USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 353 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= 0.491 F(o=-2.2,f=-0.44) USER MOD Set 1.2: B 211 TYR OH : rot 3:sc= -0.93! USER MOD Set 2.1: A 250 ASN : amide:sc= 1.14 K(o=1.3,f=-14!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.187 K(o=1.3,f=-5.9!) USER MOD Set 3.1: A 238 GLN :FLIP amide:sc= -0.97 F(o=-1.8,f=-1.3) USER MOD Set 3.2: A 248 TYR OH : rot -57:sc= -0.317 USER MOD Single : A 240 MET CE :methyl -160:sc= -0.126 (180deg=-0.695) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 149:sc= -1.26 USER MOD Single : A 252 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.135) USER MOD Single : A 254 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 130:sc= 0.0339 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 41:sc= 0.149 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0169 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.354 -0.709 -6.258 1.00 15.00 N ATOM 2 CA GLY A 230 11.695 -1.126 -5.783 1.00 15.00 C ATOM 3 C GLY A 230 11.623 -1.742 -4.404 1.00 15.00 C ATOM 4 O GLY A 230 10.560 -2.200 -3.996 1.00 15.00 O ATOM 0 HA2 GLY A 230 12.124 -1.844 -6.482 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.361 -0.263 -5.764 1.00 15.00 H new ATOM 10 N PRO A 231 12.740 -1.783 -3.664 1.00 15.00 N ATOM 11 CA PRO A 231 12.755 -2.284 -2.293 1.00 15.00 C ATOM 12 C PRO A 231 12.152 -1.270 -1.327 1.00 15.00 C ATOM 13 O PRO A 231 12.655 -0.151 -1.197 1.00 15.00 O ATOM 14 CB PRO A 231 14.247 -2.499 -1.985 1.00 15.00 C ATOM 15 CG PRO A 231 14.977 -2.224 -3.264 1.00 15.00 C ATOM 16 CD PRO A 231 14.074 -1.360 -4.096 1.00 15.00 C ATOM 0 HA PRO A 231 12.164 -3.193 -2.183 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.582 -1.829 -1.193 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.432 -3.517 -1.642 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.924 -1.720 -3.069 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.211 -3.153 -3.784 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.243 -0.299 -3.910 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.226 -1.524 -5.163 1.00 15.00 H new ATOM 24 N LEU A 232 11.071 -1.647 -0.661 1.00 15.00 N ATOM 25 CA LEU A 232 10.385 -0.725 0.231 1.00 15.00 C ATOM 26 C LEU A 232 11.043 -0.666 1.600 1.00 15.00 C ATOM 27 O LEU A 232 11.798 -1.564 1.967 1.00 15.00 O ATOM 28 CB LEU A 232 8.885 -1.014 0.399 1.00 15.00 C ATOM 29 CG LEU A 232 8.018 -0.638 -0.791 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.252 0.798 -1.206 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.246 -1.575 -1.962 1.00 15.00 C ATOM 0 H LEU A 232 10.653 -2.576 -0.720 1.00 15.00 H new ATOM 0 HA LEU A 232 10.474 0.244 -0.260 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.756 -2.077 0.601 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.524 -0.477 1.276 1.00 15.00 H new ATOM 0 HG LEU A 232 6.979 -0.738 -0.479 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.618 1.038 -2.060 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.009 1.461 -0.376 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.298 0.931 -1.482 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.610 -1.277 -2.796 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.291 -1.527 -2.268 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.001 -2.595 -1.665 1.00 15.00 H new ATOM 43 N PRO A 233 10.773 0.408 2.376 1.00 15.00 N ATOM 44 CA PRO A 233 11.328 0.590 3.733 1.00 15.00 C ATOM 45 C PRO A 233 10.941 -0.542 4.697 1.00 15.00 C ATOM 46 O PRO A 233 11.405 -0.576 5.836 1.00 15.00 O ATOM 47 CB PRO A 233 10.702 1.919 4.168 1.00 15.00 C ATOM 48 CG PRO A 233 10.482 2.626 2.888 1.00 15.00 C ATOM 49 CD PRO A 233 9.901 1.560 2.027 1.00 15.00 C ATOM 0 HA PRO A 233 12.418 0.582 3.741 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.768 1.766 4.709 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.364 2.479 4.828 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.802 3.471 3.002 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.412 3.019 2.476 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.853 1.369 2.258 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.953 1.811 0.968 1.00 15.00 H new ATOM 57 N ASP A 234 10.017 -1.403 4.240 1.00 15.00 N ATOM 58 CA ASP A 234 9.585 -2.616 4.961 1.00 15.00 C ATOM 59 C ASP A 234 8.498 -2.301 5.975 1.00 15.00 C ATOM 60 O ASP A 234 8.102 -3.151 6.774 1.00 15.00 O ATOM 61 CB ASP A 234 10.754 -3.343 5.645 1.00 15.00 C ATOM 62 CG ASP A 234 11.736 -3.953 4.661 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.300 -4.689 3.748 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.956 -3.720 4.811 1.00 15.00 O1- ATOM 0 H ASP A 234 9.541 -1.276 3.347 1.00 15.00 H new ATOM 0 HA ASP A 234 9.176 -3.289 4.207 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.283 -2.641 6.289 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.358 -4.129 6.288 1.00 15.00 H new ATOM 69 N GLY A 235 7.987 -1.085 5.914 1.00 15.00 N ATOM 70 CA GLY A 235 6.817 -0.745 6.690 1.00 15.00 C ATOM 71 C GLY A 235 5.551 -1.067 5.932 1.00 15.00 C ATOM 72 O GLY A 235 4.517 -1.363 6.527 1.00 15.00 O ATOM 0 H GLY A 235 8.360 -0.328 5.342 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.830 -1.293 7.632 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.837 0.316 6.938 1.00 15.00 H new ATOM 76 N TRP A 236 5.652 -1.047 4.609 1.00 15.00 N ATOM 77 CA TRP A 236 4.503 -1.244 3.740 1.00 15.00 C ATOM 78 C TRP A 236 4.744 -2.197 2.585 1.00 15.00 C ATOM 79 O TRP A 236 5.846 -2.298 2.046 1.00 15.00 O ATOM 80 CB TRP A 236 3.937 0.088 3.239 1.00 15.00 C ATOM 81 CG TRP A 236 4.909 1.227 3.098 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.257 1.191 2.866 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.562 2.608 3.215 