USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=14 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 241 THR OG1 : rot 180:sc= -0.0581 USER MOD Set 1.2: B 216 MET CE :methyl -122:sc= -0.463 (180deg=-2.38!) USER MOD Set 2.1: A 251 HIS : no HD1:sc= 0.238 K(o=-2.1,f=-4.5!) USER MOD Set 2.2: B 211 TYR OH : rot 180:sc= -2.79! USER MOD Set 2.3: B 214 TYR OH : rot 180:sc= 0.453 USER MOD Set 3.1: A 250 ASN : amide:sc= -1.65 K(o=-1.5,f=-10!) USER MOD Set 3.2: A 253 ASN : amide:sc= 0.155 K(o=-1.5,f=-5.2) USER MOD Single : A 238 GLN : amide:sc= -4.31! C(o=-4.3!,f=-5.8!) USER MOD Single : A 240 MET CE :methyl 133:sc= -0.111 (180deg=-0.484) USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 247 TYR OH : rot 165:sc= -0.185 USER MOD Single : A 248 TYR OH : rot -15:sc= -1.81 USER MOD Single : A 252 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.959) USER MOD Single : A 254 LYS NZ :NH3+ 167:sc= 0.747 (180deg=0.404) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 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= 0.0823 USER MOD Single : B 212 SER OG : rot 180:sc=-0.000225 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.828 0.123 -6.184 1.00 15.00 N ATOM 2 CA GLY A 230 11.170 -1.315 -6.108 1.00 15.00 C ATOM 3 C GLY A 230 11.275 -1.796 -4.678 1.00 15.00 C ATOM 4 O GLY A 230 10.336 -2.401 -4.163 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.411 -1.897 -6.632 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.116 -1.491 -6.620 1.00 15.00 H new ATOM 10 N PRO A 231 12.414 -1.559 -4.008 1.00 15.00 N ATOM 11 CA PRO A 231 12.583 -1.898 -2.600 1.00 15.00 C ATOM 12 C PRO A 231 11.926 -0.863 -1.696 1.00 15.00 C ATOM 13 O PRO A 231 12.317 0.300 -1.692 1.00 15.00 O ATOM 14 CB PRO A 231 14.106 -1.900 -2.394 1.00 15.00 C ATOM 15 CG PRO A 231 14.710 -1.606 -3.734 1.00 15.00 C ATOM 16 CD PRO A 231 13.634 -0.964 -4.561 1.00 15.00 C ATOM 0 HA PRO A 231 12.118 -2.852 -2.351 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.401 -1.149 -1.661 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.446 -2.864 -2.017 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.569 -0.942 -3.634 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.067 -2.521 -4.207 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.638 0.121 -4.461 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.750 -1.187 -5.622 1.00 15.00 H new ATOM 24 N LEU A 232 10.921 -1.286 -0.947 1.00 15.00 N ATOM 25 CA LEU A 232 10.186 -0.379 -0.076 1.00 15.00 C ATOM 26 C LEU A 232 10.812 -0.313 1.312 1.00 15.00 C ATOM 27 O LEU A 232 11.572 -1.198 1.693 1.00 15.00 O ATOM 28 CB LEU A 232 8.697 -0.719 0.058 1.00 15.00 C ATOM 29 CG LEU A 232 7.796 -0.272 -1.093 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.847 1.221 -1.331 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.125 -1.005 -2.374 1.00 15.00 C ATOM 0 H LEU A 232 10.594 -2.252 -0.923 1.00 15.00 H new ATOM 0 HA LEU A 232 10.254 0.594 -0.562 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.601 -1.799 0.169 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.325 -0.270 0.979 1.00 15.00 H new ATOM 0 HG LEU A 232 6.780 -0.525 -0.789 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.188 1.480 -2.160 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.522 1.744 -0.432 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.868 1.516 -1.574 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.464 -0.661 -3.170 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.160 -0.807 -2.651 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.988 -2.076 -2.226 1.00 15.00 H new ATOM 43 N PRO A 233 10.501 0.745 2.092 1.00 15.00 N ATOM 44 CA PRO A 233 11.035 0.938 3.458 1.00 15.00 C ATOM 45 C PRO A 233 10.675 -0.215 4.404 1.00 15.00 C ATOM 46 O PRO A 233 11.107 -0.240 5.558 1.00 15.00 O ATOM 47 CB PRO A 233 10.343 2.234 3.893 1.00 15.00 C ATOM 48 CG PRO A 233 10.127 2.944 2.612 1.00 15.00 C ATOM 49 CD PRO A 233 9.602 1.865 1.737 1.00 15.00 C ATOM 0 HA PRO A 233 12.124 0.976 3.482 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.403 2.036 4.408 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.964 2.814 4.576 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.417 3.764 2.716 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.051 3.370 2.222 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.557 1.637 1.947 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.665 2.125 0.680 1.00 15.00 H new ATOM 57 N ASP A 234 9.795 -1.098 3.920 1.00 15.00 N ATOM 58 CA ASP A 234 9.425 -2.351 4.596 1.00 15.00 C ATOM 59 C ASP A 234 8.379 -2.120 5.660 1.00 15.00 C ATOM 60 O ASP A 234 8.050 -3.021 6.430 1.00 15.00 O ATOM 61 CB ASP A 234 10.636 -3.066 5.206 1.00 15.00 C ATOM 62 CG ASP A 234 11.607 -3.574 4.165 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.162 -4.187 3.171 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.823 -3.360 4.342 1.00 15.00 O ATOM 0 H ASP A 234 9.310 -0.962 3.033 1.00 15.00 H new ATOM 0 HA ASP A 234 9.007 -2.997 3.824 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.156 -2.381 5.876 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.290 -3.904 5.811 1.00 15.00 H new ATOM 69 N GLY A 235 7.828 -0.925 5.683 1.00 15.00 N ATOM 70 CA GLY A 235 6.676 -0.681 6.511 1.00 15.00 C ATOM 71 C GLY A 235 5.418 -1.081 5.781 1.00 15.00 C ATOM 72 O GLY A 235 4.390 -1.369 6.389 1.00 15.00 O ATOM 0 H GLY A 235 8.155 -0.122 5.146 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.761 -1.244 7.440 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.629 0.374 6.781 1.00 15.00 H new ATOM 76 N TRP A 236 5.531 -1.153 4.460 1.00 15.00 N ATOM 77 CA TRP A 236 4.385 -1.371 3.599 1.00 15.00 C ATOM 78 C TRP A 236 4.643 -2.321 2.446 1.00 15.00 C ATOM 79 O TRP A 236 5.749 -2.415 1.918 1.00 15.00 O ATOM 80 CB TRP A 236 3.802 -0.046 3.091 1.00 15.00 C ATOM 81 CG TRP A 236 4.768 1.096 2.937 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.101 1.067 2.620 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.436 2.474 3.128 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.600 