 -6.171 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.545 1.980 -5.475 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.976 2.882 -6.938 1.00 15.00 N ATOM 0 H ASN A 191 0.276 2.930 -4.933 1.00 15.00 H new ATOM 0 HA ASN A 191 2.306 4.881 -4.197 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.322 4.134 -6.952 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.773 5.027 -6.542 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.545 2.036 -6.968 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.237 3.692 -7.501 1.00 15.00 H new ATOM 341 N HIS A 192 0.564 6.776 -4.202 1.00 15.00 N ATOM 342 CA HIS A 192 -0.290 7.956 -4.349 1.00 15.00 C ATOM 343 C HIS A 192 0.162 8.764 -5.562 1.00 15.00 C ATOM 344 O HIS A 192 -0.552 9.633 -6.054 1.00 15.00 O ATOM 345 CB HIS A 192 -0.270 8.840 -3.093 1.00 15.00 C ATOM 346 CG HIS A 192 -1.371 8.555 -2.104 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.626 9.130 -2.173 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.387 7.777 -0.994 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.357 8.721 -1.155 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.633 7.901 -0.421 1.00 15.00 N ATOM 0 H HIS A 192 1.152 6.778 -3.369 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.315 7.613 -4.490 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.690 8.715 -2.593 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.337 9.884 -3.399 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.572 7.171 -0.626 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.378 9.010 -0.956 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.944 7.435 0.431 1.00 15.00 H new ATOM 359 N ILE A 193 1.366 8.460 -6.027 1.00 15.00 N ATOM 360 CA ILE A 193 1.948 9.124 -7.181 1.00 15.00 C ATOM 361 C ILE A 193 1.582 8.387 -8.469 1.00 15.00 C ATOM 362 O ILE A 193 1.254 9.005 -9.480 1.00 15.00 O ATOM 363 CB ILE A 193 3.487 9.175 -7.060 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.898 9.695 -5.679 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.079 10.046 -8.158 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.383 9.587 -5.408 1.00 15.00 C ATOM 0 H ILE A 193 1.965 7.746 -5.613 1.00 15.00 H new ATOM 0 HA ILE A 193 1.549 10.138 -7.214 1.00 15.00 H new ATOM 0 HB ILE A 193 3.877 8.164 -7.177 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.596 10.738 -5.588 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.356 9.138 -4.914 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.164 10.071 -8.058 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.814 9.634 -9.132 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.684 11.058 -8.072 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.600 9.974 -4.412 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.688 8.542 -5.466 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.931 10.167 -6.150 1.00 15.00 H new ATOM 378 N ASP A 194 1.632 7.059 -8.417 1.00 15.00 N ATOM 379 CA ASP A 194 1.431 6.239 -9.610 1.00 15.00 C ATOM 380 C ASP A 194 -0.023 5.810 -9.761 1.00 15.00 C ATOM 381 O ASP A 194 -0.413 5.320 -10.824 1.00 15.00 O ATOM 382 CB ASP A 194 2.325 4.996 -9.578 1.00 15.00 C ATOM 383 CG ASP A 194 3.799 5.325 -9.452 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.442 5.619 -10.480 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.326 5.273 -8.323 1.00 15.00 O1- ATOM 0 H ASP A 194 1.809 6.528 -7.564 1.00 15.00 H new ATOM 0 HA ASP A 194 1.702 6.857 -10.466 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.028 