USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 366 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 251 HIS :FLIP no HD1:sc= 0.193 F(o=-3.3,f=-2.2) USER MOD Set 1.2: B 211 TYR OH : rot -18:sc= -2.2! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 238 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.3) USER MOD Single : A 240 MET CE :methyl 158:sc= -0.279 (180deg=-1.08) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 247 TYR OH : rot -29:sc= -2.44! USER MOD Single : A 248 TYR OH : rot -120:sc= -0.427 USER MOD Single : A 250 ASN : amide:sc= 0.497 K(o=0.5,f=-11!) USER MOD Single : A 252 LYS NZ :NH3+ 175:sc= 0.824 (180deg=0.784) USER MOD Single : A 253 ASN :FLIP amide:sc=-0.00743 F(o=-1.8!,f=-0.0074) USER MOD Single : A 254 LYS NZ :NH3+ -168:sc= -0.0163 (180deg=-0.17) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 30:sc= 0.0588 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 8.502 -1.473 -5.801 1.00 15.00 N ATOM 2 CA GLY A 230 9.869 -2.050 -5.870 1.00 15.00 C ATOM 3 C GLY A 230 10.325 -2.583 -4.526 1.00 15.00 C ATOM 4 O GLY A 230 9.588 -3.322 -3.874 1.00 15.00 O ATOM 0 HA2 GLY A 230 9.887 -2.855 -6.605 1.00 15.00 H new ATOM 0 HA3 GLY A 230 10.568 -1.288 -6.215 1.00 15.00 H new ATOM 10 N PRO A 231 11.545 -2.237 -4.088 1.00 15.00 N ATOM 11 CA PRO A 231 12.036 -2.588 -2.764 1.00 15.00 C ATOM 12 C PRO A 231 11.640 -1.537 -1.730 1.00 15.00 C ATOM 13 O PRO A 231 12.061 -0.384 -1.808 1.00 15.00 O ATOM 14 CB PRO A 231 13.553 -2.628 -2.955 1.00 15.00 C ATOM 15 CG PRO A 231 13.845 -1.720 -4.112 1.00 15.00 C ATOM 16 CD PRO A 231 12.550 -1.481 -4.854 1.00 15.00 C ATOM 0 HA PRO A 231 11.626 -3.527 -2.393 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.069 -2.293 -2.055 1.00 15.00 H new ATOM 0 HB3 PRO A 231 13.895 -3.643 -3.159 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.263 -0.777 -3.761 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.586 -2.170 -4.773 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.304 -0.420 -4.893 1.00 15.00 H new ATOM 0 HD3 PRO A 231 12.611 -1.832 -5.884 1.00 15.00 H new ATOM 24 N LEU A 232 10.814 -1.931 -0.774 1.00 15.00 N ATOM 25 CA LEU A 232 10.236 -0.975 0.155 1.00 15.00 C ATOM 26 C LEU A 232 10.960 -0.943 1.490 1.00 15.00 C ATOM 27 O LEU A 232 11.684 -1.876 1.829 1.00 15.00 O ATOM 28 CB LEU A 232 8.741 -1.188 0.395 1.00 15.00 C ATOM 29 CG LEU A 232 7.833 -0.734 -0.735 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.119 0.696 -1.143 1.00 15.00 C ATOM 31 CD2 LEU A 232 7.940 -1.660 -1.933 1.00 15.00 C ATOM 0 H LEU A 232 10.531 -2.899 -0.622 1.00 15.00 H new ATOM 0 HA LEU A 232 10.364 -0.011 -0.337 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.566 -2.248 0.576 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.456 -0.658 1.304 1.00 15.00 H new ATOM 0 HG LEU A 232 6.811 -0.776 -0.360 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.449 0.984 -1.954 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.961 1.356 -0.290 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.152 0.779 -1.479 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.278 -1.309 -2.725 1.00 15.00 H new ATOM 0 HD22 LEU A 232 8.968 -1.668 -2.296 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.651 -2.669 -1.640 1.00 15.00 H new ATOM 43 N PRO A 233 10.774 0.150 2.268 1.00 15.00 N ATOM 44 CA PRO A 233 11.368 0.307 3.611 1.00 15.00 C ATOM 45 C PRO A 233 10.930 -0.793 4.588 1.00 15.00 C ATOM 46 O PRO A 233 11.423 -0.861 5.713 1.00 15.00 O ATOM 47 CB PRO A 233 10.812 1.665 4.061 1.00 15.00 C ATOM 48 CG PRO A 233 10.586 2.385 2.789 1.00 15.00 C ATOM 49 CD PRO A 233 9.959 1.347 1.929 1.00 15.00 C ATOM 0 HA PRO A 233 12.456 0.243 3.590 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.888 1.552 4.628 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.517 2.195 4.702 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.933 3.247 2.923 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.518 2.754 2.362 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.904 1.204 2.162 1.00 15.00 H new ATOM 0 HD3 PRO A 233 10.021 1.599 0.870 1.00 15.00 H new ATOM 57 N ASP A 234 9.945 -1.592 4.158 1.00 15.00 N ATOM 58 CA ASP A 234 9.412 -2.724 4.933 1.00 15.00 C ATOM 59 C ASP A 234 8.411 -2.265 5.976 1.00 15.00 C ATOM 60 O ASP A 234 7.977 -3.044 6.824 1.00 15.00 O ATOM 61 CB ASP A 234 10.520 -3.565 5.577 1.00 15.00 C ATOM 62 CG ASP A 234 10.983 -4.686 4.673 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.831 -4.438 3.795 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 10.480 -5.822 4.820 1.00 15.00 O ATOM 0 H ASP A 234 9.490 -1.471 3.253 1.00 15.00 H new ATOM 0 HA ASP A 234 8.891 -3.365 4.221 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.367 -2.923 5.820 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.157 -3.984 6.516 1.00 15.00 H new ATOM 69 N GLY A 235 8.025 -1.005 5.898 1.00 15.00 N ATOM 70 CA GLY A 235 6.898 -0.540 6.671 1.00 15.00 C ATOM 71 C GLY A 235 5.606 -0.846 5.950 1.00 15.00 C ATOM 72 O GLY A 235 4.574 -1.098 6.570 1.00 15.00 O ATOM 0 H GLY A 235 8.471 -0.297 5.315 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.898 -1.018 7.650 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.983 0.533 6.840 1.00 15.00 H new ATOM 76 N TRP A 236 5.689 -0.869 4.627 1.00 15.00 N ATOM 77 CA TRP A 236 4.529 -1.075 3.776 1.00 15.00 C ATOM 78 C TRP A 236 4.779 -2.027 2.621 1.00 15.00 C ATOM 79 O TRP A 236 5.887 -2.127 2.086 1.00 15.00 O ATOM 80 CB TRP A 236 3.959 0.253 3.268 1.00 15.00 C ATOM 81 CG TRP A 236 4.940 1.378 3.100 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.271 1.316 2.789 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.632 2.766 3.260 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.802 2.581 2.767 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.814 3.488 3.048 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.461 3.466 3.566 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.859 4.878 3.138 