2.342 2.608 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.601 3.221 2.916 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.259 3.145 3.458 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.628 4.607 3.029 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.282 4.520 3.571 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.462 5.240 3.358 1.00 15.00 C ATOM 0 H TRP A 236 6.416 -1.062 3.962 1.00 15.00 H new ATOM 0 HA TRP A 236 3.647 -1.864 4.232 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.332 -0.228 2.125 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.013 0.264 3.776 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.671 0.174 2.411 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.566 2.596 2.401 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.343 2.597 3.623 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.538 5.164 2.863 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.376 5.048 3.828 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.452 6.316 3.455 1.00 15.00 H new ATOM 100 N GLU A 237 3.563 -2.996 2.066 1.00 15.00 N ATOM 101 CA GLU A 237 3.550 -4.004 1.026 1.00 15.00 C ATOM 102 C GLU A 237 2.634 -3.532 -0.103 1.00 15.00 C ATOM 103 O GLU A 237 1.564 -2.976 0.163 1.00 15.00 O ATOM 104 CB GLU A 237 3.022 -5.310 1.641 1.00 15.00 C ATOM 105 CG GLU A 237 2.802 -6.444 0.654 1.00 15.00 C ATOM 106 CD GLU A 237 4.091 -7.072 0.165 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.654 -6.591 -0.840 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.547 -8.056 0.786 1.00 15.00 O ATOM 0 H GLU A 237 2.647 -2.848 2.490 1.00 15.00 H new ATOM 0 HA GLU A 237 4.548 -4.170 0.620 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.725 -5.644 2.404 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.079 -5.100 2.146 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.188 -7.212 1.124 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.242 -6.068 -0.202 1.00 15.00 H new ATOM 115 N GLN A 238 3.029 -3.765 -1.347 1.00 15.00 N ATOM 116 CA GLN A 238 2.221 -3.342 -2.483 1.00 15.00 C ATOM 117 C GLN A 238 1.238 -4.448 -2.876 1.00 15.00 C ATOM 118 O GLN A 238 1.646 -5.498 -3.383 1.00 15.00 O ATOM 119 CB GLN A 238 3.114 -2.991 -3.681 1.00 15.00 C ATOM 120 CG GLN A 238 2.354 -2.729 -4.973 1.00 15.00 C ATOM 121 CD GLN A 238 3.269 -2.675 -6.182 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.988 -1.986 -7.159 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.374 -3.404 -6.124 1.00 15.00 N ATOM 0 H GLN A 238 3.897 -4.241 -1.595 1.00 15.00 H new ATOM 0 HA GLN A 238 1.661 -2.454 -2.191 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.703 -2.108 -3.434 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.818 -3.807 -3.846 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.610 -3.512 -5.119 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.813 -1.787 -4.888 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.573 -3.964 -5.295 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.026 -3.405 -6.909 1.00 15.00 H new ATOM 132 N ALA A 239 -0.050 -4.230 -2.614 1.00 15.00 N ATOM 133 CA ALA A 239 -1.071 -5.193 -2.977 1.00 15.00 C ATOM 134 C ALA A 239 -1.803 -4.721 -4.226 1.00 15.00 C ATOM 135 O ALA A 239 -2.007 -3.521 -4.415 1.00 15.00 O ATOM 136 CB ALA A 239 -2.046 -5.398 -1.829 1.00 15.00 C ATOM 0 H ALA A 239 -0.404 -3.393 -2.151 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.594 -6.150 -3.188 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.805 -6.124 -2.121 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.508 -5.767 -0.956 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.526 -4.450 -1.586 1.00 15.00 H new ATOM 142 N MET A 240 -2.194 -5.655 -5.078 1.00 15.00 N ATOM 143 CA MET A 240 -2.838 -5.311 -6.336 1.00 15.00 C ATOM 144 C MET A 240 -4.291 -5.769 -6.330 1.00 15.00 C ATOM 145 O MET A 240 -4.573 -6.962 -6.218 1.00 15.00 O ATOM 146 CB MET A 240 -2.088 -5.957 -7.507 1.00 15.00 C ATOM 147 CG MET A 240 -0.602 -5.628 -7.528 1.00 15.00 C ATOM 148 SD MET A 240 0.271 -6.377 -8.918 1.00 15.00 S ATOM 149 CE MET A 240 -0.500 -5.534 -10.296 1.00 15.00 C ATOM 0 H MET A 240 -2.077 -6.656 -4.922 1.00 15.00 H new ATOM 0 HA MET A 240 -2.813 -4.228 -6.455 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.212 -7.039 -7.456 1.00 15.00 H new ATOM 0 HB3 MET A 240 -2.539 -5.628 -8.443 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.476 -4.546 -7.569 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.148 -5.967 -6.597 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.269 -5.183 -10.984 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.167 -6.222 -10.816 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.072 -4.683 -9.928 1.00 15.00 H new ATOM 159 N THR A 241 -5.211 -4.821 -6.434 1.00 15.00 N ATOM 160 CA THR A 241 -6.623 -5.152 -6.485 1.00 15.00 C ATOM 161 C THR A 241 -7.104 -5.169 -7.931 1.00 15.00 C ATOM 162 O THR A 241 -6.681 -4.338 -8.750 1.00 15.00 O ATOM 163 CB THR A 241 -7.490 -4.176 -5.644 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.874 -4.533 -5.749 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.304 -2.731 -6.087 1.00 15.00 C ATOM 0 H THR A 241 -5.005 -3.823 -6.484 1.00 15.00 H new ATOM 0 HA THR A 241 -6.739 -6.144 -6.048 1.00 15.00 H new ATOM 0 HB THR A 241 -7.163 -4.258 -4.607 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.413 -3.913 -5.214 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.927 -2.080 -5.474 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.258 -2.447 -5.971 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.593 -2.631 -7.133 1.00 15.00 H new ATOM 173 N GLN A 242 -7.995 -6.116 -8.233 1.00 15.00 N ATOM 174 CA GLN A 242 -8.513 -6.311 -9.585 1.00 15.00 C ATOM 175 C GLN A 242 -9.308 -5.088 -10.042 1.00 15.00 C ATOM 176 O GLN A 242 -9.688 -4.978 -11.206 1.00 15.00 O ATOM 177 CB GLN A 242 -9.387 -7.564 -9.655 1.00 15.00 C ATOM 178 CG GLN A 242 -9.627 -8.060 -11.075 1.00 15.00 C ATOM 179 CD GLN A 242 -10.648 -9.176 -11.141 