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.760 2.469 2.858 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.736 3.356 3.066 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.358 3.280 3.438 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.745 4.751 3.139 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.364 4.659 3.505 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.551 5.382 3.359 1.00 15.00 C ATOM 0 H TRP A 236 6.529 -0.894 4.112 1.00 15.00 H new ATOM 0 HA TRP A 236 3.758 -1.728 4.371 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.472 -0.084 2.268 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.146 0.399 3.921 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.838 0.293 2.712 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.739 2.718 2.719 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.436 2.729 3.556 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.661 5.311 3.026 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.437 5.187 3.673 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.525 6.460 3.421 1.00 15.00 H new ATOM 100 N GLU A 237 3.652 -2.854 2.203 1.00 15.00 N ATOM 101 CA GLU A 237 3.646 -3.897 1.191 1.00 15.00 C ATOM 102 C GLU A 237 2.634 -3.518 0.104 1.00 15.00 C ATOM 103 O GLU A 237 1.533 -3.062 0.420 1.00 15.00 O ATOM 104 CB GLU A 237 3.241 -5.217 1.870 1.00 15.00 C ATOM 105 CG GLU A 237 3.830 -6.471 1.247 1.00 15.00 C ATOM 106 CD GLU A 237 3.345 -6.727 -0.162 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.249 -7.302 -0.322 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.064 -6.364 -1.117 1.00 15.00 O ATOM 0 H GLU A 237 2.730 -2.670 2.599 1.00 15.00 H new ATOM 0 HA GLU A 237 4.629 -4.011 0.733 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.541 -5.175 2.917 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.154 -5.298 1.852 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.917 -6.388 1.240 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.580 -7.329 1.871 1.00 15.00 H new ATOM 115 N GLN A 238 2.993 -3.717 -1.161 1.00 15.00 N ATOM 116 CA GLN A 238 2.125 -3.325 -2.270 1.00 15.00 C ATOM 117 C GLN A 238 1.178 -4.469 -2.660 1.00 15.00 C ATOM 118 O GLN A 238 1.612 -5.484 -3.210 1.00 15.00 O ATOM 119 CB GLN A 238 2.959 -2.897 -3.489 1.00 15.00 C ATOM 120 CG GLN A 238 2.167 -2.807 -4.784 1.00 15.00 C ATOM 121 CD GLN A 238 3.055 -2.627 -6.002 1.00 15.00 C ATOM 122 OE1 GLN A 238 4.154 -1.904 -5.846 1.00 15.00 O flip ATOM 123 NE2 GLN A 238 2.744 -3.118 -7.086 1.00 15.00 N flip ATOM 0 H GLN A 238 3.874 -4.145 -1.444 1.00 15.00 H new ATOM 0 HA GLN A 238 1.526 -2.477 -1.938 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.410 -1.926 -3.284 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.776 -3.606 -3.624 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.571 -3.712 -4.904 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.469 -1.972 -4.721 1.00 15.00 H new ATOM 0 HE21 GLN A 238 1.890 -3.670 -7.170 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.340 -2.974 -7.901 1.00 15.00 H new ATOM 132 N ALA A 239 -0.110 -4.317 -2.360 1.00 15.00 N ATOM 133 CA ALA A 239 -1.106 -5.301 -2.748 1.00 15.00 C ATOM 134 C ALA A 239 -1.944 -4.766 -3.903 1.00 15.00 C ATOM 135 O ALA A 239 -2.127 -3.556 -4.031 1.00 15.00 O ATOM 136 CB ALA A 239 -1.986 -5.659 -1.562 1.00 15.00 C ATOM 0 H ALA A 239 -0.485 -3.518 -1.848 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.599 -6.207 -3.079 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.727 -6.397 -1.869 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.370 -6.073 -0.764 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.493 -4.764 -1.202 1.00 15.00 H new ATOM 142 N MET A 240 -2.435 -5.656 -4.750 1.00 15.00 N ATOM 143 CA MET A 240 -3.203 -5.254 -5.920 1.00 15.00 C ATOM 144 C MET A 240 -4.693 -5.473 -5.686 1.00 15.00 C ATOM 145 O MET A 240 -5.122 -6.584 -5.372 1.00 15.00 O ATOM 146 CB MET A 240 -2.754 -6.050 -7.152 1.00 15.00 C ATOM 147 CG MET A 240 -1.277 -5.903 -7.474 1.00 15.00 C ATOM 148 SD MET A 240 -0.794 -6.806 -8.960 1.00 15.00 S ATOM 149 CE MET A 240 -1.224 -8.484 -8.495 1.00 15.00 C ATOM 0 H MET A 240 -2.316 -6.664 -4.650 1.00 15.00 H new ATOM 0 HA MET A 240 -3.025 -4.193 -6.094 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.978 -7.105 -6.993 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.338 -5.727 -8.014 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.041 -4.847 -7.603 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.688 -6.260 -6.629 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.681 -9.187 -9.126 1.00 15.00 H new ATOM 0 HE2 MET A 240 -0.957 -8.652 -7.452 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.296 -8.634 -8.624 1.00 15.00 H new ATOM 159 N THR A 241 -5.479 -4.413 -5.832 1.00 15.00 N ATOM 160 CA THR A 241 -6.923 -4.524 -5.710 1.00 15.00 C ATOM 161 C THR A 241 -7.534 -4.718 -7.103 1.00 15.00 C ATOM 162 O THR A 241 -6.984 -4.232 -8.100 1.00 15.00 O ATOM 163 CB THR A 241 -7.535 -3.286 -4.998 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.840 -3.591 -4.493 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.620 -2.083 -5.926 1.00 15.00 C ATOM 0 H THR A 241 -5.141 -3.472 -6.034 1.00 15.00 H new ATOM 0 HA THR A 241 -7.156 -5.390 -5.091 1.00 15.00 H new ATOM 0 HB THR A 241 -6.872 -3.033 -4.171 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.211 -2.801 -4.046 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.053 -1.239 -5.389 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.621 -1.819 -6.271 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.247 -2.328 -6.783 1.00 15.00 H new ATOM 173 N GLN A 242 -8.664 -5.421 -7.166 1.00 15.00 N ATOM 174 CA GLN A 242 -9.259 -5.843 -8.437 1.00 15.00 C ATOM 175 C GLN A 242 -9.741 -4.648 -9.265 1.00 15.00 C ATOM 176 O GLN