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.507 4.842 3.651 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.701 5.536 3.439 1.00 15.00 C ATOM 0 H TRP A 236 6.563 -0.745 4.115 1.00 15.00 H new ATOM 0 HA TRP A 236 3.786 -1.554 4.414 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.477 0.073 2.307 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.181 0.578 3.959 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.821 0.408 2.591 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.777 2.810 2.572 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.534 2.937 3.733 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.780 5.417 2.975 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.607 5.391 3.885 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.708 6.613 3.515 1.00 15.00 H new ATOM 100 N GLU A 237 3.702 -2.700 2.242 1.00 15.00 N ATOM 101 CA GLU A 237 3.702 -3.705 1.199 1.00 15.00 C ATOM 102 C GLU A 237 2.713 -3.253 0.121 1.00 15.00 C ATOM 103 O GLU A 237 1.628 -2.767 0.452 1.00 15.00 O ATOM 104 CB GLU A 237 3.246 -5.033 1.821 1.00 15.00 C ATOM 105 CG GLU A 237 3.820 -6.292 1.185 1.00 15.00 C ATOM 106 CD GLU A 237 3.549 -6.408 -0.298 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.509 -6.990 -0.669 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.389 -5.931 -1.092 1.00 15.00 O ATOM 0 H GLU A 237 2.784 -2.556 2.664 1.00 15.00 H new ATOM 0 HA GLU A 237 4.690 -3.835 0.758 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.512 -5.028 2.878 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.159 -5.084 1.767 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.897 -6.312 1.350 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.404 -7.164 1.690 1.00 15.00 H new ATOM 115 N GLN A 238 3.065 -3.411 -1.148 1.00 15.00 N ATOM 116 CA GLN A 238 2.193 -2.967 -2.227 1.00 15.00 C ATOM 117 C GLN A 238 1.239 -4.099 -2.630 1.00 15.00 C ATOM 118 O GLN A 238 1.670 -5.113 -3.180 1.00 15.00 O ATOM 119 CB GLN A 238 3.019 -2.480 -3.436 1.00 15.00 C ATOM 120 CG GLN A 238 2.198 -2.015 -4.633 1.00 15.00 C ATOM 121 CD GLN A 238 1.938 -3.120 -5.642 1.00 15.00 C ATOM 122 OE1 GLN A 238 0.928 -3.819 -5.577 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.852 -3.289 -6.583 1.00 15.00 N ATOM 0 H GLN A 238 3.939 -3.839 -1.454 1.00 15.00 H new ATOM 0 HA GLN A 238 1.599 -2.124 -1.873 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.659 -1.659 -3.113 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.676 -3.288 -3.757 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.245 -1.621 -4.281 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.719 -1.195 -5.127 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.677 -2.690 -6.606 1.00 15.00 H new ATOM 0 HE22 GLN A 238 2.731 -4.018 -7.286 1.00 15.00 H new ATOM 132 N ALA A 239 -0.049 -3.941 -2.329 1.00 15.00 N ATOM 133 CA ALA A 239 -1.043 -4.931 -2.692 1.00 15.00 C ATOM 134 C ALA A 239 -1.925 -4.392 -3.806 1.00 15.00 C ATOM 135 O ALA A 239 -2.124 -3.183 -3.916 1.00 15.00 O ATOM 136 CB ALA A 239 -1.882 -5.312 -1.480 1.00 15.00 C ATOM 0 H ALA A 239 -0.422 -3.132 -1.833 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.536 -5.827 -3.049 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.624 -6.056 -1.770 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.236 -5.726 -0.706 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.388 -4.427 -1.095 1.00 15.00 H new ATOM 142 N MET A 240 -2.434 -5.281 -4.643 1.00 15.00 N ATOM 143 CA MET A 240 -3.280 -4.874 -5.754 1.00 15.00 C ATOM 144 C MET A 240 -4.746 -5.118 -5.436 1.00 15.00 C ATOM 145 O MET A 240 -5.133 -6.228 -5.065 1.00 15.00 O ATOM 146 CB MET A 240 -2.906 -5.631 -7.031 1.00 15.00 C ATOM 147 CG MET A 240 -1.483 -5.381 -7.498 1.00 15.00 C ATOM 148 SD MET A 240 -1.150 -6.104 -9.117 1.00 15.00 S ATOM 149 CE MET A 240 -2.337 -5.225 -10.130 1.00 15.00 C ATOM 0 H MET A 240 -2.277 -6.287 -4.575 1.00 15.00 H new ATOM 0 HA MET A 240 -3.122 -3.807 -5.913 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.040 -6.699 -6.861 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.595 -5.346 -7.826 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.301 -4.307 -7.539 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.787 -5.795 -6.769 1.00 15.00 H new ATOM 0 HE1 MET A 240 -2.016 -5.251 -11.171 1.00 15.00 H new ATOM 0 HE2 MET A 240 -3.314 -5.699 -10.039 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.404 -4.189 -9.797 1.00 15.00 H new ATOM 159 N THR A 241 -5.559 -4.089 -5.596 1.00 15.00 N ATOM 160 CA THR A 241 -6.991 -4.229 -5.439 1.00 15.00 C ATOM 161 C THR A 241 -7.602 -4.598 -6.784 1.00 15.00 C ATOM 162 O THR A 241 -7.112 -4.169 -7.839 1.00 15.00 O ATOM 163 CB THR A 241 -7.652 -2.941 -4.883 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.056 -3.150 -4.701 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.444 -1.753 -5.810 1.00 15.00 C ATOM 0 H THR A 241 -5.249 -3.147 -5.835 1.00 15.00 H new ATOM 0 HA THR A 241 -7.177 -5.018 -4.710 1.00 15.00 H new ATOM 0 HB THR A 241 -7.177 -2.719 -3.928 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.465 -2.333 -4.348 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.922 -0.871 -5.384 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.377 -1.566 -5.928 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.884 -1.970 -6.784 1.00 15.00 H new ATOM 173 N GLN A 242 -8.676 -5.378 -6.737 1.00 15.00 N ATOM 174 CA GLN A 242 -9.268 -5.975 -7.928 1.00 15.00 C ATOM 175 C GLN A 242 -9.840 -4.911 -8.866 1.00 15.00 C ATOM 176 O GLN A 242 -10.172 -5.194 -10.019 1.00 15.00 O ATOM 177 CB GLN A 242 -10.347 -6.975 -7.504 1.00 15.00 C ATOM 178 CG GLN A 242 -10.962 -7.760 -8.645 1.00 15.00 C ATOM 179 CD GLN A 242 -11.822 -8.901 -8.150 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.351 -10.025 -7.986 1.00 15.00 O ATOM 181 NE2 GLN A 242 -13.088 -8.623 -7.901 1.00 15.00 N ATOM 0 H GLN A 242 -9.161 -5.614 -5.871 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.490 -6.498 -8.484 