4.364 -8.741 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.165 4.417 -10.488 1.00 15.00 H new ATOM 390 N GLN A 195 -0.807 5.956 -8.685 1.00 15.00 N ATOM 391 CA GLN A 195 -2.227 5.581 -8.690 1.00 15.00 C ATOM 392 C GLN A 195 -2.356 4.058 -8.760 1.00 15.00 C ATOM 393 O GLN A 195 -3.318 3.512 -9.297 1.00 15.00 O ATOM 394 CB GLN A 195 -2.939 6.269 -9.875 1.00 15.00 C ATOM 395 CG GLN A 195 -4.446 6.068 -9.927 1.00 15.00 C ATOM 396 CD GLN A 195 -5.088 6.763 -11.113 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.467 6.929 -12.165 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.338 7.169 -10.952 1.00 15.00 N ATOM 0 H GLN A 195 -0.480 6.333 -7.796 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.706 5.916 -7.770 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.732 7.338 -9.832 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.506 5.898 -10.804 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.665 5.001 -9.974 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.891 6.444 -9.006 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.815 7.011 -10.064 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.824 7.639 -11.716 1.00 15.00 H new ATOM 407 N THR A 196 -1.407 3.373 -8.148 1.00 15.00 N ATOM 408 CA THR A 196 -1.375 1.920 -8.220 1.00 15.00 C ATOM 409 C THR A 196 -1.485 1.276 -6.844 1.00 15.00 C ATOM 410 O THR A 196 -1.033 1.838 -5.842 1.00 15.00 O ATOM 411 CB THR A 196 -0.089 1.428 -8.915 1.00 15.00 C ATOM 412 OG1 THR A 196 1.047 2.105 -8.373 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.150 1.661 -10.417 1.00 15.00 C ATOM 0 H THR A 196 -0.655 3.792 -7.601 1.00 15.00 H new ATOM 0 HA THR A 196 -2.242 1.619 -8.809 1.00 15.00 H new ATOM 0 HB THR A 196 0.001 0.356 -8.737 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.860 1.787 -8.817 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.771 1.304 -10.878 1.00 15.00 H new ATOM 0 HG22 THR A 196 -0.999 1.120 -10.835 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.266 2.727 -10.616 1.00 15.00 H new ATOM 421 N THR A 197 -2.105 0.102 -6.806 1.00 15.00 N ATOM 422 CA THR A 197 -2.224 -0.673 -5.584 1.00 15.00 C ATOM 423 C THR A 197 -1.148 -1.757 -5.551 1.00 15.00 C ATOM 424 O THR A 197 -1.154 -2.677 -6.368 1.00 15.00 O ATOM 425 CB THR A 197 -3.619 -1.320 -5.477 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.635 -0.336 -5.728 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.831 -1.919 -4.093 1.00 15.00 C ATOM 0 H THR A 197 -2.537 -0.335 -7.620 1.00 15.00 H new ATOM 0 HA THR A 197 -2.090 -0.001 -4.737 1.00 15.00 H new ATOM 0 HB THR A 197 -3.684 -2.115 -6.220 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.519 -0.754 -5.660 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.822 -2.370 -4.040 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.075 -2.681 -3.907 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.749 -1.135 -3.341 1.00 15.00 H new ATOM 435 N THR A 198 -0.228 -1.634 -4.613 1.00 15.00 N ATOM 436 CA THR A 198 0.935 -2.501 -4.553 1.00 15.00 C ATOM 437 C THR A 198 0.847 -3.491 -3.378 1.00 15.00 C ATOM 438 O THR A 198 0.820 -3.079 -2.222 1.00 15.00 O ATOM 439 CB THR A 198 2.203 -1.627 -4.421 1.00 15.00 C ATOM 440 OG1 THR A 198 2.311 -0.759 -5.559 1.00 15.00 O ATOM 441 CG2 THR A 198 3.461 -2.464 -4.301 1.00 15.00 C ATOM 0 H THR A 198 -0.265 -0.933 -3.873 1.00 15.00 H new ATOM 0 HA THR A 198 0.978 -3.090 -5.469 1.00 15.00 H new ATOM 0 HB THR A 198 2.106 -1.041 -3.507 