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.581 -9.227 -10.343 1.00 15.00 O ATOM 181 NE2 GLN A 242 -10.473 -10.087 -12.085 1.00 15.00 N ATOM 0 H GLN A 242 -8.376 -6.767 -7.547 1.00 15.00 H new ATOM 0 HA GLN A 242 -7.663 -6.443 -10.255 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -8.916 -8.358 -9.076 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.348 -7.354 -9.185 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -9.964 -7.228 -11.694 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.685 -8.410 -11.497 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -9.686 -10.010 -12.729 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -11.126 -10.866 -12.169 1.00 15.00 H new ATOM 190 N ASP A 243 -9.567 -4.180 -9.106 1.00 15.00 N ATOM 191 CA ASP A 243 -10.223 -2.908 -9.406 1.00 15.00 C ATOM 192 C ASP A 243 -9.363 -2.072 -10.359 1.00 15.00 C ATOM 193 O ASP A 243 -9.803 -1.052 -10.886 1.00 15.00 O ATOM 194 CB ASP A 243 -10.476 -2.137 -8.106 1.00 15.00 C ATOM 195 CG ASP A 243 -11.312 -0.888 -8.304 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.533 -1.019 -8.541 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.766 0.227 -8.192 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.330 -4.303 -8.122 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.177 -3.110 -9.893 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -10.978 -2.793 -7.394 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.519 -1.859 -7.664 1.00 15.00 H new ATOM 202 N GLY A 244 -8.132 -2.524 -10.575 1.00 15.00 N ATOM 203 CA GLY A 244 -7.237 -1.855 -11.497 1.00 15.00 C ATOM 204 C GLY A 244 -6.266 -0.915 -10.809 1.00 15.00 C ATOM 205 O GLY A 244 -5.673 -0.050 -11.461 1.00 15.00 O ATOM 0 H GLY A 244 -7.737 -3.349 -10.123 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.675 -2.603 -12.055 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.826 -1.293 -12.222 1.00 15.00 H new ATOM 209 N GLU A 245 -6.079 -1.091 -9.506 1.00 15.00 N ATOM 210 CA GLU A 245 -5.220 -0.201 -8.738 1.00 15.00 C ATOM 211 C GLU A 245 -4.276 -0.998 -7.850 1.00 15.00 C ATOM 212 O GLU A 245 -4.614 -2.084 -7.374 1.00 15.00 O ATOM 213 CB GLU A 245 -6.055 0.736 -7.861 1.00 15.00 C ATOM 214 CG GLU A 245 -6.989 1.653 -8.636 1.00 15.00 C ATOM 215 CD GLU A 245 -6.252 2.725 -9.414 1.00 15.00 C ATOM 216 OE1 GLU A 245 -5.043 2.920 -9.171 1.00 15.00 O ATOM 217 OE2 GLU A 245 -6.885 3.390 -10.261 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.509 -1.839 -8.962 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.639 0.389 -9.447 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.646 0.136 -7.169 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.382 1.347 -7.259 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -7.586 1.056 -9.326 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.683 2.127 -7.942 1.00 15.00 H new ATOM 224 N ILE A 246 -3.100 -0.448 -7.622 1.00 15.00 N ATOM 225 CA ILE A 246 -2.159 -1.025 -6.682 1.00 15.00 C ATOM 226 C ILE A 246 -2.035 -0.103 -5.478 1.00 15.00 C ATOM 227 O ILE A 246 -1.970 1.115 -5.635 1.00 15.00 O ATOM 228 CB ILE A 246 -0.777 -1.254 -7.331 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.182 0.067 -7.831 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.894 -2.253 -8.472 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.063 -0.101 -8.674 1.00 15.00 C ATOM 0 H ILE A 246 -2.772 0.403 -8.078 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.532 -1.999 -6.366 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.105 -1.661 -6.576 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.936 0.595 -8.415 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.055 0.696 -6.972 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.086 -2.407 -8.923 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.270 -3.201 -8.088 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.582 -1.867 -9.224 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.424 0.878 -8.989 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.835 -0.600 -8.088 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.829 -0.702 -9.553 1.00 15.00 H new ATOM 243 N TYR A 247 -2.041 -0.668 -4.281 1.00 15.00 N ATOM 244 CA TYR A 247 -2.017 0.146 -3.076 1.00 15.00 C ATOM 245 C TYR A 247 -1.035 -0.416 -2.042 1.00 15.00 C ATOM 246 O TYR A 247 -0.889 -1.634 -1.907 1.00 15.00 O ATOM 247 CB TYR A 247 -3.429 0.267 -2.474 1.00 15.00 C ATOM 248 CG TYR A 247 -4.075 -1.042 -2.052 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.535 -1.955 -2.995 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.241 -1.356 -0.706 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.133 -3.141 -2.611 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.841 -2.542 -0.315 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.285 -3.428 -1.272 1.00 15.00 C ATOM 254 OH TYR A 247 -5.880 -4.606 -0.889 1.00 15.00 O ATOM 0 H TYR A 247 -2.062 -1.675 -4.118 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.673 1.142 -3.355 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.380 0.924 -1.606 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.076 0.752 -3.205 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.423 -1.734 -4.046 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.896 -0.663 0.047 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.480 -3.840 -3.358 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.960 -2.771 0.734 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.699 -4.770 0.060 1.00 15.00 H new ATOM 264 N TYR A 248 -0.384 0.479 -1.301 1.00 15.00 N ATOM 265 CA TYR A 248 0.570 0.108 -0.277 1.00 15.00 C ATOM 266 C TYR A 248 -0.069 0.165 1.102 1.00 15.00 C ATOM 267 O TYR A 248 -0.521 1.223 1.549 1.00 15.00 O ATOM 268 CB TYR A 248 1.784 1.037 -0.315 1.00 15.00 C ATOM 269 CG TYR A 248 2.789 0.664 -1.370 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.659 1.109 -2.679 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.866 -0.143 -1.052 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.581 0.756 -3.642 