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.914 -7.676 -6.790 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.138 -6.437 -6.983 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.565 -7.092 -9.261 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.170 -8.153 -9.283 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.441 -7.678 -8.050 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.713 -9.353 -7.560 1.00 15.00 H new ATOM 190 N ASP A 243 -9.936 -3.685 -8.374 1.00 15.00 N ATOM 191 CA ASP A 243 -10.393 -2.568 -9.190 1.00 15.00 C ATOM 192 C ASP A 243 -9.298 -2.137 -10.170 1.00 15.00 C ATOM 193 O ASP A 243 -9.531 -1.336 -11.073 1.00 15.00 O ATOM 194 CB ASP A 243 -10.814 -1.393 -8.302 1.00 15.00 C ATOM 195 CG ASP A 243 -11.577 -0.330 -9.068 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.763 -0.558 -9.393 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -11.002 0.736 -9.348 1.00 15.00 O ATOM 0 H ASP A 243 -9.703 -3.437 -7.412 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.260 -2.892 -9.765 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.434 -1.763 -7.485 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.928 -0.946 -7.852 1.00 15.00 H new ATOM 202 N GLY A 244 -8.098 -2.682 -9.983 1.00 15.00 N ATOM 203 CA GLY A 244 -7.009 -2.427 -10.911 1.00 15.00 C ATOM 204 C GLY A 244 -6.026 -1.375 -10.430 1.00 15.00 C ATOM 205 O GLY A 244 -5.423 -0.672 -11.241 1.00 15.00 O ATOM 0 H GLY A 244 -7.860 -3.296 -9.204 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.471 -3.358 -11.090 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.426 -2.111 -11.867 1.00 15.00 H new ATOM 209 N GLU A 245 -5.836 -1.274 -9.120 1.00 15.00 N ATOM 210 CA GLU A 245 -4.919 -0.279 -8.567 1.00 15.00 C ATOM 211 C GLU A 245 -4.076 -0.875 -7.450 1.00 15.00 C ATOM 212 O GLU A 245 -4.531 -1.748 -6.716 1.00 15.00 O ATOM 213 CB GLU A 245 -5.680 0.944 -8.048 1.00 15.00 C ATOM 214 CG GLU A 245 -6.337 1.763 -9.145 1.00 15.00 C ATOM 215 CD GLU A 245 -6.907 3.069 -8.637 1.00 15.00 C ATOM 216 OE1 GLU A 245 -6.123 4.017 -8.429 1.00 15.00 O ATOM 217 OE2 GLU A 245 -8.139 3.163 -8.470 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.298 -1.861 -8.425 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.258 0.039 -9.373 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.445 0.614 -7.345 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.991 1.581 -7.493 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.605 1.970 -9.926 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.134 1.177 -9.602 1.00 15.00 H new ATOM 224 N ILE A 246 -2.855 -0.390 -7.316 1.00 15.00 N ATOM 225 CA ILE A 246 -1.955 -0.864 -6.277 1.00 15.00 C ATOM 226 C ILE A 246 -1.922 0.126 -5.116 1.00 15.00 C ATOM 227 O ILE A 246 -1.987 1.337 -5.327 1.00 15.00 O ATOM 228 CB ILE A 246 -0.528 -1.086 -6.828 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.115 0.239 -7.249 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.563 -2.052 -8.004 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.497 0.079 -7.844 1.00 15.00 C ATOM 0 H ILE A 246 -2.461 0.335 -7.916 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.331 -1.823 -5.919 1.00 15.00 H new ATOM 0 HB ILE A 246 0.079 -1.517 -6.032 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.530 0.731 -7.977 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.176 0.896 -6.381 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.448 -2.200 -8.383 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -0.972 -3.008 -7.677 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.190 -1.640 -8.795 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.890 1.058 -8.119 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.157 -0.385 -7.111 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.440 -0.552 -8.731 1.00 15.00 H new ATOM 243 N TYR A 247 -1.850 -0.390 -3.896 1.00 15.00 N ATOM 244 CA TYR A 247 -1.859 0.454 -2.706 1.00 15.00 C ATOM 245 C TYR A 247 -0.892 -0.090 -1.653 1.00 15.00 C ATOM 246 O TYR A 247 -0.712 -1.302 -1.532 1.00 15.00 O ATOM 247 CB TYR A 247 -3.280 0.549 -2.128 1.00 15.00 C ATOM 248 CG TYR A 247 -3.882 -0.785 -1.732 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.418 -1.637 -2.689 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.917 -1.190 -0.402 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.965 -2.852 -2.336 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.463 -2.407 -0.042 1.00 15.00 C ATOM 253 CZ TYR A 247 -4.984 -3.234 -1.014 1.00 15.00 C ATOM 254 OH TYR A 247 -5.526 -4.445 -0.660 1.00 15.00 O ATOM 0 H TYR A 247 -1.785 -1.389 -3.703 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.531 1.454 -2.991 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.262 1.200 -1.254 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.929 1.023 -2.865 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.406 -1.342 -3.728 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.511 -0.543 0.361 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.377 -3.502 -3.094 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.482 -2.709 0.995 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.226 -4.690 -1.300 1.00 15.00 H new ATOM 264 N TYR A 248 -0.294 0.808 -0.879 1.00 15.00 N ATOM 265 CA TYR A 248 0.679 0.434 0.134 1.00 15.00 C ATOM 266 C TYR A 248 0.063 0.390 1.523 1.00 15.00 C ATOM 267 O TYR A 248 -0.412 1.406 2.037 1.00 15.00 O ATOM 268 CB TYR A 248 1.865 1.401 0.125 1.00 15.00 C ATOM 269 CG TYR A 248 2.871 1.046 -0.926 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.774 1.546 -2.218 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.899 0.171 -0.633 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.682 1.174 -3.190 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.805 -0.195 -1.593 1.00 15.00 C ATOM 274 CZ TYR A 248 4.695 0.300 -2.871 1.00 15.00 C ATOM 275 OH TYR A 248 5.596 -0.093 -3.833 1.00 15.00 O ATOM 0 H TYR A 248 -0.470 1.811 -0.937 1.00 15.00 H new ATOM 0 HA TYR A 248 1.028 -0.569 -0.112 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.504 2.415 -0.046 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.345 1.395 1.103 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.979 2.234 -2.466 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.990 -0.230 0.366 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.597 1.566 -4.193 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.608 -0.874 -1.345 1.00 15.00 H new ATOM 0 HH TYR A 248 5.556 -1.066 -3.940 1.00 15.00 H new ATOM 285 N ILE A 249 0.079 -0.791 2.125 1.00 15.00 N ATOM 286 CA ILE A 249 -0.387 -0.972 3.485 1.00 15.00 C ATOM 287 C ILE A 249 0.782 -0.858 4.461 1.00 15.00 C ATOM 288 O ILE A 249 1.628 -1.752 4.537 1.00 15.00 O ATOM 289 CB ILE A 249 -1.077 -2.347 3.655 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.210 -3.459 3.045 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.458 -2.327 3.018 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.795 -4.849 3.169 1.00 15.00 C ATOM 0 H ILE A 249 0.415 -1.646 1.682 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.115 -0.190 3.700 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.194 -2.551 4.719 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.049 -3.239 1.990 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.768 -3.446 3.527 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -2.931 -3.301 3.145 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.068 -1.561 3.497 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.365 -2.105 1.955 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.118 -5.571 2.712 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -0.930 -5.094 4.222 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.759 -4.885 2.662 1.00 15.00 H new ATOM 304 N ASN A 250 0.846 0.241 5.201 1.00 15.00 N ATOM 305 CA ASN A 250 1.944 0.443 6.135 1.00 15.00 C ATOM 306 C ASN A 250 1.567 -0.147 7.504 1.00 15.00 C ATOM 307 O ASN A 250 0.738 0.431 8.206 1.00 15.00 O ATOM 308 CB ASN A 250 2.284 1.935 6.276 1.00 15.00 C ATOM 309 CG ASN A 250 3.530 2.187 7.114 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.833 1.448 8.051 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.263 3.236 6.783 1.00 15.00 N ATOM 0 H ASN A 250 0.161 0.996 5.174 1.00 15.00 H new ATOM 0 HA ASN A 250 2.827 -0.066 5.749 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.427 2.364 5.284 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.438 2.453 6.728 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.109 3.454 7.310 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.983 3.828 6.001 1.00 15.00 H new ATOM 318 N HIS A 251 2.155 -1.300 7.882 1.00 15.00 N ATOM 319 CA HIS A 251 1.777 -1.987 9.112 1.00 15.00 C ATOM 320 C HIS A 251 2.446 -1.352 10.322 1.00 15.00 C ATOM 321 O HIS A 251 2.080 -1.633 11.465 1.00 15.00 O ATOM 322 CB HIS A 251 2.162 -3.473 9.042 1.00 15.00 C ATOM 323 CG HIS A 251 1.425 -4.264 8.000 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.159 -4.745 7.983 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.002 -4.679 6.821 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 -0.004 -5.435 6.806 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.125 -5.379 6.124 1.00 15.00 N flip ATOM 0 H HIS A 251 2.889 -1.765 7.349 1.00 15.00 H new ATOM 0 HA HIS A 251 0.696 -1.897 9.218 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.232 -3.548 8.846 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.983 -3.927 10.017 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.015 -4.465 6.513 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.906 -5.939 6.491 1.00 15.00 H new ATOM 0 HE2 HIS A 251 1.292 -5.805 5.212 1.00 15.00 H new ATOM 336 N LYS A 252 3.449 -0.527 10.071 1.00 15.00 N ATOM 337 CA LYS A 252 4.193 0.107 11.151 1.00 15.00 C ATOM 338 C LYS A 252 3.575 1.445 11.568 1.00 15.00 C ATOM 339 O LYS A 252 3.764 1.890 12.699 1.00 15.00 O ATOM 340 CB LYS A 252 5.669 0.297 10.766 1.00 15.00 C ATOM 341 CG LYS A 252 6.519 -0.972 10.859 1.00 15.00 C ATOM 342 CD LYS A 252 6.090 -2.037 9.858 1.00 15.00 C ATOM 343 CE LYS A 252 6.913 -3.314 10.000 1.00 15.00 C ATOM 344 NZ LYS A 252 8.343 -3.113 9.640 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.767 -0.280 9.134 1.00 15.00 H new ATOM 0 HA LYS A 252 4.138 -0.563 12.009 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.719 0.678 9.746 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.105 1.059 11.413 1.00 15.00 H new ATOM 0 HG2 LYS A 252 7.565 -0.718 10.688 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.450 -1.378 11.868 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.034 -2.267 10.003 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.196 -1.647 8.845 1.00 15.00 H new ATOM 0 HE2 LYS A 252 6.847 -3.673 11.027 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.487 -4.090 9.364 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.876 -3.985 9.833 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.417 -2.879 8.629 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.737 -2.334 10.205 1.00 15.00 H new ATOM 358 N ASN A 253 2.875 2.111 10.654 1.00 15.00 N ATOM 359 CA ASN A 253 2.240 3.391 10.971 1.00 15.00 C ATOM 360 C ASN A 253 0.724 3.351 10.784 1.00 15.00 C ATOM 361 O ASN A 253 0.037 4.312 11.131 1.00 15.00 O ATOM 362 CB ASN A 253 2.828 4.521 10.117 1.00 15.00 C ATOM 363 CG ASN A 253 4.041 5.183 10.750 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.781 4.444 11.562 1.00 15.00 O flip ATOM 365 ND2 ASN A 253 4.304 6.364 10.517 1.00 15.00 N flip ATOM 0 H ASN A 253 2.733 1.791 9.696 1.00 15.00 H new ATOM 0 HA ASN A 253 2.446 3.584 12.024 1.00 15.00 H new ATOM 0 HB2 ASN A 253 3.108 4.122 9.142 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.060 5.275 9.945 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.712 6.903 9.886 1.00 15.00 H new ATOM 0 HD22 ASN A 253 5.114 6.802 10.955 1.00 15.00 H new ATOM 372 N LYS A 254 0.212 2.247 10.233 1.00 15.00 N ATOM 373 CA LYS A 254 -1.222 