A 242 -9.942 -4.759 -10.478 1.00 15.00 O ATOM 177 CB GLN A 242 -10.410 -6.820 -8.175 1.00 15.00 C ATOM 178 CG GLN A 242 -11.050 -7.382 -9.435 1.00 15.00 C ATOM 179 CD GLN A 242 -12.082 -8.450 -9.136 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.767 -9.640 -9.087 1.00 15.00 O ATOM 181 NE2 GLN A 242 -13.319 -8.034 -8.922 1.00 15.00 N ATOM 0 H GLN A 242 -9.192 -5.714 -6.344 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.487 -6.347 -9.019 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.039 -7.647 -7.570 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.175 -6.313 -7.587 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.521 -6.572 -9.991 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.275 -7.800 -10.077 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.538 -7.039 -8.972 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -14.054 -8.708 -8.707 1.00 15.00 H new ATOM 190 N ASP A 243 -9.941 -3.517 -8.601 1.00 15.00 N ATOM 191 CA ASP A 243 -10.258 -2.258 -9.277 1.00 15.00 C ATOM 192 C ASP A 243 -9.133 -1.857 -10.240 1.00 15.00 C ATOM 193 O ASP A 243 -9.310 -0.998 -11.104 1.00 15.00 O ATOM 194 CB ASP A 243 -10.489 -1.151 -8.242 1.00 15.00 C ATOM 195 CG ASP A 243 -11.012 0.139 -8.847 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.239 0.242 -9.069 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.205 1.062 -9.085 1.00 15.00 O ATOM 0 H ASP A 243 -9.889 -3.442 -7.585 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.170 -2.399 -9.858 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.197 -1.506 -7.493 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.552 -0.947 -7.724 1.00 15.00 H new ATOM 202 N GLY A 244 -7.976 -2.496 -10.091 1.00 15.00 N ATOM 203 CA GLY A 244 -6.852 -2.219 -10.964 1.00 15.00 C ATOM 204 C GLY A 244 -5.907 -1.186 -10.384 1.00 15.00 C ATOM 205 O GLY A 244 -5.314 -0.399 -11.117 1.00 15.00 O ATOM 0 H GLY A 244 -7.798 -3.203 -9.378 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.305 -3.143 -11.151 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.222 -1.868 -11.927 1.00 15.00 H new ATOM 209 N GLU A 245 -5.761 -1.195 -9.067 1.00 15.00 N ATOM 210 CA GLU A 245 -4.918 -0.225 -8.378 1.00 15.00 C ATOM 211 C GLU A 245 -4.100 -0.918 -7.297 1.00 15.00 C ATOM 212 O GLU A 245 -4.610 -1.772 -6.571 1.00 15.00 O ATOM 213 CB GLU A 245 -5.776 0.878 -7.753 1.00 15.00 C ATOM 214 CG GLU A 245 -6.429 1.811 -8.762 1.00 15.00 C ATOM 215 CD GLU A 245 -5.464 2.832 -9.328 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.640 2.470 -10.194 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -5.528 4.008 -8.911 1.00 15.00 O ATOM 0 H GLU A 245 -6.218 -1.867 -8.450 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.241 0.225 -9.105 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.555 0.416 -7.146 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.154 1.468 -7.079 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -6.847 1.221 -9.578 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.261 2.329 -8.285 1.00 15.00 H new ATOM 224 N ILE A 246 -2.837 -0.550 -7.188 1.00 15.00 N ATOM 225 CA ILE A 246 -1.961 -1.129 -6.181 1.00 15.00 C ATOM 226 C ILE A 246 -1.863 -0.206 -4.966 1.00 15.00 C ATOM 227 O ILE A 246 -1.722 1.005 -5.116 1.00 15.00 O ATOM 228 CB ILE A 246 -0.555 -1.405 -6.759 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.072 -0.117 -7.307 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.638 -2.466 -7.849 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.367 -0.339 -8.057 1.00 15.00 C ATOM 0 H ILE A 246 -2.392 0.148 -7.784 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.391 -2.080 -5.867 1.00 15.00 H new ATOM 0 HB ILE A 246 0.083 -1.775 -5.957 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.642 0.370 -7.971 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.255 0.568 -6.479 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.358 -2.654 -8.250 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.040 -3.388 -7.429 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.291 -2.116 -8.648 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.749 0.617 -8.414 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.099 -0.797 -7.392 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.187 -0.998 -8.907 1.00 15.00 H new ATOM 243 N TYR A 247 -1.959 -0.775 -3.769 1.00 15.00 N ATOM 244 CA TYR A 247 -1.948 0.019 -2.548 1.00 15.00 C ATOM 245 C TYR A 247 -0.939 -0.553 -1.545 1.00 15.00 C ATOM 246 O TYR A 247 -0.832 -1.772 -1.395 1.00 15.00 O ATOM 247 CB TYR A 247 -3.353 0.064 -1.916 1.00 15.00 C ATOM 248 CG TYR A 247 -3.930 -1.295 -1.557 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.457 -2.132 -2.535 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.945 -1.740 -0.239 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.978 -3.370 -2.211 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.465 -2.981 0.092 1.00 15.00 C ATOM 253 CZ TYR A 247 -4.979 -3.789 -0.900 1.00 15.00 C ATOM 254 OH TYR A 247 -5.495 -5.022 -0.581 1.00 15.00 O ATOM 0 H TYR A 247 -2.045 -1.780 -3.619 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.650 1.035 -2.806 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.312 0.676 -1.015 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.033 0.561 -2.608 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.459 -1.809 -3.565 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.545 -1.107 0.539 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.383 -4.007 -2.984 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.468 -3.313 1.120 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.019 -5.385 0.195 1.00 15.00 H new ATOM 264 N TYR A 248 -0.211 0.321 -0.852 1.00 15.00 N ATOM 265 CA TYR A 248 0.730 -0.098 0.171 1.00 15.00 C ATOM 266 C TYR A 