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.790 -0.498 -2.008 1.00 15.00 C ATOM 274 CZ TYR A 248 4.644 -0.048 -3.302 1.00 15.00 C ATOM 275 OH TYR A 248 5.561 -0.408 -4.262 1.00 15.00 O ATOM 0 H TYR A 248 -0.510 1.486 -1.401 1.00 15.00 H new ATOM 0 HA TYR A 248 0.893 -0.914 -0.475 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.445 2.058 -0.491 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.271 1.026 0.660 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.824 1.740 -2.947 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.984 -0.500 -0.039 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.469 1.109 -4.657 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.627 -1.127 -1.745 1.00 15.00 H new ATOM 0 HH TYR A 248 5.194 -0.221 -5.151 1.00 15.00 H new ATOM 285 N ILE A 249 -0.109 -0.974 1.768 1.00 15.00 N ATOM 286 CA ILE A 249 -0.619 -1.050 3.121 1.00 15.00 C ATOM 287 C ILE A 249 0.537 -1.042 4.113 1.00 15.00 C ATOM 288 O ILE A 249 1.351 -1.971 4.137 1.00 15.00 O ATOM 289 CB ILE A 249 -1.483 -2.316 3.321 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.802 -3.536 2.685 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.872 -2.107 2.737 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.626 -4.806 2.736 1.00 15.00 C ATOM 0 H ILE A 249 0.209 -1.866 1.388 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.251 -0.179 3.297 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.586 -2.502 4.390 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.572 -3.308 1.644 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.148 -3.712 3.190 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.468 -3.007 2.886 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.354 -1.266 3.236 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.791 -1.898 1.670 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.072 -5.618 2.266 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.835 -5.063 3.775 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.565 -4.652 2.205 1.00 15.00 H new ATOM 304 N ASN A 250 0.620 0.000 4.930 1.00 15.00 N ATOM 305 CA ASN A 250 1.721 0.120 5.874 1.00 15.00 C ATOM 306 C ASN A 250 1.340 -0.559 7.197 1.00 15.00 C ATOM 307 O ASN A 250 0.566 0.004 7.971 1.00 15.00 O ATOM 308 CB ASN A 250 2.083 1.592 6.114 1.00 15.00 C ATOM 309 CG ASN A 250 3.328 1.771 6.970 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.643 0.946 7.826 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.044 2.861 6.748 1.00 15.00 N ATOM 0 H ASN A 250 -0.054 0.765 4.958 1.00 15.00 H new ATOM 0 HA ASN A 250 2.596 -0.375 5.453 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.237 2.083 5.153 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.243 2.092 6.596 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.887 3.038 7.295 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.754 3.524 6.030 1.00 15.00 H new ATOM 318 N HIS A 251 1.853 -1.779 7.449 1.00 15.00 N ATOM 319 CA HIS A 251 1.454 -2.549 8.618 1.00 15.00 C ATOM 320 C HIS A 251 2.136 -2.037 9.884 1.00 15.00 C ATOM 321 O HIS A 251 1.657 -2.267 10.992 1.00 15.00 O ATOM 322 CB HIS A 251 1.779 -4.038 8.424 1.00 15.00 C ATOM 323 CG HIS A 251 0.956 -4.728 7.367 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.444 -5.060 6.117 1.00 15.00 N ATOM 325 CD2 HIS A 251 -0.326 -5.169 7.389 1.00 15.00 C ATOM 326 CE1 HIS A 251 0.501 -5.666 5.422 1.00 15.00 C ATOM 327 NE2 HIS A 251 -0.585 -5.746 6.168 1.00 15.00 N ATOM 0 H HIS A 251 2.541 -2.241 6.855 1.00 15.00 H new ATOM 0 HA HIS A 251 0.377 -2.428 8.734 1.00 15.00 H new ATOM 0 HB2 HIS A 251 2.833 -4.135 8.166 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.634 -4.554 9.373 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -1.017 -5.083 8.214 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.601 -6.035 4.412 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -1.470 -6.166 5.885 1.00 15.00 H new ATOM 336 N LYS A 252 3.263 -1.356 9.718 1.00 15.00 N ATOM 337 CA LYS A 252 4.035 -0.876 10.859 1.00 15.00 C ATOM 338 C LYS A 252 3.577 0.510 11.325 1.00 15.00 C ATOM 339 O LYS A 252 3.842 0.904 12.460 1.00 15.00 O ATOM 340 CB LYS A 252 5.527 -0.859 10.522 1.00 15.00 C ATOM 341 CG LYS A 252 6.101 -2.246 10.272 1.00 15.00 C ATOM 342 CD LYS A 252 7.580 -2.193 9.930 1.00 15.00 C ATOM 343 CE LYS A 252 8.179 -3.589 9.802 1.00 15.00 C ATOM 344 NZ LYS A 252 7.545 -4.375 8.708 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.662 -1.124 8.808 1.00 15.00 H new ATOM 0 HA LYS A 252 3.861 -1.568 11.683 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.686 -0.242 9.637 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.072 -0.389 11.340 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.955 -2.864 11.158 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.557 -2.723 9.457 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.718 -1.650 8.995 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.113 -1.638 10.702 1.00 15.00 H new ATOM 0 HE2 LYS A 252 9.250 -3.507 9.615 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.060 -4.121 10.746 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.153 -5.183 8.464 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.617 -4.722 9.023 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.422 -3.769 7.872 1.00 15.00 H new ATOM 358 N ASN A 253 2.919 1.257 10.446 1.00 15.00 N ATOM 359 CA ASN A 253 2.424 2.586 10.792 1.00 15.00 C ATOM 360 C ASN A 253 0.899 2.644 10.758 1.00 15.00 C ATOM 361 O ASN A 253 0.303 3.645 11.161 1.00 15.00 O ATOM 362 CB ASN A 253 3.006 3.639 9.844 1.00 15.00 C ATOM 363 CG ASN A 253 4.498 3.851 10.037 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.322 3.163 9.429 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.854 4.811 10.873 1.00 15.00 N ATOM 0 H ASN A 253 2.716 0.966 9.490 1.00 15.00 H new ATOM 0 HA ASN A 253 2.749 2.800 11.810 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.818 3.336 8.814 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.487 4.585 9.998 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.842 