2.093 9.976 1.00 15.00 C ATOM 374 C LYS A 254 -1.699 3.156 8.977 1.00 15.00 C ATOM 375 O LYS A 254 -2.741 3.790 9.154 1.00 15.00 O ATOM 376 CB LYS A 254 -2.007 2.164 11.300 1.00 15.00 C ATOM 377 CG LYS A 254 -3.495 1.875 11.165 1.00 15.00 C ATOM 378 CD LYS A 254 -4.180 1.800 12.517 1.00 15.00 C ATOM 379 CE LYS A 254 -5.683 1.624 12.364 1.00 15.00 C ATOM 380 NZ LYS A 254 -6.333 2.831 11.785 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.774 1.442 9.955 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.406 1.115 9.531 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.574 1.453 12.004 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.880 3.157 11.731 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.963 2.654 10.563 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.636 0.934 10.634 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.770 0.968 13.089 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.973 2.708 13.083 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.883 0.764 11.726 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -6.123 1.408 13.338 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.365 2.751 11.885 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.001 3.679 12.287 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.088 2.908 10.777 1.00 15.00 H new ATOM 394 N THR A 255 -0.941 3.320 7.903 1.00 15.00 N ATOM 395 CA THR A 255 -1.246 4.335 6.904 1.00 15.00 C ATOM 396 C THR A 255 -1.294 3.729 5.498 1.00 15.00 C ATOM 397 O THR A 255 -0.612 2.737 5.224 1.00 15.00 O ATOM 398 CB THR A 255 -0.214 5.482 6.936 1.00 15.00 C ATOM 399 OG1 THR A 255 1.118 4.953 6.904 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.389 6.341 8.178 1.00 15.00 C ATOM 0 H THR A 255 -0.110 2.764 7.700 1.00 15.00 H new ATOM 0 HA THR A 255 -2.228 4.740 7.149 1.00 15.00 H new ATOM 0 HB THR A 255 -0.379 6.104 6.056 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.763 5.690 6.923 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.351 7.141 8.174 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.390 6.773 8.184 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.254 5.726 9.068 1.00 15.00 H new ATOM 408 N THR A 256 -2.108 4.307 4.614 1.00 15.00 N ATOM 409 CA THR A 256 -2.201 3.824 3.245 1.00 15.00 C ATOM 410 C THR A 256 -1.673 4.874 2.269 1.00 15.00 C ATOM 411 O THR A 256 -2.208 5.981 2.185 1.00 15.00 O ATOM 412 CB THR A 256 -3.655 3.473 2.860 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.340 2.889 3.978 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.672 2.491 1.696 1.00 15.00 C ATOM 0 H THR A 256 -2.707 5.105 4.824 1.00 15.00 H new ATOM 0 HA THR A 256 -1.594 2.920 3.185 1.00 15.00 H new ATOM 0 HB THR A 256 -4.160 4.393 2.566 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.261 2.673 3.721 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.703 2.253 1.436 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.175 2.938 0.835 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.150 1.578 1.983 1.00 15.00 H new ATOM 422 N SER A 257 -0.624 4.525 1.543 1.00 15.00 N ATOM 423 CA SER A 257 -0.052 5.410 0.536 1.00 15.00 C ATOM 424 C SER A 257 -0.193 4.761 -0.835 1.00 15.00 C ATOM 425 O SER A 257 0.034 3.570 -0.970 1.00 15.00 O ATOM 426 CB SER A 257 1.425 5.676 0.849 1.00 15.00 C ATOM 427 OG SER A 257 1.995 6.597 -0.068 1.00 15.00 O ATOM 0 H SER A 257 -0.146 3.628 1.632 1.00 15.00 H new ATOM 0 HA SER A 257 -0.582 6.362 0.541 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.518 6.066 1.863 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.979 4.738 0.816 1.00 15.00 H new ATOM 0 HG SER A 257 2.936 6.746 0.160 1.00 15.00 H new ATOM 433 N TRP A 258 -0.560 5.535 -1.847 1.00 15.00 N ATOM 434 CA TRP A 258 -0.796 4.982 -3.180 1.00 15.00 C ATOM 435 C TRP A 258 0.453 4.335 -3.787 1.00 15.00 C ATOM 436 O TRP A 258 0.473 3.134 -4.049 1.00 15.00 O ATOM 437 CB TRP A 258 -1.324 6.061 -4.129 1.00 15.00 C ATOM 438 CG TRP A 258 -2.816 6.188 -4.127 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.550 7.304 -3.843 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.760 5.154 -4.431 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.891 7.026 -3.957 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.045 5.713 -4.317 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.643 3.810 -4.790 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.200 4.976 -4.554 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.790 3.079 -5.023 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.055 3.664 -4.904 1.00 15.00 C ATOM 0 H TRP A 258 -0.701 6.543 -1.775 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.544 4.199 -3.056 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.886 7.020 -3.853 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.989 5.837 -5.142 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -3.137 8.264 -3.569 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.649 7.690 -3.799 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.670 3.350 -4.884 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.178 5.426 -4.464 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.710 2.039 -5.302 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -6.934 3.066 -5.093 1.00 15.00 H new ATOM 457 N LEU A 259 1.492 5.128 -4.006 1.00 15.00 N ATOM 458 CA LEU A 259 2.635 4.679 -4.797 1.00 15.00 C ATOM 459 C LEU A 259 3.955 4.692 -4.039 1.00 15.00 C ATOM 460 O LEU A 259 4.107 5.369 -3.017 1.00 15.00 O ATOM 461 CB LEU A 259 2.738 5.440 -6.112 1.00 15.00 C ATOM 462 CG LEU A 259 1.980 4.773 -7.262 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.201 5.531 -8.559 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.418 3.316 -7.403 1.00 15.00 C ATOM 0 H LEU A 259 1.570 6.081 -3.650 1.00 15.00 H new ATOM 0 HA LEU A 259 2.439 3.631 -5.023 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.352 6.450 -5.970 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.789 5.536 -6.386 1.00 15.00 