248 0.086 -0.071 1.545 1.00 15.00 C ATOM 267 O TYR A 248 -0.365 0.977 2.011 1.00 15.00 O ATOM 268 CB TYR A 248 1.965 0.803 0.174 1.00 15.00 C ATOM 269 CG TYR A 248 2.969 0.441 -0.884 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.839 0.893 -2.191 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.043 -0.372 -0.572 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.757 0.538 -3.157 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.959 -0.726 -1.531 1.00 15.00 C ATOM 274 CZ TYR A 248 4.812 -0.273 -2.821 1.00 15.00 C ATOM 275 OH TYR A 248 5.728 -0.630 -3.780 1.00 15.00 O ATOM 0 H TYR A 248 -0.260 1.331 -0.986 1.00 15.00 H new ATOM 0 HA TYR A 248 1.032 -1.120 -0.060 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.652 1.837 0.029 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.443 0.749 1.152 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.008 1.531 -2.454 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.163 -0.733 0.439 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.647 0.895 -4.170 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.794 -1.360 -1.273 1.00 15.00 H new ATOM 0 HH TYR A 248 5.268 -1.074 -4.523 1.00 15.00 H new ATOM 285 N ILE A 249 0.037 -1.226 2.180 1.00 15.00 N ATOM 286 CA ILE A 249 -0.425 -1.322 3.548 1.00 15.00 C ATOM 287 C ILE A 249 0.752 -1.155 4.502 1.00 15.00 C ATOM 288 O ILE A 249 1.620 -2.027 4.593 1.00 15.00 O ATOM 289 CB ILE A 249 -1.136 -2.670 3.808 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.305 -3.835 3.254 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.526 -2.660 3.191 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.914 -5.197 3.508 1.00 15.00 C ATOM 0 H ILE A 249 0.314 -2.116 1.765 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.148 -0.525 3.721 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.237 -2.807 4.885 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.178 -3.699 2.180 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.689 -3.803 3.699 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.016 -3.615 3.381 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.115 -1.856 3.633 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.446 -2.502 2.116 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.269 -5.968 3.087 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.016 -5.355 4.582 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.896 -5.250 3.039 1.00 15.00 H new ATOM 304 N ASN A 250 0.792 -0.034 5.206 1.00 15.00 N ATOM 305 CA ASN A 250 1.894 0.236 6.114 1.00 15.00 C ATOM 306 C ASN A 250 1.555 -0.322 7.505 1.00 15.00 C ATOM 307 O ASN A 250 0.669 0.213 8.175 1.00 15.00 O ATOM 308 CB ASN A 250 2.166 1.746 6.209 1.00 15.00 C ATOM 309 CG ASN A 250 3.395 2.083 7.042 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.757 1.365 7.972 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.041 3.189 6.718 1.00 15.00 N ATOM 0 H ASN A 250 0.081 0.696 5.167 1.00 15.00 H new ATOM 0 HA ASN A 250 2.792 -0.249 5.731 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.294 2.149 5.205 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.295 2.239 6.642 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.867 3.470 7.246 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.713 3.762 5.940 1.00 15.00 H new ATOM 318 N HIS A 251 2.243 -1.395 7.941 1.00 15.00 N ATOM 319 CA HIS A 251 1.917 -2.059 9.193 1.00 15.00 C ATOM 320 C HIS A 251 2.525 -1.313 10.374 1.00 15.00 C ATOM 321 O HIS A 251 2.173 -1.559 11.528 1.00 15.00 O ATOM 322 CB HIS A 251 2.429 -3.508 9.183 1.00 15.00 C ATOM 323 CG HIS A 251 1.841 -4.374 8.105 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.633 -4.978 8.016 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.523 -4.721 6.951 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.605 -5.666 6.828 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.756 -5.493 6.206 1.00 15.00 N flip ATOM 0 H HIS A 251 3.026 -1.811 7.436 1.00 15.00 H new ATOM 0 HA HIS A 251 0.832 -2.063 9.298 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.513 -3.495 9.069 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.216 -3.961 10.151 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.526 -4.408 6.700 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.224 -6.253 6.462 1.00 15.00 H new ATOM 0 HE2 HIS A 251 2.010 -5.890 5.301 1.00 15.00 H new ATOM 336 N LYS A 252 3.456 -0.416 10.083 1.00 15.00 N ATOM 337 CA LYS A 252 4.140 0.335 11.126 1.00 15.00 C ATOM 338 C LYS A 252 3.359 1.594 11.487 1.00 15.00 C ATOM 339 O LYS A 252 3.165 1.901 12.663 1.00 15.00 O ATOM 340 CB LYS A 252 5.554 0.725 10.682 1.00 15.00 C ATOM 341 CG LYS A 252 6.447 -0.451 10.310 1.00 15.00 C ATOM 342 CD LYS A 252 6.642 -1.409 11.475 1.00 15.00 C ATOM 343 CE LYS A 252 7.785 -2.381 11.216 1.00 15.00 C ATOM 344 NZ LYS A 252 7.603 -3.146 9.951 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.755 -0.191 9.134 1.00 15.00 H new ATOM 0 HA LYS A 252 4.208 -0.308 12.003 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.480 1.394 9.825 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.031 1.287 11.485 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.008 -0.988 9.469 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.417 -0.079 9.980 1.00 15.00 H new ATOM 0 HD2 LYS A 252 6.845 -0.842 12.383 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.721 -1.967 11.646 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.724 -1.830 11.172 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.863 -3.077 12.051 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.264 -3.949 9.933 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.627 -3.500 9.897 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.791 -2.524 9.139 1.00 15.00 H new ATOM 358 N ASN A 253 2.925 2.326 