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.397 0.169 -5.256 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.327 -1.808 -4.210 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.393 -3.099 -3.418 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.569 -3.088 -5.188 1.00 15.00 H new ATOM 449 N TRP A 199 0.774 -4.794 -3.676 1.00 15.00 N ATOM 450 CA TRP A 199 0.816 -5.823 -2.631 1.00 15.00 C ATOM 451 C TRP A 199 2.249 -6.048 -2.145 1.00 15.00 C ATOM 452 O TRP A 199 2.487 -6.331 -0.973 1.00 15.00 O ATOM 453 CB TRP A 199 0.299 -7.174 -3.138 1.00 15.00 C ATOM 454 CG TRP A 199 -1.191 -7.400 -3.122 1.00 15.00 C ATOM 455 CD1 TRP A 199 -1.929 -7.894 -4.156 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.121 -7.197 -2.041 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.238 -8.015 -3.804 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.381 -7.617 -2.512 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.035 -6.713 -0.727 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.509 -7.591 -1.730 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.197 -6.662 0.035 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.415 -7.121 -0.489 1.00 15.00 C ATOM 0 H TRP A 199 0.686 -5.158 -4.625 1.00 15.00 H new ATOM 0 HA TRP A 199 0.181 -5.459 -1.824 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.648 -7.305 -4.162 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.764 -7.958 -2.540 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.529 -8.154 -5.125 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -3.988 -8.349 -4.409 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.090 -6.388 -0.318 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.454 -7.945 -2.115 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.162 -6.266 1.039 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.299 -7.092 0.131 1.00 15.00 H new ATOM 473 N GLN A 200 3.199 -5.962 -3.068 1.00 15.00 N ATOM 474 CA GLN A 200 4.571 -6.361 -2.782 1.00 15.00 C ATOM 475 C GLN A 200 5.394 -5.200 -2.238 1.00 15.00 C ATOM 476 O GLN A 200 5.399 -4.109 -2.798 1.00 15.00 O ATOM 477 CB GLN A 200 5.244 -6.977 -4.026 1.00 15.00 C ATOM 478 CG GLN A 200 5.375 -6.052 -5.237 1.00 15.00 C ATOM 479 CD GLN A 200 4.065 -5.817 -5.973 1.00 15.00 C ATOM 480 OE1 GLN A 200 3.158 -6.650 -5.944 1.00 15.00 O ATOM 481 NE2 GLN A 200 3.966 -4.694 -6.666 1.00 15.00 N ATOM 0 H GLN A 200 3.046 -5.621 -4.017 1.00 15.00 H new ATOM 0 HA GLN A 200 4.529 -7.126 -2.006 1.00 15.00 H new ATOM 0 HB2 GLN A 200 6.240 -7.320 -3.745 1.00 15.00 H new ATOM 0 HB3 GLN A 200 4.676 -7.858 -4.325 1.00 15.00 H new ATOM 0 HG2 GLN A 200 5.774 -5.092 -4.908 1.00 15.00 H new ATOM 0 HG3 GLN A 200 6.100 -6.477 -5.931 1.00 15.00 H new ATOM 0 HE21 GLN A 200 4.737 -4.026 -6.668 1.00 15.00 H new ATOM 0 HE22 GLN A 200 3.119 -4.496 -7.198 1.00 15.00 H new ATOM 490 N ASP A 201 6.102 -5.472 -1.149 1.00 15.00 N ATOM 491 CA ASP A 201 6.912 -4.470 -0.457 1.00 15.00 C ATOM 492 C ASP A 201 7.913 -3.802 -1.405 1.00 15.00 C ATOM 493 O ASP A 201 8.854 -4.440 -1.880 1.00 15.00 O ATOM 494 CB ASP A 201 7.642 -5.138 0.713 1.00 15.00 C ATOM 495 CG ASP A 201 8.413 -4.161 1.570 1.00 15.00 C ATOM 496 OD1 ASP A 201 7.819 -3.588 2.509 1.00 15.00 O ATOM 497 OD2 ASP A 201 9.623 -3.983 1.333 1.00 15.00 O1- ATOM 0 H ASP A 201 6.133 -6.396 -0.717 1.00 15.00 H new ATOM 0 HA ASP A 201 6.253 -3.687 -0.081 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.916 -5.662 1.334 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.328 -5.889 0.323 1.00 15.00 H new ATOM 502 N PRO A 202 7.708 -2.499 -1.699 1.00 15.00 N ATOM 503 CA PRO A 202 8.535 -1.744 -2.655 1.00 15.00 C ATOM 504 C PRO A 202 9.998 -1.627 -2.240 1.00 15.00 C ATOM 505 O PRO A 202 10.848 -1.236 -3.037 1.00 15.00 O ATOM 506 CB PRO A 202 7.891 -0.354 -2.696 1.00 15.00 C ATOM 507 CG PRO A 202 7.048 -0.261 -1.471 1.00 15.00 C ATOM 508 CD PRO A 202 6.628 -1.667 -1.140 1.00 15.00 C ATOM 0 HA PRO A 202 8.559 -2.252 -3.619 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.650 0.428 -2.709 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.289 -0.228 -3.596 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.607 0.182 -0.647 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.179 0.374 -1.644 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.528 -1.812 -0.064 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.664 -1.912 -1.585 1.00 15.00 H new ATOM 516 N ARG A 203 10.288 -1.928 -0.984 1.00 15.00 N ATOM 517 CA ARG A 203 11.650 -1.846 -0.485 1.00 15.00 C ATOM 518 C ARG A 203 12.446 -3.070 -0.921 1.00 15.00 C ATOM 519 O ARG A 203 13.673 -3.094 -0.825 1.00 15.00 O ATOM 520 CB ARG A 203 11.656 -1.728 1.037 1.00 15.00 C ATOM 521 CG ARG A 203 10.862 -0.544 1.560 1.00 15.00 C ATOM 522 CD ARG A 203 10.678 -0.631 3.063 1.00 15.00 C ATOM 523 NE ARG A 203 9.997 -1.861 3.451 1.00 15.00 N ATOM 524 CZ ARG A 203 10.340 -2.608 4.491 1.00 15.00 C ATOM 525 NH1 ARG A 203 11.377 -2.277 5.245 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 9.657 -3.709 4.758 1.00 15.00 N ATOM 0 H ARG A 203 9.600 -2.230 -0.294 1.00 15.00 H new ATOM 0 HA ARG A 203 12.118 -0.955 -0.903 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.250 -2.644 1.465 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.687 -1.644 1.382 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.376 0.383 1.307 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.888 -0.512 1.072 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.651 -0.583 3.552 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.104 0.228 3.410 1.00 15.00 H new ATOM 0 HE ARG A 203 9.205 -2.166 2.885 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.919 -1.441 5.028 1.00 15.00 H new ATOM 0 HH12 ARG A 203 11.633 -2.858 6.043 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.872 -3.978 4.165 1.00 15.00 H new ATOM 0 HH22 ARG A 203 9.916 -4.288 5.557 1.00 15.00 H new ATOM 540 N LYS A 204 11.734 -4.095 -1.376 1.00 15.00 N ATOM 541 CA LYS A 204 12.370 -5.318 -1.839 1.00 15.00 C ATOM 542 C LYS A 204 12.604 -5.264 -3.343 1.00 15.00 C ATOM 543 O LYS A 204 13.435 -5.998 -3.882 1.00 15.00 O ATOM 544 CB LYS A 204 11.507 -6.537 -1.500 1.00 15.00 C ATOM 545 CG LYS A 204 11.103 -6.616 -0.037 1.00 15.00 C ATOM 546 CD LYS A 204 12.306 -6.803 0.870 1.00 15.00 C ATOM 547 CE LYS A 204 11.903 -6.742 2.335 1.00 15.00 C ATOM 548 NZ LYS A 204 11.456 -5.380 2.738 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.716 -4.101 -1.433 1.00 15.00 H new ATOM 0 HA LYS A 204 13.330 -5.409 -1.331 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.607 -6.516 -2.115 1.00 15.00 H new ATOM 0 HB3 LYS A 204 12.053 -7.442 -1.766 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.574 -5.705 0.244 1.00 15.00 H new ATOM 0 HG3 LYS A 204 10.409 -7.444 0.104 1.00 15.00 H new ATOM 0 HD2 LYS A 204 12.778 -7.763 0.659 1.00 15.00 H new ATOM 0 HD3 LYS A 204 13.046 -6.031 0.661 1.00 15.00 H new ATOM 0 HE2 LYS A 204 11.100 -7.456 2.519 1.00 15.00 H new ATOM 0 HE3 LYS A 204 12.747 -7.044 