H new ATOM 0 HG LEU A 259 0.914 4.794 -7.038 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.654 5.041 -9.364 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.843 6.555 -8.448 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.265 5.542 -8.797 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.873 2.850 -8.224 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.488 3.276 -7.609 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.206 2.781 -6.477 1.00 15.00 H new ATOM 476 N ASP A 260 4.903 3.929 -4.586 1.00 15.00 N ATOM 477 CA ASP A 260 6.143 3.547 -3.916 1.00 15.00 C ATOM 478 C ASP A 260 6.974 4.761 -3.509 1.00 15.00 C ATOM 479 O ASP A 260 7.363 5.585 -4.341 1.00 15.00 O ATOM 480 CB ASP A 260 6.957 2.669 -4.876 1.00 15.00 C ATOM 481 CG ASP A 260 8.148 1.995 -4.222 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.953 2.691 -3.569 1.00 15.00 O ATOM 483 OD2 ASP A 260 8.283 0.762 -4.380 1.00 15.00 O1- ATOM 0 H ASP A 260 4.826 3.551 -5.530 1.00 15.00 H new ATOM 0 HA ASP A 260 5.891 3.006 -3.004 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.304 1.905 -5.298 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.308 3.282 -5.706 1.00 15.00 H new ATOM 488 N PRO A 261 7.238 4.877 -2.201 1.00 15.00 N ATOM 489 CA PRO A 261 7.990 5.990 -1.623 1.00 15.00 C ATOM 490 C PRO A 261 9.507 5.858 -1.772 1.00 15.00 C ATOM 491 O PRO A 261 10.226 6.852 -1.693 1.00 15.00 O ATOM 492 CB PRO A 261 7.594 5.921 -0.155 1.00 15.00 C ATOM 493 CG PRO A 261 7.394 4.472 0.096 1.00 15.00 C ATOM 494 CD PRO A 261 6.792 3.923 -1.167 1.00 15.00 C ATOM 0 HA PRO A 261 7.761 6.932 -2.121 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.372 6.334 0.488 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.684 6.489 0.040 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.339 3.980 0.326 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.734 4.309 0.948 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.144 2.912 -1.374 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.705 3.875 -1.106 1.00 15.00 H new ATOM 502 N ARG A 262 9.996 4.633 -1.947 1.00 15.00 N ATOM 503 CA ARG A 262 11.434 4.393 -2.053 1.00 15.00 C ATOM 504 C ARG A 262 11.927 4.713 -3.465 1.00 15.00 C ATOM 505 O ARG A 262 13.125 4.884 -3.703 1.00 15.00 O ATOM 506 CB ARG A 262 11.779 2.948 -1.645 1.00 15.00 C ATOM 507 CG ARG A 262 13.200 2.521 -2.001 1.00 15.00 C ATOM 508 CD ARG A 262 14.231 3.170 -1.092 1.00 15.00 C ATOM 509 NE ARG A 262 14.236 2.561 0.235 1.00 15.00 N ATOM 510 CZ ARG A 262 14.435 3.225 1.371 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.636 4.536 1.360 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 14.439 2.560 2.521 1.00 15.00 N ATOM 0 H ARG A 262 9.421 3.794 -2.018 1.00 15.00 H new ATOM 0 HA ARG A 262 11.950 5.059 -1.362 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.638 2.843 -0.569 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.076 2.268 -2.126 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.282 1.437 -1.927 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.410 2.787 -3.037 1.00 15.00 H new ATOM 0 HD2 ARG A 262 15.221 3.078 -1.539 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.019 4.236 -1.003 1.00 15.00 H new ATOM 0 HE ARG A 262 14.076 1.556 0.296 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.639 5.044 0.476 1.00 15.00 H new ATOM 0 HH12 ARG A 262 14.788 5.036 2.236 1.00 15.00 H new ATOM 0 HH21 ARG A 262 14.291 1.551 2.527 1.00 15.00 H new ATOM 0 HH22 ARG A 262 14.591 3.059 3.398 1.00 15.00 H new ATOM 526 N LEU A 263 10.999 4.780 -4.402 1.00 15.00 N ATOM 527 CA LEU A 263 11.323 5.153 -5.772 1.00 15.00 C ATOM 528 C LEU A 263 11.465 6.667 -5.922 1.00 15.00 C ATOM 529 O LEU A 263 11.978 7.153 -6.933 1.00 15.00 O ATOM 530 CB LEU A 263 10.263 4.624 -6.740 1.00 15.00 C ATOM 531 CG LEU A 263 10.516 3.223 -7.314 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.825 2.215 -6.219 1.00 15.00 C ATOM 533 CD2 LEU A 263 9.314 2.770 -8.124 1.00 15.00 C ATOM 0 H LEU A 263 10.012 4.581 -4.241 1.00 15.00 H new ATOM 0 HA LEU A 263 12.283 4.699 -6.017 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.302 4.616 -6.226 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.175 5.325 -7.570 1.00 15.00 H new ATOM 0 HG LEU A 263 11.389 3.280 -7.964 1.00 15.00 H new ATOM 0 HD11 LEU A 263 10.998 1.235 -6.665 1.00 15.00 H new ATOM 0 HD12 LEU A 263 11.716 2.529 -5.676 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.982 2.156 -5.530 1.00 15.00 H new ATOM 0 HD21 LEU A 263 9.501 1.775 -8.528 1.00 15.00 H new ATOM 0 HD22 LEU A 263 8.433 2.741 -7.483 1.00 15.00 H new ATOM 0 HD23 LEU A 263 9.144 3.468 -8.944 1.00 15.00 H new ATOM 545 N ASP A 264 10.972 7.406 -4.933 1.00 15.00 N ATOM 546 CA ASP A 264 11.063 8.870 -4.945 1.00 15.00 C ATOM 547 C ASP A 264 12.502 9.416 -4.775 1.00 15.00 C ATOM 548 O ASP A 264 12.922 10.278 -5.547 1.00 15.00 O ATOM 549 CB ASP A 264 10.126 9.474 -3.889 1.00 15.00 C ATOM 550 CG ASP A 264 10.189 10.989 -3.833 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.784 11.647 -4.816 1.00 15.00 O ATOM 552 OD2 ASP A 264 10.623 11.534 -2.797 1.00 15.00 O1- ATOM 0 H ASP A 264 10.505 7.020 -4.112 1.00 15.00 H new ATOM 0 HA ASP A 264 10.745 9.181 -5.940 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.102 9.167 -4.102 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.383 9.069 -2.910 1.00 15.00 H new ATOM 557 N PRO A 265 13.264 8.958 -3.761 1.00 15.00 N ATOM 558 CA PRO A 265 14.657 9.381 -3.551 1.00 15.00 C ATOM 559 C PRO A 265 15.584 8.920 -4.674 1.00 15.00 C ATOM 560 O PRO A 265 15.552 7.722 -5.025 1.00 15.00 O ATOM 561 CB PRO A 265 15.048 8.709 -2.229 1.00 15.00 C ATOM 562 CG PRO A 265 14.111 7.564 -2.098 1.00 15.00 C ATOM 563 CD PRO A 265 12.829 8.024 -2.728 1.00 15.00 C ATOM 564 OXT PRO A 265 16.364 9.754 -5.182 1.00 15.00 O ATOM 0 HA PRO A 265 14.747 10.467 -3.534 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.085 8.373 -2.247 1.00 15.00 H new ATOM 0 HB3 PRO A 265 14.951 9.398 -1.390 