10.471 1.00 15.00 N ATOM 359 CA ASN A 253 2.225 3.587 10.685 1.00 15.00 C ATOM 360 C ASN A 253 0.717 3.410 10.562 1.00 15.00 C ATOM 361 O ASN A 253 -0.040 4.349 10.806 1.00 15.00 O ATOM 362 CB ASN A 253 2.708 4.646 9.689 1.00 15.00 C ATOM 363 CG ASN A 253 4.183 4.964 9.838 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.034 4.323 9.222 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.498 5.956 10.656 1.00 15.00 N ATOM 0 H ASN A 253 3.044 2.070 9.491 1.00 15.00 H new ATOM 0 HA ASN A 253 2.450 3.921 11.698 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.517 4.297 8.674 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.129 5.559 9.827 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.476 6.213 10.793 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.763 6.464 11.149 1.00 15.00 H new ATOM 372 N LYS A 254 0.290 2.206 10.169 1.00 15.00 N ATOM 373 CA LYS A 254 -1.134 1.878 10.059 1.00 15.00 C ATOM 374 C LYS A 254 -1.809 2.786 9.022 1.00 15.00 C ATOM 375 O LYS A 254 -2.945 3.229 9.201 1.00 15.00 O ATOM 376 CB LYS A 254 -1.804 2.027 11.437 1.00 15.00 C ATOM 377 CG LYS A 254 -3.117 1.276 11.585 1.00 15.00 C ATOM 378 CD LYS A 254 -3.796 1.579 12.913 1.00 15.00 C ATOM 379 CE LYS A 254 -2.894 1.282 14.104 1.00 15.00 C ATOM 380 NZ LYS A 254 -2.492 -0.149 14.172 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.915 1.439 9.921 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.243 0.846 9.726 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.112 1.677 12.203 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.982 3.085 11.628 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.784 1.546 10.766 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -2.933 0.204 11.507 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.092 2.628 12.936 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -4.709 0.989 12.995 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -2.001 1.904 14.043 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.411 1.555 15.024 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -1.936 -0.313 15.035 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -3.342 -0.748 14.189 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -1.917 -0.388 13.339 1.00 15.00 H new ATOM 394 N THR A 255 -1.122 3.006 7.907 1.00 15.00 N ATOM 395 CA THR A 255 -1.572 3.971 6.906 1.00 15.00 C ATOM 396 C THR A 255 -1.451 3.396 5.487 1.00 15.00 C ATOM 397 O THR A 255 -0.607 2.533 5.235 1.00 15.00 O ATOM 398 CB THR A 255 -0.783 5.300 7.010 1.00 15.00 C ATOM 399 OG1 THR A 255 -1.343 6.281 6.129 1.00 15.00 O ATOM 400 CG2 THR A 255 0.687 5.100 6.677 1.00 15.00 C ATOM 0 H THR A 255 -0.251 2.530 7.672 1.00 15.00 H new ATOM 0 HA THR A 255 -2.623 4.178 7.108 1.00 15.00 H new ATOM 0 HB THR A 255 -0.859 5.648 8.040 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.837 7.117 6.206 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.212 6.052 6.760 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.124 4.384 7.373 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.781 4.721 5.659 1.00 15.00 H new ATOM 408 N THR A 256 -2.320 3.835 4.578 1.00 15.00 N ATOM 409 CA THR A 256 -2.305 3.340 3.207 1.00 15.00 C ATOM 410 C THR A 256 -1.788 4.410 2.236 1.00 15.00 C ATOM 411 O THR A 256 -2.133 5.587 2.351 1.00 15.00 O ATOM 412 CB THR A 256 -3.716 2.903 2.761 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.467 2.433 3.892 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.629 1.793 1.723 1.00 15.00 C ATOM 0 H THR A 256 -3.041 4.531 4.768 1.00 15.00 H new ATOM 0 HA THR A 256 -1.635 2.481 3.186 1.00 15.00 H new ATOM 0 HB THR A 256 -4.217 3.765 2.321 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.341 2.875 3.911 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.634 1.498 1.421 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.079 2.151 0.853 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.112 0.934 2.151 1.00 15.00 H new ATOM 422 N SER A 257 -0.950 3.995 1.293 1.00 15.00 N ATOM 423 CA SER A 257 -0.443 4.881 0.244 1.00 15.00 C ATOM 424 C SER A 257 -0.228 4.072 -1.034 1.00 15.00 C ATOM 425 O SER A 257 0.405 3.032 -0.992 1.00 15.00 O ATOM 426 CB SER A 257 0.867 5.532 0.696 1.00 15.00 C ATOM 427 OG SER A 257 0.693 6.233 1.918 1.00 15.00 O ATOM 0 H SER A 257 -0.602 3.038 1.231 1.00 15.00 H new ATOM 0 HA SER A 257 -1.167 5.672 0.049 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.634 4.767 0.818 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.220 6.218 -0.074 1.00 15.00 H new ATOM 0 HG SER A 257 1.544 6.638 2.187 1.00 15.00 H new ATOM 433 N TRP A 258 -0.729 4.559 -2.162 1.00 15.00 N ATOM 434 CA TRP A 258 -0.800 3.755 -3.389 1.00 15.00 C ATOM 435 C TRP A 258 0.569 3.270 -3.883 1.00 15.00 C ATOM 436 O TRP A 258 0.750 2.087 -4.167 1.00 15.00 O ATOM 437 CB TRP A 258 -1.463 4.543 -4.524 1.00 15.00 C ATOM 438 CG TRP A 258 -2.913 4.859 -4.313 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.449 6.079 -4.029 1.00 15.00 C ATOM 440 CD2 TRP A 258 -4.016 3.948 -4.398 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.813 5.982 -3.931 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.187 4.687 -4.153 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.129 2.584 -4.658 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.452 4.105 -4.161 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.381 2.006 -4.665 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.528 2.765 -4.420 1.00 15.00 C ATOM 0 H TRP A 258 -1.094 5.507 -2.259 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.395 2.882 -3.123 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.919 5.478 -4.663 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.361 3.975 -5.448 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.882 6.989 -3.900 