5.006 11.035 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.141 5.357 11.356 1.00 15.00 H new ATOM 372 N LYS A 254 0.278 1.571 10.265 1.00 15.00 N ATOM 373 CA LYS A 254 -1.181 1.469 10.182 1.00 15.00 C ATOM 374 C LYS A 254 -1.754 2.566 9.276 1.00 15.00 C ATOM 375 O LYS A 254 -2.866 3.057 9.491 1.00 15.00 O ATOM 376 CB LYS A 254 -1.802 1.566 11.583 1.00 15.00 C ATOM 377 CG LYS A 254 -3.235 1.063 11.654 1.00 15.00 C ATOM 378 CD LYS A 254 -3.943 1.546 12.910 1.00 15.00 C ATOM 379 CE LYS A 254 -4.064 3.063 12.934 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.712 3.591 11.701 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.770 0.750 9.913 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.430 0.500 9.750 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.191 0.995 12.282 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.775 2.605 11.912 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.783 1.402 10.775 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.239 -0.027 11.631 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.936 1.100 12.963 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.395 1.210 13.790 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.643 3.367 13.806 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.073 3.504 13.040 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.975 4.587 11.846 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.049 3.520 10.903 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.566 3.035 11.492 1.00 15.00 H new ATOM 394 N THR A 255 -1.015 2.907 8.228 1.00 15.00 N ATOM 395 CA THR A 255 -1.395 4.006 7.349 1.00 15.00 C ATOM 396 C THR A 255 -1.408 3.547 5.886 1.00 15.00 C ATOM 397 O THR A 255 -0.681 2.623 5.512 1.00 15.00 O ATOM 398 CB THR A 255 -0.456 5.225 7.521 1.00 15.00 C ATOM 399 OG1 THR A 255 -0.955 6.344 6.775 1.00 15.00 O ATOM 400 CG2 THR A 255 0.960 4.903 7.066 1.00 15.00 C ATOM 0 H THR A 255 -0.148 2.438 7.966 1.00 15.00 H new ATOM 0 HA THR A 255 -2.401 4.318 7.630 1.00 15.00 H new ATOM 0 HB THR A 255 -0.429 5.475 8.582 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.354 7.109 6.892 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.593 5.780 7.200 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.354 4.077 7.658 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.949 4.621 6.013 1.00 15.00 H new ATOM 408 N THR A 256 -2.259 4.157 5.070 1.00 15.00 N ATOM 409 CA THR A 256 -2.393 3.753 3.681 1.00 15.00 C ATOM 410 C THR A 256 -1.660 4.723 2.748 1.00 15.00 C ATOM 411 O THR A 256 -1.571 5.920 3.025 1.00 15.00 O ATOM 412 CB THR A 256 -3.876 3.681 3.275 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.689 3.421 4.431 1.00 15.00 O ATOM 414 CG2 THR A 256 -4.097 2.587 2.242 1.00 15.00 C ATOM 0 H THR A 256 -2.864 4.930 5.347 1.00 15.00 H new ATOM 0 HA THR A 256 -1.944 2.765 3.585 1.00 15.00 H new ATOM 0 HB THR A 256 -4.159 4.639 2.839 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.631 3.378 4.165 1.00 15.00 H new ATOM 0 HG21 THR A 256 -5.152 2.553 1.968 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.499 2.797 1.355 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.799 1.626 2.661 1.00 15.00 H new ATOM 422 N SER A 257 -1.130 4.192 1.653 1.00 15.00 N ATOM 423 CA SER A 257 -0.420 4.987 0.655 1.00 15.00 C ATOM 424 C SER A 257 -0.641 4.374 -0.720 1.00 15.00 C ATOM 425 O SER A 257 -0.852 3.176 -0.825 1.00 15.00 O ATOM 426 CB SER A 257 1.074 5.043 0.983 1.00 15.00 C ATOM 427 OG SER A 257 1.778 5.848 0.052 1.00 15.00 O ATOM 0 H SER A 257 -1.180 3.198 1.430 1.00 15.00 H new ATOM 0 HA SER A 257 -0.806 6.006 0.662 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.213 5.441 1.988 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.487 4.034 0.980 1.00 15.00 H new ATOM 0 HG SER A 257 2.729 5.866 0.288 1.00 15.00 H new ATOM 433 N TRP A 258 -0.628 5.185 -1.766 1.00 15.00 N ATOM 434 CA TRP A 258 -0.857 4.671 -3.114 1.00 15.00 C ATOM 435 C TRP A 258 0.380 3.980 -3.701 1.00 15.00 C ATOM 436 O TRP A 258 0.407 2.759 -3.847 1.00 15.00 O ATOM 437 CB TRP A 258 -1.303 5.799 -4.050 1.00 15.00 C ATOM 438 CG TRP A 258 -2.790 5.994 -4.096 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.480 7.153 -3.881 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.774 4.990 -4.381 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.830 6.930 -4.023 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.034 5.611 -4.330 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.707 3.625 -4.678 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.219 4.913 -4.565 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.879 2.937 -4.909 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.120 3.581 -4.853 1.00 15.00 C ATOM 0 H TRP A 258 -0.464 6.190 -1.713 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.646 3.923 -3.031 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.833 6.730 -3.732 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.942 5.588 -5.057 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -3.032 8.104 -3.636 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.561 7.633 -3.917 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.754 3.119 -4.726 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.178 5.407 -4.521 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.839 1.882 -5.137 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.019 3.013 -5.041 1.00 15.00 H new ATOM 457 N LEU A 259 1.397 4.766 -4.018 1.00 15.00 N ATOM 458 CA LEU A 259 2.526 4.298 -4.816 1.00 15.00 C ATOM 459 C LEU A 259 3.870 4.401 -4.106 1.00 15.00 C ATOM 460 O LEU A 259 4.022 5.146 -3.138 1.00 15.00 O ATOM 461 CB LEU A 259 2.559 4.981 -6.175 1.00 15.00 C ATOM 462 CG LEU A 259 1.781 4.227 -7.256 1.00 15.00 C ATOM 463 CD1 LEU A 259 1.892 4.937 -8.593 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.291 2.791 -7.360 1.00 15.00 C ATOM 0 H LEU A 259 1.466 5.743 -3.732 1.00 15.00 H new ATOM 0 HA LEU A 259 2.360 3.232 -4.968 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.149 