2.955 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 11.354 -5.340 3.772 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 12.161 -4.679 2.433 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 10.541 -5.169 2.291 1.00 15.00 H new ATOM 562 N ALA A 205 11.854 -4.403 -4.018 1.00 15.00 N ATOM 563 CA ALA A 205 11.929 -4.294 -5.465 1.00 15.00 C ATOM 564 C ALA A 205 11.477 -2.914 -5.922 1.00 15.00 C ATOM 565 O ALA A 205 10.253 -2.688 -6.015 1.00 15.00 O ATOM 566 CB ALA A 205 11.081 -5.373 -6.122 1.00 15.00 C ATOM 567 OXT ALA A 205 12.349 -2.063 -6.191 1.00 15.00 O ATOM 0 H ALA A 205 11.185 -3.768 -3.582 1.00 15.00 H new ATOM 0 HA ALA A 205 12.967 -4.434 -5.767 1.00 15.00 H new ATOM 0 HB1 ALA A 205 11.147 -5.278 -7.206 1.00 15.00 H new ATOM 0 HB2 ALA A 205 11.445 -6.355 -5.821 1.00 15.00 H new ATOM 0 HB3 ALA A 205 10.043 -5.259 -5.811 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.185 -15.791 -3.051 1.00 15.00 N ATOM 575 CA GLY B 204 -3.664 -15.782 -3.169 1.00 15.00 C ATOM 576 C GLY B 204 -4.266 -14.664 -2.355 1.00 15.00 C ATOM 577 O GLY B 204 -4.642 -14.850 -1.196 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.948 -15.668 -4.215 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.065 -16.738 -2.832 1.00 15.00 H new ATOM 583 N GLU B 205 -4.350 -13.496 -2.966 1.00 15.00 N ATOM 584 CA GLU B 205 -4.754 -12.293 -2.268 1.00 15.00 C ATOM 585 C GLU B 205 -6.250 -12.081 -2.437 1.00 15.00 C ATOM 586 O GLU B 205 -6.828 -12.445 -3.464 1.00 15.00 O ATOM 587 CB GLU B 205 -4.059 -11.032 -2.821 1.00 15.00 C ATOM 588 CG GLU B 205 -2.526 -11.049 -3.011 1.00 15.00 C ATOM 589 CD GLU B 205 -1.940 -12.358 -3.505 1.00 15.00 C ATOM 590 OE1 GLU B 205 -1.977 -12.604 -4.728 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.456 -13.158 -2.673 1.00 15.00 O ATOM 0 H GLU B 205 -4.141 -13.357 -3.955 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.475 -12.432 -1.224 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.509 -10.805 -3.788 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.300 -10.204 -2.155 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.257 -10.262 -3.716 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.057 -10.798 -2.059 1.00 15.00 H new ATOM 598 N SER B 206 -6.858 -11.463 -1.444 1.00 15.00 N ATOM 599 CA SER B 206 -8.200 -10.935 -1.585 1.00 15.00 C ATOM 600 C SER B 206 -8.075 -9.501 -2.085 1.00 15.00 C ATOM 601 O SER B 206 -7.155 -8.800 -1.667 1.00 15.00 O ATOM 602 CB SER B 206 -8.918 -10.973 -0.234 1.00 15.00 C ATOM 603 OG SER B 206 -8.859 -12.270 0.338 1.00 15.00 O ATOM 0 H SER B 206 -6.441 -11.314 -0.525 1.00 15.00 H new ATOM 0 HA SER B 206 -8.782 -11.531 -2.289 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.462 -10.252 0.444 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.959 -10.676 -0.363 1.00 15.00 H new ATOM 0 HG SER B 206 -9.323 -12.268 1.201 1.00 15.00 H new ATOM 609 N PRO B 207 -8.988 -9.039 -2.962 1.00 15.00 N ATOM 610 CA PRO B 207 -8.881 -7.714 -3.599 1.00 15.00 C ATOM 611 C PRO B 207 -8.594 -6.619 -2.579 1.00 15.00 C ATOM 612 O PRO B 207 -9.245 -6.551 -1.534 1.00 15.00 O ATOM 613 CB PRO B 207 -10.261 -7.522 -4.224 1.00 15.00 C ATOM 614 CG PRO B 207 -10.741 -8.902 -4.504 1.00 15.00 C ATOM 615 CD PRO B 207 -10.200 -9.762 -3.394 1.00 15.00 C ATOM 0 HA PRO B 207 -8.063 -7.657 -4.317 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.934 -6.998 -3.545 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.204 -6.929 -5.137 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.830 -8.939 -4.531 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.387 -9.249 -5.475 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.917 -9.866 -2.580 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.965 -10.768 -3.743 1.00 15.00 H new ATOM 623 N PRO B 208 -7.632 -5.725 -2.868 1.00 15.00 N ATOM 624 CA PRO B 208 -7.058 -4.810 -1.900 1.00 15.00 C ATOM 625 C PRO B 208 -7.832 -3.488 -1.887 1.00 15.00 C ATOM 626 O PRO B 208 -8.807 -3.335 -2.621 1.00 15.00 O ATOM 627 CB PRO B 208 -5.612 -4.624 -2.460 1.00 15.00 C ATOM 628 CG PRO B 208 -5.612 -5.362 -3.774 1.00 15.00 C ATOM 629 CD PRO B 208 -7.046 -5.394 -4.156 1.00 15.00 C ATOM 0 HA PRO B 208 -7.083 -5.166 -0.870 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.374 -3.569 -2.598 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.867 -5.032 -1.777 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.009 -4.848 -4.523 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.202 -6.367 -3.670 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.398 -4.437 -4.542 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.260 -6.144 -4.918 1.00 15.00 H new ATOM 637 N PRO B 209 -7.422 -2.535 -1.042 1.00 15.00 N ATOM 638 CA PRO B 209 -8.039 -1.210 -0.974 1.00 15.00 C ATOM 639 C PRO B 209 -8.215 -0.539 -2.332 1.00 15.00 C ATOM 640 O PRO B 209 -7.314 -0.572 -3.177 1.00 15.00 O ATOM 641 CB PRO B 209 -7.033 -0.380 -0.192 1.00 15.00 C ATOM 642 CG PRO B 209 -6.111 -1.326 0.488 1.00 15.00 C ATOM 643 CD PRO B 209 -6.370 -2.706 -0.038 1.00 15.00 C ATOM 0 HA PRO B 209 -9.035 -1.293 -0.539 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.481 0.282 -0.859 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.540 0.252 0.537 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.075 -1.040 0.307 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.266 -1.297 1.566 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.470 -3.137 -0.478 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.689 -3.379 0.758 1.00 15.00 H new ATOM 651 N PRO B 210 -9.376 0.097 -2.540 1.00 15.00 N ATOM 652 CA PRO B 210 -9.587 0.980 -3.681 1.00 15.00 C ATOM 653 C PRO B 210 -8.687 2.208 -3.574 1.00 15.00 C ATOM 654 O PRO B 210 -8.610 2.840 -2.522 1.00 15.00 O ATOM 655 CB PRO B 210 -11.066 1.377 -3.572 1.00 15.00 C ATOM 656 CG PRO B 210 -11.426 1.144 -2.146 1.00 15.00 C ATOM 657 CD PRO B 210 -10.567 0.002 -1.680 1.00 15.00 C ATOM 0 HA PRO B 210 -9.351 0.508 -4.634 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.216 2.420 -3.851 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.686 0.777 -4.238 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.245 2.037 -1.548 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.484 0.902 -2.046 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.309 0.097 -0.625 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.073 -0.956 -1.799 1.00 15.00 H new ATOM 665 N TYR B 211 -8.018 2.544 -4.665 1.00 15.00 N ATOM 666 CA TYR B 211 -7.012 3.602 -4.662 1.00 15.00 C ATOM 667 C TYR B 211 -7.599 5.004 -4.416 1.00 15.00 C ATOM 668 O TYR B 211 -6.848 5.938 -4.139 1.00 15.00 O ATOM 669 CB TYR B 211 -6.204 3.595 -5.979 1.00 15.00 C ATOM 670 CG TYR B 211 -5.332 4.823 -6.134 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.074 4.878 -5.555 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.795 5.953 -6.804 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.304 6.017 -5.632 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.024 7.094 -6.893 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.781 7.123 -6.302 1.00 15.00 C ATOM 676 OH TYR B 211 -3.017 8.265 -6.375 1.00 15.00 O ATOM 0 H TYR B 211 -8.153 2.097 -5.572 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.351 3.383 -3.823 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.578 2.703 -6.012 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.892 3.533 -6.822 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.691 4.013 -5.034 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.773 5.936 -7.261 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.329 6.044 -5.169 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.394 7.959 -7.423 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.500 8.950 -6.883 1.00 15.00 H new ATOM 686 N SER B 212 -8.922 5.151 -4.428 1.00 15.00 N ATOM 687 CA SER B 212 -9.523 6.449 -4.739 1.00 15.00 C ATOM 688 C SER B 212 -9.061 7.532 -3.762 1.00 15.00 C ATOM 689 O SER B 212 -8.466 8.520 -4.197 1.00 15.00 O ATOM 690 CB SER B 212 -11.052 6.344 -4.748 1.00 15.00 C ATOM 691 OG SER B 212 -11.649 7.489 -5.342 1.00 15.00 O ATOM 0 H SER B 212 -9.588 4.405 -4.230 1.00 15.00 H new ATOM 0 HA SER B 212 -9.187 6.740 -5.734 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.353 5.450 -5.295 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.416 6.231 -3.727 1.00 15.00 H new ATOM 0 HG SER B 212 -12.624 7.391 -5.334 1.00 15.00 H new ATOM 697 N ARG B 213 -9.324 7.406 -2.471 1.00 15.00 N ATOM 698 CA ARG B 213 -8.629 8.278 -1.534 1.00 15.00 C ATOM 699 C ARG B 213 -7.817 7.475 -0.536 1.00 15.00 C ATOM 700 O ARG B 213 -6.587 7.450 -0.578 1.00 15.00 O ATOM 701 CB ARG B 213 -9.616 9.151 -0.760 1.00 15.00 C ATOM 702 CG ARG B 213 -9.137 10.579 -0.547 1.00 15.00 C ATOM 703 CD ARG B 213 -9.081 11.343 -1.861 1.00 15.00 C ATOM 704 NE ARG B 213 -10.383 11.361 -2.533 1.00 15.00 N ATOM 705 CZ ARG B 213 -10.908 12.430 -3.125 1.00 15.00 C ATOM 706 NH1 ARG B 213 -10.240 13.578 -3.162 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -12.102 12.343 -3.695 1.00 15.00 N ATOM 0 H ARG B 213 -9.981 6.742 -2.060 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.964 8.908 -2.124 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.565 9.172 -1.295 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.808 8.693 0.211 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.806 11.090 0.145 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.149 10.569 -0.087 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.754 12.366 -1.674 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.339 10.886 -2.516 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.923 10.496 -2.548 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.316 13.645 -2.734 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.651 14.393 -3.618 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.612 11.460 -3.678 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.510 13.159 -4.151 1.00 15.00 H new ATOM 721 N TYR B 214 -8.532 6.813 0.358 1.00 15.00 N ATOM 722 CA TYR B 214 -7.911 6.074 1.437 1.00 15.00 C ATOM 723 C TYR B 214 -8.285 4.603 1.400 1.00 15.00 C ATOM 724 O TYR B 214 -9.449 4.258 1.193 1.00 15.00 O ATOM 725 CB TYR B 214 -8.268 6.728 2.772 1.00 15.00 C ATOM 726 CG TYR B 214 -7.435 7.968 3.029 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.462 9.049 2.147 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.585 8.037 4.124 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.665 10.159 2.356 