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.447 6.754 -3.725 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.249 1.988 -4.851 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.339 4.690 -3.970 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.476 0.949 -4.863 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.494 2.283 -4.436 1.00 15.00 H new ATOM 457 N LEU A 259 1.525 4.178 -3.999 1.00 15.00 N ATOM 458 CA LEU A 259 2.738 3.893 -4.760 1.00 15.00 C ATOM 459 C LEU A 259 4.018 3.963 -3.944 1.00 15.00 C ATOM 460 O LEU A 259 4.070 4.575 -2.875 1.00 15.00 O ATOM 461 CB LEU A 259 2.829 4.791 -5.988 1.00 15.00 C ATOM 462 CG LEU A 259 2.059 4.264 -7.199 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.241 5.183 -8.397 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.523 2.850 -7.530 1.00 15.00 C ATOM 0 H LEU A 259 1.489 5.109 -3.583 1.00 15.00 H new ATOM 0 HA LEU A 259 2.649 2.854 -5.076 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.450 5.780 -5.731 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.877 4.912 -6.261 1.00 15.00 H new ATOM 0 HG LEU A 259 0.997 4.239 -6.955 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.684 4.788 -9.247 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.871 6.178 -8.152 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.299 5.242 -8.653 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.971 2.479 -8.394 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.589 2.861 -7.758 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.341 2.198 -6.676 1.00 15.00 H new ATOM 476 N ASP A 260 5.047 3.323 -4.501 1.00 15.00 N ATOM 477 CA ASP A 260 6.347 3.147 -3.859 1.00 15.00 C ATOM 478 C ASP A 260 6.983 4.497 -3.538 1.00 15.00 C ATOM 479 O ASP A 260 7.294 5.290 -4.429 1.00 15.00 O ATOM 480 CB ASP A 260 7.256 2.350 -4.811 1.00 15.00 C ATOM 481 CG ASP A 260 8.636 2.019 -4.254 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.220 2.847 -3.528 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.148 0.918 -4.565 1.00 15.00 O ATOM 0 H ASP A 260 4.997 2.905 -5.430 1.00 15.00 H new ATOM 0 HA ASP A 260 6.217 2.608 -2.921 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.754 1.419 -5.075 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.379 2.918 -5.733 1.00 15.00 H new ATOM 488 N PRO A 261 7.164 4.767 -2.239 1.00 15.00 N ATOM 489 CA PRO A 261 7.725 6.023 -1.742 1.00 15.00 C ATOM 490 C PRO A 261 9.249 6.077 -1.834 1.00 15.00 C ATOM 491 O PRO A 261 9.847 7.151 -1.771 1.00 15.00 O ATOM 492 CB PRO A 261 7.280 6.026 -0.283 1.00 15.00 C ATOM 493 CG PRO A 261 7.268 4.587 0.091 1.00 15.00 C ATOM 494 CD PRO A 261 6.817 3.851 -1.138 1.00 15.00 C ATOM 0 HA PRO A 261 7.388 6.881 -2.323 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.967 6.596 0.343 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.295 6.477 -0.167 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.258 4.256 0.404 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.592 4.405 0.926 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.325 2.892 -1.240 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.747 3.644 -1.111 1.00 15.00 H new ATOM 502 N ARG A 262 9.876 4.914 -1.947 1.00 15.00 N ATOM 503 CA ARG A 262 11.325 4.832 -2.034 1.00 15.00 C ATOM 504 C ARG A 262 11.778 5.140 -3.464 1.00 15.00 C ATOM 505 O ARG A 262 12.942 5.448 -3.713 1.00 15.00 O ATOM 506 CB ARG A 262 11.806 3.455 -1.522 1.00 15.00 C ATOM 507 CG ARG A 262 13.295 3.171 -1.700 1.00 15.00 C ATOM 508 CD ARG A 262 13.597 2.563 -3.062 1.00 15.00 C ATOM 509 NE ARG A 262 15.028 2.360 -3.278 1.00 15.00 N ATOM 510 CZ ARG A 262 15.765 3.105 -4.104 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.235 4.171 -4.694 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 17.039 2.798 -4.307 1.00 15.00 N ATOM 0 H ARG A 262 9.401 4.012 -1.981 1.00 15.00 H new ATOM 0 HA ARG A 262 11.786 5.582 -1.391 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.563 3.376 -0.462 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.242 2.678 -2.037 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.858 4.097 -1.583 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.631 2.492 -0.916 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.080 1.608 -3.153 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.204 3.214 -3.843 1.00 15.00 H new ATOM 0 HE ARG A 262 15.489 1.606 -2.769 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.262 4.422 -4.516 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.801 4.739 -5.325 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.452 1.995 -3.833 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.606 3.365 -4.938 1.00 15.00 H new ATOM 526 N LEU A 263 10.851 5.034 -4.409 1.00 15.00 N ATOM 527 CA LEU A 263 11.114 5.430 -5.791 1.00 15.00 C ATOM 528 C LEU A 263 10.997 6.941 -5.963 1.00 15.00 C ATOM 529 O LEU A 263 11.323 7.482 -7.022 1.00 15.00 O ATOM 530 CB LEU A 263 10.164 4.725 -6.762 1.00 15.00 C ATOM 531 CG LEU A 263 10.340 3.210 -6.865 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.426 2.645 -7.939 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.791 2.855 -7.155 1.00 15.00 C ATOM 0 H LEU A 263 9.910 4.677 -4.245 1.00 15.00 H new ATOM 0 HA LEU A 263 12.136 5.128 -6.022 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.139 4.935 -6.458 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.297 5.158 -7.753 1.00 15.00 H new ATOM 0 HG LEU A 263 10.067 2.765 -5.908 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.562 1.565 -8.001 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.389 2.866 -7.687 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.671 3.098 -8.900 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.894 1.772 -7.224 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.095 3.309 -8.098 