5.986 -6.078 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.596 5.089 -6.493 1.00 15.00 H new ATOM 0 HG LEU A 259 0.728 4.204 -6.977 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.332 4.384 -9.346 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.485 5.944 -8.505 1.00 15.00 H new ATOM 0 HD13 LEU A 259 2.940 4.994 -8.889 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.732 2.261 -8.131 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.350 2.799 -7.620 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.156 2.287 -6.403 1.00 15.00 H new ATOM 476 N ASP A 260 4.835 3.639 -4.625 1.00 15.00 N ATOM 477 CA ASP A 260 6.150 3.450 -4.009 1.00 15.00 C ATOM 478 C ASP A 260 6.888 4.780 -3.852 1.00 15.00 C ATOM 479 O ASP A 260 7.267 5.428 -4.829 1.00 15.00 O ATOM 480 CB ASP A 260 6.966 2.502 -4.907 1.00 15.00 C ATOM 481 CG ASP A 260 8.352 2.161 -4.379 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.951 2.979 -3.653 1.00 15.00 O ATOM 483 OD2 ASP A 260 8.853 1.067 -4.718 1.00 15.00 O1- ATOM 0 H ASP A 260 4.723 3.127 -5.500 1.00 15.00 H new ATOM 0 HA ASP A 260 6.023 3.026 -3.013 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.405 1.577 -5.040 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.069 2.956 -5.892 1.00 15.00 H new ATOM 488 N PRO A 261 7.063 5.206 -2.590 1.00 15.00 N ATOM 489 CA PRO A 261 7.709 6.474 -2.241 1.00 15.00 C ATOM 490 C PRO A 261 9.237 6.412 -2.276 1.00 15.00 C ATOM 491 O PRO A 261 9.915 7.443 -2.244 1.00 15.00 O ATOM 492 CB PRO A 261 7.215 6.698 -0.814 1.00 15.00 C ATOM 493 CG PRO A 261 7.106 5.326 -0.245 1.00 15.00 C ATOM 494 CD PRO A 261 6.635 4.461 -1.383 1.00 15.00 C ATOM 0 HA PRO A 261 7.464 7.268 -2.946 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.912 7.312 -0.243 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.254 7.212 -0.801 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.066 4.982 0.139 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.402 5.300 0.587 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.084 3.469 -1.344 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.554 4.322 -1.360 1.00 15.00 H new ATOM 502 N ARG A 262 9.765 5.198 -2.323 1.00 15.00 N ATOM 503 CA ARG A 262 11.192 4.968 -2.157 1.00 15.00 C ATOM 504 C ARG A 262 11.963 5.244 -3.452 1.00 15.00 C ATOM 505 O ARG A 262 13.193 5.254 -3.465 1.00 15.00 O ATOM 506 CB ARG A 262 11.432 3.547 -1.622 1.00 15.00 C ATOM 507 CG ARG A 262 12.895 3.170 -1.452 1.00 15.00 C ATOM 508 CD ARG A 262 13.553 3.949 -0.326 1.00 15.00 C ATOM 509 NE ARG A 262 14.917 3.492 -0.073 1.00 15.00 N ATOM 510 CZ ARG A 262 15.499 3.506 1.126 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.855 3.997 2.176 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.729 3.035 1.268 1.00 15.00 N ATOM 0 H ARG A 262 9.220 4.349 -2.476 1.00 15.00 H new ATOM 0 HA ARG A 262 11.579 5.673 -1.421 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.931 3.447 -0.659 1.00 15.00 H new ATOM 0 HB3 ARG A 262 10.964 2.834 -2.301 1.00 15.00 H new ATOM 0 HG2 ARG A 262 12.974 2.102 -1.249 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.429 3.357 -2.384 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.566 5.010 -0.577 1.00 15.00 H new ATOM 0 HD3 ARG A 262 12.960 3.844 0.583 1.00 15.00 H new ATOM 0 HE ARG A 262 15.458 3.140 -0.863 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.910 4.366 2.068 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.304 4.006 3.092 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.229 2.663 0.461 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.176 3.045 2.185 1.00 15.00 H new ATOM 526 N LEU A 263 11.241 5.448 -4.549 1.00 15.00 N ATOM 527 CA LEU A 263 11.879 5.827 -5.810 1.00 15.00 C ATOM 528 C LEU A 263 12.496 7.224 -5.735 1.00 15.00 C ATOM 529 O LEU A 263 13.398 7.548 -6.508 1.00 15.00 O ATOM 530 CB LEU A 263 10.894 5.772 -6.987 1.00 15.00 C ATOM 531 CG LEU A 263 10.809 4.431 -7.722 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.234 3.354 -6.825 1.00 15.00 C ATOM 533 CD2 LEU A 263 9.978 4.576 -8.986 1.00 15.00 C ATOM 0 H LEU A 263 10.226 5.359 -4.594 1.00 15.00 H new ATOM 0 HA LEU A 263 12.672 5.099 -5.980 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.901 6.026 -6.617 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.173 6.542 -7.706 1.00 15.00 H new ATOM 0 HG LEU A 263 11.819 4.129 -8.001 1.00 15.00 H new ATOM 0 HD11 LEU A 263 10.185 2.413 -7.372 1.00 15.00 H new ATOM 0 HD12 LEU A 263 10.871 3.232 -5.949 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.232 3.642 -6.508 1.00 15.00 H new ATOM 0 HD21 LEU A 263 9.925 3.616 -9.499 1.00 15.00 H new ATOM 0 HD22 LEU A 263 8.972 4.903 -8.724 1.00 15.00 H new ATOM 0 HD23 LEU A 263 10.440 5.313 -9.643 1.00 15.00 H new ATOM 545 N ASP A 264 11.989 8.056 -4.828 1.00 15.00 N ATOM 546 CA ASP A 264 12.462 9.441 -4.722 1.00 15.00 C ATOM 547 C ASP A 264 13.934 9.567 -4.284 1.00 15.00 C ATOM 548 O ASP A 264 14.696 10.307 -4.907 1.00 15.00 O ATOM 549 CB ASP A 264 11.557 10.263 -3.796 1.00 15.00 C ATOM 550 CG ASP A 264 12.129 11.636 -3.497 1.00 15.00 C ATOM 551 OD1 ASP A 264 11.960 12.557 -4.326 1.00 15.00 O ATOM 552 OD2 ASP A 264 12.756 11.802 -2.429 1.00 15.00 O1- ATOM 0 H ASP A 264 11.259 7.803 -4.162 1.00 15.00 H new ATOM 0 HA ASP A 264 12.409 9.845 -5.733 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.575 10.374 -4.257 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.411 9.722 -2.861 1.00 15.00 H new ATOM 557 N PRO A 265 14.349 8.892 -3.199 1.00 15.00 N ATOM 558 CA PRO A 265 15.758 8.846 -2.788 1.00 15.00 C ATOM 559 C PRO A 265 16.625 8.095 -3.798 1.00 15.00 C ATOM 560 O PRO A 265 16.634 6.848 -3.771 1.00 15.00 O ATOM 561 CB PRO A 265 15.725 8.101 -1.448 1.00 15.00 C ATOM 562 CG PRO A 265 14.443 7.345 -1.461 1.00 15.00 C ATOM 563 CD PRO A 265 13.486 8.175 -2.261 1.00 15.00 C ATOM 564 OXT PRO A 265 17.293 8.758 -4.620 1.00 15.00 O ATOM 0 HA PRO A 265 16.194 9.843 -2.717 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.578 7.430 -1.348 