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.793 9.149 4.344 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.834 10.204 3.458 1.00 15.00 C ATOM 732 OH TYR B 214 -5.037 11.306 3.668 1.00 15.00 O ATOM 0 H TYR B 214 -9.551 6.774 0.355 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.829 6.111 1.314 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.325 6.993 2.776 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.115 6.013 3.580 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -8.116 9.018 1.288 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.541 7.209 4.816 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.692 10.986 1.662 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.145 9.191 5.207 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.514 11.180 4.487 1.00 15.00 H new ATOM 742 N PRO B 215 -7.302 3.723 1.617 1.00 15.00 N ATOM 743 CA PRO B 215 -7.522 2.274 1.666 1.00 15.00 C ATOM 744 C PRO B 215 -8.499 1.866 2.759 1.00 15.00 C ATOM 745 O PRO B 215 -9.629 1.461 2.486 1.00 15.00 O ATOM 746 CB PRO B 215 -6.134 1.721 1.986 1.00 15.00 C ATOM 747 CG PRO B 215 -5.194 2.767 1.526 1.00 15.00 C ATOM 748 CD PRO B 215 -5.884 4.069 1.804 1.00 15.00 C ATOM 0 HA PRO B 215 -7.954 1.902 0.737 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.021 1.529 3.053 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.957 0.776 1.472 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.244 2.704 2.057 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.973 2.658 0.464 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.683 4.427 2.814 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.563 4.853 1.118 1.00 15.00 H new ATOM 756 N MET B 216 -8.059 1.993 3.999 1.00 15.00 N ATOM 757 CA MET B 216 -8.894 1.677 5.140 1.00 15.00 C ATOM 758 C MET B 216 -8.965 2.879 6.061 1.00 15.00 C ATOM 759 O MET B 216 -7.938 3.404 6.492 1.00 15.00 O ATOM 760 CB MET B 216 -8.346 0.462 5.892 1.00 15.00 C ATOM 761 CG MET B 216 -9.191 0.057 7.089 1.00 15.00 C ATOM 762 SD MET B 216 -10.891 -0.345 6.636 1.00 15.00 S ATOM 763 CE MET B 216 -11.606 -0.644 8.251 1.00 15.00 C ATOM 0 H MET B 216 -7.122 2.315 4.240 1.00 15.00 H new ATOM 0 HA MET B 216 -9.896 1.432 4.788 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.278 -0.381 5.204 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.333 0.680 6.230 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.735 -0.805 7.575 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.195 0.868 7.817 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.658 -0.905 8.140 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.078 -1.465 8.737 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.517 0.255 8.860 1.00 15.00 H new ATOM 773 N ASP B 217 -10.177 3.312 6.349 1.00 15.00 N ATOM 774 CA ASP B 217 -10.396 4.456 7.216 1.00 15.00 C ATOM 775 C ASP B 217 -10.517 4.004 8.658 1.00 15.00 C ATOM 776 O ASP B 217 -9.599 4.295 9.454 1.00 15.00 O ATOM 777 CB ASP B 217 -11.658 5.207 6.795 1.00 15.00 C ATOM 778 CG ASP B 217 -12.051 6.288 7.784 1.00 15.00 C ATOM 779 OD1 ASP B 217 -11.393 7.346 7.816 1.00 15.00 O ATOM 780 OD2 ASP B 217 -13.044 6.092 8.518 1.00 15.00 O1- ATOM 781 OXT ASP B 217 -11.513 3.325 8.982 1.00 15.00 O ATOM 0 H ASP B 217 -11.032 2.886 5.992 1.00 15.00 H new ATOM 0 HA ASP B 217 -9.542 5.128 7.127 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.499 5.657 5.815 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.480 4.499 6.691 1.00 15.00 H new TER 786 ASP B 217