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.425 3.229 -6.351 1.00 15.00 H new ATOM 545 N ASP A 264 10.491 7.611 -4.932 1.00 15.00 N ATOM 546 CA ASP A 264 10.304 9.063 -4.967 1.00 15.00 C ATOM 547 C ASP A 264 11.613 9.821 -5.248 1.00 15.00 C ATOM 548 O ASP A 264 11.630 10.724 -6.082 1.00 15.00 O ATOM 549 CB ASP A 264 9.652 9.560 -3.672 1.00 15.00 C ATOM 550 CG ASP A 264 9.447 11.061 -3.647 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.523 11.552 -4.331 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 10.191 11.753 -2.923 1.00 15.00 O ATOM 0 H ASP A 264 10.201 7.172 -4.058 1.00 15.00 H new ATOM 0 HA ASP A 264 9.633 9.275 -5.799 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.689 9.066 -3.544 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.274 9.270 -2.825 1.00 15.00 H new ATOM 557 N PRO A 265 12.712 9.504 -4.536 1.00 15.00 N ATOM 558 CA PRO A 265 14.039 10.044 -4.852 1.00 15.00 C ATOM 559 C PRO A 265 14.523 9.615 -6.239 1.00 15.00 C ATOM 560 O PRO A 265 14.387 10.413 -7.192 1.00 15.00 O ATOM 561 CB PRO A 265 14.947 9.458 -3.763 1.00 15.00 C ATOM 562 CG PRO A 265 14.199 8.291 -3.218 1.00 15.00 C ATOM 563 CD PRO A 265 12.747 8.644 -3.347 1.00 15.00 C ATOM 564 OXT PRO A 265 15.027 8.477 -6.378 1.00 15.00 O ATOM 0 HA PRO A 265 14.035 11.134 -4.872 1.00 15.00 H new ATOM 0 HB2 PRO A 265 15.909 9.152 -4.175 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.153 10.193 -2.984 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.432 7.383 -3.773 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.466 8.106 -2.178 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.127 7.756 -3.474 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.380 9.165 -2.463 1.00 15.00 H new ATOM 573 N SER B 206 -8.216 8.520 -6.174 1.00 15.00 N ATOM 574 CA SER B 206 -8.948 7.974 -5.012 1.00 15.00 C ATOM 575 C SER B 206 -8.044 7.917 -3.786 1.00 15.00 C ATOM 576 O SER B 206 -6.849 7.666 -3.910 1.00 15.00 O ATOM 577 CB SER B 206 -9.431 6.562 -5.339 1.00 15.00 C ATOM 578 OG SER B 206 -10.177 6.537 -6.546 1.00 15.00 O ATOM 0 HA SER B 206 -9.796 8.624 -4.797 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.574 5.893 -5.425 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.047 6.188 -4.521 1.00 15.00 H new ATOM 0 HG SER B 206 -9.745 7.115 -7.209 1.00 15.00 H new ATOM 586 N PRO B 207 -8.595 8.160 -2.589 1.00 15.00 N ATOM 587 CA PRO B 207 -7.888 7.884 -1.338 1.00 15.00 C ATOM 588 C PRO B 207 -7.765 6.374 -1.127 1.00 15.00 C ATOM 589 O PRO B 207 -8.709 5.630 -1.413 1.00 15.00 O ATOM 590 CB PRO B 207 -8.785 8.518 -0.270 1.00 15.00 C ATOM 591 CG PRO B 207 -10.144 8.555 -0.879 1.00 15.00 C ATOM 592 CD PRO B 207 -9.934 8.733 -2.357 1.00 15.00 C ATOM 0 HA PRO B 207 -6.872 8.279 -1.318 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -8.780 7.931 0.648 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.442 9.519 -0.010 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.689 7.634 -0.671 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.733 9.375 -0.468 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.698 8.214 -2.936 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.976 9.784 -2.644 1.00 15.00 H new ATOM 600 N PRO B 208 -6.615 5.891 -0.632 1.00 15.00 N ATOM 601 CA PRO B 208 -6.370 4.460 -0.489 1.00 15.00 C ATOM 602 C PRO B 208 -7.229 3.845 0.610 1.00 15.00 C ATOM 603 O PRO B 208 -7.349 4.406 1.703 1.00 15.00 O ATOM 604 CB PRO B 208 -4.879 4.370 -0.135 1.00 15.00 C ATOM 605 CG PRO B 208 -4.329 5.742 -0.344 1.00 15.00 C ATOM 606 CD PRO B 208 -5.479 6.682 -0.149 1.00 15.00 C ATOM 0 HA PRO B 208 -6.625 3.909 -1.395 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.741 4.046 0.896 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.370 3.644 -0.768 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.528 5.953 0.364 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.906 5.845 -1.343 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.598 6.968 0.896 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.353 7.603 -0.719 1.00 15.00 H new ATOM 614 N PRO B 209 -7.838 2.685 0.317 1.00 15.00 N ATOM 615 CA PRO B 209 -8.711 1.956 1.248 1.00 15.00 C ATOM 616 C PRO B 209 -8.083 1.762 2.624 1.00 15.00 C ATOM 617 O PRO B 209 -6.862 1.611 2.745 1.00 15.00 O ATOM 618 CB PRO B 209 -8.911 0.592 0.565 1.00 15.00 C ATOM 619 CG PRO B 209 -7.922 0.555 -0.551 1.00 15.00 C ATOM 620 CD PRO B 209 -7.734 1.980 -0.962 1.00 15.00 C ATOM 0 HA PRO B 209 -9.636 2.503 1.433 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.743 -0.226 1.266 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.929 0.486 0.190 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.980 0.112 -0.227 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.289 -0.048 -1.381 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.768 2.142 -1.439 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.497 2.304 -1.669 1.00 15.00 H new ATOM 628 N PRO B 210 -8.921 1.756 3.675 1.00 15.00 N ATOM 629 CA PRO B 210 -8.471 1.544 5.052 1.00 15.00 C ATOM 630 C PRO B 210 -7.585 0.311 5.189 1.00 15.00 C ATOM 631 O PRO B 210 -7.967 -0.791 4.800 1.00 15.00 O ATOM 632 CB PRO B 210 -9.775 1.354 5.827 1.00 15.00 C ATOM 633 CG PRO B 210 -10.791 2.102 5.036 1.00 15.00 C ATOM 634 CD PRO B 210 -10.382 1.953 3.599 1.00 15.00 C ATOM 0 HA PRO B 210 -7.862 2.373 5.413 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.036 0.299 5.912 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.695 1.745 6.841 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.790 1.699 5.202 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.818 3.152 5.328 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.877 1.105 3.127 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.638 2.837 3.015 1.00 15.00 H new ATOM 642 N TYR