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.766 8.795 -0.609 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.575 6.360 -1.909 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.072 7.188 -0.448 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.757 7.555 -2.782 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.925 8.862 -1.627 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -8.053 11.047 -4.808 1.00 15.00 N ATOM 574 CA SER B 206 -8.856 9.942 -4.246 1.00 15.00 C ATOM 575 C SER B 206 -8.060 9.175 -3.194 1.00 15.00 C ATOM 576 O SER B 206 -6.964 8.682 -3.470 1.00 15.00 O ATOM 577 CB SER B 206 -9.294 9.004 -5.372 1.00 15.00 C ATOM 578 OG SER B 206 -10.062 9.701 -6.340 1.00 15.00 O ATOM 0 HA SER B 206 -9.739 10.359 -3.762 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.417 8.563 -5.846 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.880 8.183 -4.960 1.00 15.00 H new ATOM 0 HG SER B 206 -9.773 10.637 -6.375 1.00 15.00 H new ATOM 586 N PRO B 207 -8.607 9.071 -1.973 1.00 15.00 N ATOM 587 CA PRO B 207 -7.966 8.356 -0.866 1.00 15.00 C ATOM 588 C PRO B 207 -7.905 6.852 -1.115 1.00 15.00 C ATOM 589 O PRO B 207 -8.882 6.251 -1.567 1.00 15.00 O ATOM 590 CB PRO B 207 -8.871 8.655 0.340 1.00 15.00 C ATOM 591 CG PRO B 207 -9.749 9.781 -0.088 1.00 15.00 C ATOM 592 CD PRO B 207 -9.902 9.637 -1.571 1.00 15.00 C ATOM 0 HA PRO B 207 -6.933 8.674 -0.726 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.461 7.780 0.614 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.281 8.928 1.215 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.717 9.734 0.411 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.304 10.743 0.168 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.731 8.978 -1.831 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.093 10.595 -2.054 1.00 15.00 H new ATOM 600 N PRO B 208 -6.755 6.229 -0.816 1.00 15.00 N ATOM 601 CA PRO B 208 -6.574 4.784 -0.967 1.00 15.00 C ATOM 602 C PRO B 208 -7.484 4.009 -0.021 1.00 15.00 C ATOM 603 O PRO B 208 -7.751 4.466 1.096 1.00 15.00 O ATOM 604 CB PRO B 208 -5.099 4.551 -0.598 1.00 15.00 C ATOM 605 CG PRO B 208 -4.461 5.900 -0.612 1.00 15.00 C ATOM 606 CD PRO B 208 -5.547 6.885 -0.295 1.00 15.00 C ATOM 0 HA PRO B 208 -6.823 4.443 -1.972 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.010 4.086 0.384 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.618 3.883 -1.312 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.658 5.957 0.123 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.018 6.110 -1.586 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.621 7.073 0.776 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.371 7.847 -0.776 1.00 15.00 H new ATOM 614 N PRO B 209 -7.963 2.829 -0.449 1.00 15.00 N ATOM 615 CA PRO B 209 -8.819 1.969 0.370 1.00 15.00 C ATOM 616 C PRO B 209 -8.239 1.770 1.765 1.00 15.00 C ATOM 617 O PRO B 209 -7.063 1.439 1.907 1.00 15.00 O ATOM 618 CB PRO B 209 -8.847 0.636 -0.395 1.00 15.00 C ATOM 619 CG PRO B 209 -7.825 0.769 -1.477 1.00 15.00 C ATOM 620 CD PRO B 209 -7.718 2.236 -1.763 1.00 15.00 C ATOM 0 HA PRO B 209 -9.810 2.398 0.518 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.612 -0.199 0.265 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.836 0.444 -0.812 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.865 0.362 -1.160 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.126 0.218 -2.368 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.736 2.504 -2.153 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.453 2.561 -2.499 1.00 15.00 H new ATOM 628 N PRO B 210 -9.066 1.985 2.802 1.00 15.00 N ATOM 629 CA PRO B 210 -8.628 1.968 4.202 1.00 15.00 C ATOM 630 C PRO B 210 -7.805 0.736 4.565 1.00 15.00 C ATOM 631 O PRO B 210 -8.210 -0.393 4.308 1.00 15.00 O ATOM 632 CB PRO B 210 -9.942 1.973 4.982 1.00 15.00 C ATOM 633 CG PRO B 210 -10.913 2.642 4.077 1.00 15.00 C ATOM 634 CD PRO B 210 -10.511 2.249 2.682 1.00 15.00 C ATOM 0 HA PRO B 210 -7.971 2.810 4.421 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.261 0.960 5.227 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.842 2.512 5.924 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.933 2.324 4.294 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.883 3.724 4.202 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -11.053 1.367 2.341 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.716 3.045 1.966 1.00 15.00 H new ATOM 642 N TYR B 211 -6.654 0.978 5.189 1.00 15.00 N ATOM 643 CA TYR B 211 -5.755 -0.086 5.633 1.00 15.00 C ATOM 644 C TYR B 211 -6.420 -1.011 6.667 1.00 15.00 C ATOM 645 O TYR B 211 -5.894 -2.081 6.984 1.00 15.00 O ATOM 646 CB TYR B 211 -4.472 0.540 6.209 1.00 15.00 C ATOM 647 CG TYR B 211 -3.628 -0.410 7.029 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.812 -1.354 6.423 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.672 -0.374 8.416 1.00 15.00 C ATOM 650 CE1 TYR B 211 -2.066 -2.238 7.178 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.924 -1.249 9.174 1.00 15.00 C ATOM 652 CZ TYR B 211 -2.127 -2.179 8.553 1.00 15.00 C ATOM 653 OH TYR B 211 -1.395 -3.061 9.314 1.00 15.00 O ATOM 0 H TYR B 211 -6.318 1.917 5.401 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.507 -0.705 4.771 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.869 0.925 5.387 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.745 1.393 6.830 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.759 -1.398 5.345 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.302 0.351 8.909 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.439 -2.971 6.693 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.965 -1.203 10.252 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.552 -2.881 10.265 1.00 15.00 H new ATOM 663 N SER B 212 -7.581 -0.609 7.173 1.00 15.00 N ATOM 664 CA SER B 212 -8.267 -1.373 8.204 1.00 15.00 C ATOM 665 C SER B 212 -8.593 -2.777 7.707 1.00 15.00 C ATOM 666 O SER B 212 -8.391 -3.761 8.424 1.00 15.00 O ATOM 667 CB SER B 212 -9.539 -0.645 8.640 1.00 15.00 C ATOM 668 OG SER