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.500 6.678 -2.601 1.00 15.00 H new ATOM 0 HG3 PRO A 265 13.961 7.297 -1.052 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.270 7.190 -3.153 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.177 8.507 -2.001 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -8.881 10.199 -5.329 1.00 15.00 N ATOM 574 CA SER B 206 -9.399 8.952 -4.735 1.00 15.00 C ATOM 575 C SER B 206 -8.552 8.534 -3.536 1.00 15.00 C ATOM 576 O SER B 206 -7.344 8.333 -3.660 1.00 15.00 O ATOM 577 CB SER B 206 -9.410 7.841 -5.784 1.00 15.00 C ATOM 578 OG SER B 206 -10.238 8.183 -6.884 1.00 15.00 O ATOM 0 HA SER B 206 -10.418 9.128 -4.391 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.394 7.657 -6.133 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.765 6.914 -5.333 1.00 15.00 H new ATOM 0 HG SER B 206 -10.239 9.156 -7.003 1.00 15.00 H new ATOM 586 N PRO B 207 -9.177 8.419 -2.354 1.00 15.00 N ATOM 587 CA PRO B 207 -8.504 7.943 -1.141 1.00 15.00 C ATOM 588 C PRO B 207 -8.138 6.465 -1.256 1.00 15.00 C ATOM 589 O PRO B 207 -8.922 5.667 -1.777 1.00 15.00 O ATOM 590 CB PRO B 207 -9.553 8.147 -0.034 1.00 15.00 C ATOM 591 CG PRO B 207 -10.595 9.034 -0.631 1.00 15.00 C ATOM 592 CD PRO B 207 -10.586 8.748 -2.101 1.00 15.00 C ATOM 0 HA PRO B 207 -7.570 8.472 -0.951 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.981 7.195 0.281 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.108 8.604 0.849 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.575 8.830 -0.200 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.373 10.083 -0.436 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.248 7.921 -2.357 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.912 9.609 -2.684 1.00 15.00 H new ATOM 600 N PRO B 208 -6.950 6.071 -0.771 1.00 15.00 N ATOM 601 CA PRO B 208 -6.499 4.682 -0.833 1.00 15.00 C ATOM 602 C PRO B 208 -7.323 3.789 0.091 1.00 15.00 C ATOM 603 O PRO B 208 -7.674 4.198 1.201 1.00 15.00 O ATOM 604 CB PRO B 208 -5.036 4.752 -0.363 1.00 15.00 C ATOM 605 CG PRO B 208 -4.682 6.200 -0.390 1.00 15.00 C ATOM 606 CD PRO B 208 -5.959 6.926 -0.109 1.00 15.00 C ATOM 0 HA PRO B 208 -6.606 4.253 -1.829 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.925 4.339 0.639 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.384 4.176 -1.019 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.925 6.433 0.358 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.272 6.486 -1.359 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.149 7.018 0.960 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.953 7.936 -0.519 1.00 15.00 H new ATOM 614 N PRO B 209 -7.631 2.558 -0.358 1.00 15.00 N ATOM 615 CA PRO B 209 -8.423 1.592 0.411 1.00 15.00 C ATOM 616 C PRO B 209 -7.922 1.432 1.845 1.00 15.00 C ATOM 617 O PRO B 209 -6.713 1.415 2.092 1.00 15.00 O ATOM 618 CB PRO B 209 -8.249 0.275 -0.364 1.00 15.00 C ATOM 619 CG PRO B 209 -7.207 0.539 -1.400 1.00 15.00 C ATOM 620 CD PRO B 209 -7.242 2.014 -1.661 1.00 15.00 C ATOM 0 HA PRO B 209 -9.461 1.912 0.505 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -7.941 -0.531 0.302 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.188 -0.033 -0.825 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.222 0.229 -1.050 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.413 -0.023 -2.311 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.272 2.392 -1.985 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.961 2.271 -2.439 1.00 15.00 H new ATOM 628 N PRO B 210 -8.863 1.311 2.800 1.00 15.00 N ATOM 629 CA PRO B 210 -8.551 1.182 4.227 1.00 15.00 C ATOM 630 C PRO B 210 -7.490 0.123 4.509 1.00 15.00 C ATOM 631 O PRO B 210 -7.553 -0.993 3.994 1.00 15.00 O ATOM 632 CB PRO B 210 -9.890 0.773 4.844 1.00 15.00 C ATOM 633 CG PRO B 210 -10.914 1.352 3.933 1.00 15.00 C ATOM 634 CD PRO B 210 -10.320 1.293 2.554 1.00 15.00 C ATOM 0 HA PRO B 210 -8.137 2.105 4.634 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.983 -0.311 4.907 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.995 1.162 5.857 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.845 0.786 3.982 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.150 2.379 4.213 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.626 0.391 2.024 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.634 2.141 1.946 1.00 15.00 H new ATOM 642 N TYR B 211 -6.540 0.478 5.360 1.00 15.00 N ATOM 643 CA TYR B 211 -5.437 -0.404 5.711 1.00 15.00 C ATOM 644 C TYR B 211 -5.918 -1.535 6.626 1.00 15.00 C ATOM 645 O TYR B 211 -5.205 -2.512 6.862 1.00 15.00 O ATOM 646 CB TYR B 211 -4.317 0.420 6.376 1.00 15.00 C ATOM 647 CG TYR B 211 -3.415 -0.369 7.297 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.445 -1.227 6.798 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.553 -0.265 8.674 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.643 -1.962 7.649 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.752 -0.990 9.530 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.802 -1.837 9.014 1.00 15.00 C ATOM 653 OH TYR B 211 -1.012 -2.572 9.868 1.00 15.00 O ATOM 0 H TYR B 211 -6.511 1.385 5.827 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.041 -0.866 4.807 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.708 0.876 5.596 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.770 1.233 6.943 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.316 -1.321 5.730 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.302 0.397 9.083 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.896 -2.631 7.248 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.871 -0.893 10.599 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.610 -3.320 9.379 1.00 15.00 H new ATOM 663 N SER B 212 -7.146 -1.410 7.115 1.00 15.00 N ATOM 664 CA SER B 212 -7.692 -2.370 8.059 1.00 15.00 C ATOM 665 C SER B 212 -7.726 -3.772 7.453 1.00 15.00 C ATOM 666 O SER B 212 -7.366 -4.747 8.115 1.00 15.00 O ATOM 667 CB SER B 212 -9.090 -1.938 8.489 1.00 