B 211 -6.411 0.521 5.765 1.00 15.00 N ATOM 643 CA TYR B 211 -5.407 -0.525 5.949 1.00 15.00 C ATOM 644 C TYR B 211 -5.918 -1.669 6.843 1.00 15.00 C ATOM 645 O TYR B 211 -5.290 -2.725 6.940 1.00 15.00 O ATOM 646 CB TYR B 211 -4.123 0.127 6.498 1.00 15.00 C ATOM 647 CG TYR B 211 -3.266 -0.744 7.389 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.474 -1.760 6.871 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.244 -0.530 8.757 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.688 -2.539 7.697 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.464 -1.301 9.589 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.687 -2.305 9.057 1.00 15.00 C ATOM 653 OH TYR B 211 -0.905 -3.076 9.886 1.00 15.00 O ATOM 0 H TYR B 211 -6.122 1.431 6.123 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.187 -0.993 4.989 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.517 0.456 5.654 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.403 1.020 7.057 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.473 -1.944 5.807 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.851 0.257 9.179 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.078 -3.327 7.281 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.462 -1.119 10.654 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.385 -3.710 9.349 1.00 15.00 H new ATOM 663 N SER B 212 -7.072 -1.464 7.470 1.00 15.00 N ATOM 664 CA SER B 212 -7.637 -2.449 8.382 1.00 15.00 C ATOM 665 C SER B 212 -7.894 -3.786 7.675 1.00 15.00 C ATOM 666 O SER B 212 -7.724 -4.855 8.270 1.00 15.00 O ATOM 667 CB SER B 212 -8.940 -1.914 8.974 1.00 15.00 C ATOM 668 OG SER B 212 -8.807 -0.548 9.338 1.00 15.00 O ATOM 0 H SER B 212 -7.635 -0.621 7.362 1.00 15.00 H new ATOM 0 HA SER B 212 -6.916 -2.626 9.180 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.746 -2.025 8.249 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.215 -2.503 9.849 1.00 15.00 H new ATOM 0 HG SER B 212 -9.653 -0.226 9.713 1.00 15.00 H new ATOM 674 N ARG B 213 -8.344 -3.731 6.423 1.00 15.00 N ATOM 675 CA ARG B 213 -8.503 -4.943 5.633 1.00 15.00 C ATOM 676 C ARG B 213 -8.310 -4.661 4.148 1.00 15.00 C ATOM 677 O ARG B 213 -8.343 -3.513 3.713 1.00 15.00 O ATOM 678 CB ARG B 213 -9.853 -5.613 5.863 1.00 15.00 C ATOM 679 CG ARG B 213 -9.782 -7.103 5.582 1.00 15.00 C ATOM 680 CD ARG B 213 -9.227 -7.863 6.774 1.00 15.00 C ATOM 681 NE ARG B 213 -10.269 -8.200 7.737 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.322 -7.738 8.986 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.423 -6.861 9.424 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.287 -8.153 9.794 1.00 15.00 N ATOM 0 H ARG B 213 -8.601 -2.870 5.941 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.728 -5.633 5.968 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.172 -5.449 6.892 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.604 -5.154 5.219 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.777 -7.478 5.340 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.153 -7.281 4.710 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.743 -8.776 6.429 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.461 -7.261 7.263 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.009 -8.833 7.434 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.683 -6.535 8.802 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.473 -6.514 10.382 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.981 -8.821 9.458 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.335 -7.805 10.752 1.00 15.00 H new ATOM 698 N TYR B 214 -8.130 -5.727 3.377 1.00 15.00 N ATOM 699 CA TYR B 214 -7.829 -5.621 1.958 1.00 15.00 C ATOM 700 C TYR B 214 -9.123 -5.601 1.152 1.00 15.00 C ATOM 701 O TYR B 214 -9.972 -6.483 1.307 1.00 15.00 O ATOM 702 CB TYR B 214 -6.972 -6.814 1.494 1.00 15.00 C ATOM 703 CG TYR B 214 -5.726 -7.092 2.323 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.487 -6.436 3.521 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.806 -8.049 1.914 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.384 -6.715 4.286 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.687 -8.331 2.673 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.482 -7.663 3.861 1.00 15.00 C ATOM 709 OH TYR B 214 -2.376 -7.950 4.630 1.00 15.00 O ATOM 0 H TYR B 214 -8.189 -6.686 3.719 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.275 -4.696 1.796 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.595 -7.708 1.497 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.668 -6.640 0.462 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.187 -5.687 3.860 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.968 -8.581 0.988 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.224 -6.193 5.218 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.976 -9.071 2.337 1.00 15.00 H new ATOM 0 HH TYR B 214 -1.841 -8.642 4.188 1.00 15.00 H new ATOM 719 N PRO B 215 -9.293 -4.591 0.290 1.00 15.00 N ATOM 720 CA PRO B 215 -10.445 -4.506 -0.609 1.00 15.00 C ATOM 721 C PRO B 215 -10.466 -5.660 -1.609 1.00 15.00 C ATOM 722 O PRO B 215 -9.448 -5.990 -2.218 1.00 15.00 O ATOM 723 CB PRO B 215 -10.243 -3.169 -1.334 1.00 15.00 C ATOM 724 CG PRO B 215 -8.791 -2.867 -1.193 1.00 15.00 C ATOM 725 CD PRO B 215 -8.377 -3.451 0.126 1.00 15.00 C ATOM 0 HA PRO B 215 -11.392 -4.566 -0.072 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.531 -3.242 -2.383 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.854 -2.383 -0.890 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.219 -3.305 -2.011 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.611 -1.792 -1.218 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.335 -3.770 0.116 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.482 -2.730 0.937 1.00 15.00 H new