B 212 -10.277 -0.190 7.518 1.00 15.00 O ATOM 0 H SER B 212 -8.065 0.241 6.885 1.00 15.00 H new ATOM 0 HA SER B 212 -7.606 -1.465 9.066 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.157 -1.314 9.239 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.278 0.202 9.275 1.00 15.00 H new ATOM 0 HG SER B 212 -11.086 0.270 7.824 1.00 15.00 H new ATOM 674 N ARG B 213 -9.127 -2.870 6.499 1.00 15.00 N ATOM 675 CA ARG B 213 -9.265 -4.151 5.834 1.00 15.00 C ATOM 676 C ARG B 213 -9.184 -3.973 4.326 1.00 15.00 C ATOM 677 O ARG B 213 -9.371 -2.872 3.817 1.00 15.00 O ATOM 678 CB ARG B 213 -10.559 -4.857 6.216 1.00 15.00 C ATOM 679 CG ARG B 213 -10.414 -6.363 6.145 1.00 15.00 C ATOM 680 CD ARG B 213 -9.838 -6.928 7.436 1.00 15.00 C ATOM 681 NE ARG B 213 -10.669 -6.615 8.600 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.456 -7.101 9.822 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.453 -7.942 10.042 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.255 -6.758 10.825 1.00 15.00 N ATOM 0 H ARG B 213 -9.471 -2.074 5.962 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.441 -4.782 6.166 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.849 -4.566 7.226 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.360 -4.536 5.550 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.387 -6.815 5.951 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.767 -6.629 5.309 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.739 -8.010 7.344 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.836 -6.528 7.590 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.460 -5.986 8.467 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.842 -8.219 9.274 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.294 -8.312 10.979 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.034 -6.121 10.661 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.090 -7.132 11.760 1.00 15.00 H new ATOM 698 N TYR B 214 -8.969 -5.067 3.612 1.00 15.00 N ATOM 699 CA TYR B 214 -8.681 -4.998 2.188 1.00 15.00 C ATOM 700 C TYR B 214 -9.982 -5.061 1.399 1.00 15.00 C ATOM 701 O TYR B 214 -10.859 -5.872 1.697 1.00 15.00 O ATOM 702 CB TYR B 214 -7.731 -6.143 1.775 1.00 15.00 C ATOM 703 CG TYR B 214 -6.522 -6.310 2.691 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.253 -5.382 3.685 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.677 -7.410 2.584 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.195 -5.530 4.541 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.597 -7.565 3.441 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.363 -6.620 4.421 1.00 15.00 C ATOM 709 OH TYR B 214 -3.299 -6.765 5.286 1.00 15.00 O ATOM 0 H TYR B 214 -8.988 -6.012 3.995 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.184 -4.053 1.968 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.292 -7.078 1.757 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.381 -5.962 0.759 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.895 -4.520 3.787 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.864 -8.153 1.823 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.013 -4.793 5.309 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.943 -8.419 3.343 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.811 -7.586 5.069 1.00 15.00 H new ATOM 719 N PRO B 215 -10.111 -4.215 0.364 1.00 15.00 N ATOM 720 CA PRO B 215 -11.351 -4.074 -0.419 1.00 15.00 C ATOM 721 C PRO B 215 -11.655 -5.282 -1.309 1.00 15.00 C ATOM 722 O PRO B 215 -12.530 -5.222 -2.173 1.00 15.00 O ATOM 723 CB PRO B 215 -11.077 -2.841 -1.280 1.00 15.00 C ATOM 724 CG PRO B 215 -9.597 -2.814 -1.432 1.00 15.00 C ATOM 725 CD PRO B 215 -9.046 -3.320 -0.129 1.00 15.00 C ATOM 0 HA PRO B 215 -12.222 -3.991 0.231 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.574 -2.914 -2.247 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.443 -1.933 -0.801 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -9.277 -3.443 -2.263 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.243 -1.805 -1.641 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.106 -3.853 -0.270 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.850 -2.506 0.568 1.00 15.00 H new ATOM 733 N MET B 216 -10.940 -6.373 -1.090 1.00 15.00 N ATOM 734 CA MET B 216 -11.158 -7.595 -1.843 1.00 15.00 C ATOM 735 C MET B 216 -10.818 -8.806 -0.978 1.00 15.00 C ATOM 736 O MET B 216 -9.664 -9.002 -0.592 1.00 15.00 O ATOM 737 CB MET B 216 -10.322 -7.588 -3.129 1.00 15.00 C ATOM 738 CG MET B 216 -10.516 -8.820 -4.000 1.00 15.00 C ATOM 739 SD MET B 216 -9.839 -8.602 -5.658 1.00 15.00 S ATOM 740 CE MET B 216 -10.907 -7.303 -6.278 1.00 15.00 C ATOM 0 H MET B 216 -10.199 -6.436 -0.392 1.00 15.00 H new ATOM 0 HA MET B 216 -12.209 -7.656 -2.126 1.00 15.00 H new ATOM 0 HB2 MET B 216 -10.576 -6.701 -3.710 1.00 15.00 H new ATOM 0 HB3 MET B 216 -9.268 -7.505 -2.864 1.00 15.00 H new ATOM 0 HG2 MET B 216 -10.038 -9.677 -3.525 1.00 15.00 H new ATOM 0 HG3 MET B 216 -11.580 -9.047 -4.072 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.409 -7.646 -7.183 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.652 -7.052 -5.522 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.311 -6.420 -6.507 1.00 15.00 H new ATOM 750 N ASP B 217 -11.838 -9.586 -0.651 1.00 15.00 N ATOM 751 CA ASP B 217 -11.667 -10.775 0.177 1.00 15.00 C ATOM 752 C ASP B 217 -12.186 -12.001 -0.558 1.00 15.00 C ATOM 753 O ASP B 217 -11.364 -12.847 -0.955 1.00 15.00 O ATOM 754 CB ASP B 217 -12.387 -10.616 1.521 1.00 15.00 C ATOM 755 CG ASP B 217 -12.238 -11.837 2.408 1.00 15.00 C ATOM 756 OD1 ASP B 217 -11.233 -11.920 3.145 1.00 15.00 O ATOM 757 OD2 ASP B 217 -13.126 -12.718 2.382 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -13.416 -12.099 -0.762 1.00 15.00 O ATOM 0 H ASP B 217 -12.799 -9.417 -0.948 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.603 -10.904 0.377 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.991 -9.743 2.040 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.446 -10.428 1.342 1.00 15.00 H new TER 763 ASP B 217