15.00 C ATOM 668 OG SER B 212 -9.079 -0.597 8.953 1.00 15.00 O ATOM 0 H SER B 212 -7.782 -0.650 6.871 1.00 15.00 H new ATOM 0 HA SER B 212 -7.046 -2.400 8.936 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.780 -2.032 7.650 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.454 -2.598 9.277 1.00 15.00 H new ATOM 0 HG SER B 212 -9.984 -0.337 9.223 1.00 15.00 H new ATOM 674 N ARG B 213 -8.212 -3.889 6.221 1.00 15.00 N ATOM 675 CA ARG B 213 -8.112 -5.146 5.500 1.00 15.00 C ATOM 676 C ARG B 213 -8.032 -4.911 3.995 1.00 15.00 C ATOM 677 O ARG B 213 -8.367 -3.834 3.510 1.00 15.00 O ATOM 678 CB ARG B 213 -9.258 -6.087 5.831 1.00 15.00 C ATOM 679 CG ARG B 213 -8.837 -7.543 5.724 1.00 15.00 C ATOM 680 CD ARG B 213 -7.961 -7.958 6.901 1.00 15.00 C ATOM 681 NE ARG B 213 -8.392 -7.350 8.160 1.00 15.00 N ATOM 682 CZ ARG B 213 -9.186 -7.946 9.045 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.690 -9.148 8.798 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -9.488 -7.329 10.182 1.00 15.00 N ATOM 0 H ARG B 213 -8.673 -3.137 5.709 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.189 -5.625 5.826 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.615 -5.885 6.841 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.091 -5.898 5.154 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.723 -8.177 5.686 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.294 -7.698 4.792 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.980 -9.043 7.000 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -6.928 -7.675 6.699 1.00 15.00 H new ATOM 0 HE ARG B 213 -8.062 -6.408 8.373 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.470 -9.623 7.923 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.298 -9.597 9.483 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -9.111 -6.401 10.374 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.097 -7.783 10.863 1.00 15.00 H new ATOM 698 N TYR B 214 -7.635 -5.945 3.267 1.00 15.00 N ATOM 699 CA TYR B 214 -7.316 -5.822 1.853 1.00 15.00 C ATOM 700 C TYR B 214 -8.544 -6.117 1.000 1.00 15.00 C ATOM 701 O TYR B 214 -9.109 -7.211 1.070 1.00 15.00 O ATOM 702 CB TYR B 214 -6.175 -6.786 1.479 1.00 15.00 C ATOM 703 CG TYR B 214 -5.125 -6.960 2.566 1.00 15.00 C ATOM 704 CD1 TYR B 214 -4.883 -5.959 3.494 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.401 -8.140 2.679 1.00 15.00 C ATOM 706 CE1 TYR B 214 -3.962 -6.119 4.496 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.464 -8.309 3.683 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.249 -7.292 4.592 1.00 15.00 C ATOM 709 OH TYR B 214 -2.326 -7.454 5.602 1.00 15.00 O ATOM 0 H TYR B 214 -7.525 -6.889 3.638 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.994 -4.798 1.661 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.601 -7.761 1.241 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.688 -6.422 0.574 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -5.433 -5.032 3.426 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.572 -8.938 1.972 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -3.796 -5.325 5.209 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.905 -9.230 3.755 1.00 15.00 H new ATOM 0 HH TYR B 214 -1.911 -8.339 5.527 1.00 15.00 H new ATOM 719 N PRO B 215 -8.980 -5.135 0.198 1.00 15.00 N ATOM 720 CA PRO B 215 -10.125 -5.283 -0.707 1.00 15.00 C ATOM 721 C PRO B 215 -9.919 -6.395 -1.735 1.00 15.00 C ATOM 722 O PRO B 215 -8.914 -6.428 -2.450 1.00 15.00 O ATOM 723 CB PRO B 215 -10.211 -3.916 -1.408 1.00 15.00 C ATOM 724 CG PRO B 215 -8.876 -3.287 -1.196 1.00 15.00 C ATOM 725 CD PRO B 215 -8.401 -3.787 0.132 1.00 15.00 C ATOM 0 HA PRO B 215 -11.031 -5.559 -0.168 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.429 -4.030 -2.470 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.007 -3.304 -0.983 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.182 -3.564 -1.990 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.950 -2.200 -1.202 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.313 -3.811 0.190 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.750 -3.156 0.950 1.00 15.00 H new ATOM 733 N MET B 216 -10.878 -7.308 -1.797 1.00 15.00 N ATOM 734 CA MET B 216 -10.827 -8.428 -2.731 1.00 15.00 C ATOM 735 C MET B 216 -11.807 -8.192 -3.881 1.00 15.00 C ATOM 736 O MET B 216 -11.979 -9.034 -4.763 1.00 15.00 O ATOM 737 CB MET B 216 -11.171 -9.729 -1.990 1.00 15.00 C ATOM 738 CG MET B 216 -10.947 -10.994 -2.807 1.00 15.00 C ATOM 739 SD MET B 216 -11.414 -12.494 -1.917 1.00 15.00 S ATOM 740 CE MET B 216 -11.001 -13.746 -3.131 1.00 15.00 C ATOM 0 H MET B 216 -11.709 -7.295 -1.206 1.00 15.00 H new ATOM 0 HA MET B 216 -9.822 -8.512 -3.145 1.00 15.00 H new ATOM 0 HB2 MET B 216 -10.570 -9.786 -1.082 1.00 15.00 H new ATOM 0 HB3 MET B 216 -12.215 -9.691 -1.680 1.00 15.00 H new ATOM 0 HG2 MET B 216 -11.522 -10.931 -3.731 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.896 -11.057 -3.090 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.233 -14.733 -2.730 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.581 -13.578 -4.039 1.00 15.00 H new ATOM 0 HE3 MET B 216 -9.938 -13.690 -3.364 1.00 15.00 H new ATOM 750 N ASP B 217 -12.429 -7.024 -3.866 1.00 15.00 N ATOM 751 CA ASP B 217 -13.453 -6.675 -4.839 1.00 15.00 C ATOM 752 C ASP B 217 -13.057 -5.420 -5.605 1.00 15.00 C ATOM 753 O ASP B 217 -13.430 -5.305 -6.795 1.00 15.00 O ATOM 754 CB ASP B 217 -14.796 -6.456 -4.141 1.00 15.00 C ATOM 755 CG ASP B 217 -14.759 -5.309 -3.150 1.00 15.00 C ATOM 756 OD1 ASP B 217 -14.241 -5.501 -2.025 1.00 15.00 O ATOM 757 OD2 ASP B 217 -15.262 -4.214 -3.475 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -12.356 -4.568 -5.020 1.00 15.00 O ATOM 0 H ASP B 217 -12.239 -6.292 -3.181 1.00 15.00 H new ATOM 0 HA ASP B 217 -13.550 -7.500 -5.545 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -15.563 -6.259 -4.890 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.085 -7.370 -3.622 1.00 15.00 H new TER 763 ASP B 217