USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=12 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 : no HD1:sc= -0.48 K(o=-1.4,f=-0.23) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -0.969 USER MOD Set 2.1: A 250 ASN : amide:sc= 0.141 K(o=0.14,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0 X(o=0.14,f=0.14) USER MOD Set 3.1: A 238 GLN : amide:sc= -1.65! C(o=-3.3!,f=-4.3!) USER MOD Set 3.2: A 248 TYR OH : rot 81:sc= -1.67! USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot -170:sc= -0.0065 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 180:sc= -0.404 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ -148:sc= -1.33 (180deg=-3.29!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot -171:sc= 0.651 USER MOD Single : A 257 SER OG : rot -142:sc= -0.83! USER MOD Single : B 206 SER OG : rot 36:sc= 0.105 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -105:sc= -1.45 (180deg=-5.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.904 0.192 -6.509 1.00 15.00 N ATOM 2 CA GLY A 230 11.042 -0.736 -6.301 1.00 15.00 C ATOM 3 C GLY A 230 11.002 -1.384 -4.936 1.00 15.00 C ATOM 4 O GLY A 230 9.953 -1.871 -4.516 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.025 -1.509 -7.070 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.979 -0.192 -6.417 1.00 15.00 H new ATOM 10 N PRO A 231 12.134 -1.419 -4.217 1.00 15.00 N ATOM 11 CA PRO A 231 12.192 -1.965 -2.865 1.00 15.00 C ATOM 12 C PRO A 231 11.608 -0.992 -1.850 1.00 15.00 C ATOM 13 O PRO A 231 12.150 0.093 -1.635 1.00 15.00 O ATOM 14 CB PRO A 231 13.696 -2.174 -2.610 1.00 15.00 C ATOM 15 CG PRO A 231 14.385 -1.832 -3.895 1.00 15.00 C ATOM 16 CD PRO A 231 13.446 -0.940 -4.656 1.00 15.00 C ATOM 0 HA PRO A 231 11.613 -2.883 -2.766 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.046 -1.537 -1.798 1.00 15.00 H new ATOM 0 HB3 PRO A 231 13.903 -3.204 -2.319 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.332 -1.327 -3.705 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.613 -2.733 -4.465 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.597 0.112 -4.412 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.575 -1.039 -5.734 1.00 15.00 H new ATOM 24 N LEU A 232 10.488 -1.366 -1.251 1.00 15.00 N ATOM 25 CA LEU A 232 9.808 -0.497 -0.303 1.00 15.00 C ATOM 26 C LEU A 232 10.506 -0.499 1.047 1.00 15.00 C ATOM 27 O LEU A 232 11.271 -1.412 1.352 1.00 15.00 O ATOM 28 CB LEU A 232 8.327 -0.827 -0.081 1.00 15.00 C ATOM 29 CG LEU A 232 7.342 -0.387 -1.160 1.00 15.00 C ATOM 30 CD1 LEU A 232 6.978 1.091 -1.117 1.00 15.00 C ATOM 31 CD2 LEU A 232 7.829 -0.766 -2.541 1.00 15.00 C ATOM 0 H LEU A 232 10.031 -2.265 -1.404 1.00 15.00 H new ATOM 0 HA LEU A 232 9.855 0.489 -0.765 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.236 -1.907 0.038 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.018 -0.375 0.862 1.00 15.00 H new ATOM 0 HG LEU A 232 6.424 -0.931 -0.936 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.274 1.316 -1.918 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.521 1.325 -0.156 1.00 15.00 H new ATOM 0 HD13 LEU A 232 7.879 1.691 -1.246 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.104 -0.438 -3.285 1.00 15.00 H new ATOM 0 HD22 LEU A 232 8.789 -0.286 -2.733 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.946 -1.848 -2.601 1.00 15.00 H new ATOM 43 N PRO A 233 10.236 0.525 1.882 1.00 15.00 N ATOM 44 CA PRO A 233 10.869 0.713 3.210 1.00 15.00 C ATOM 45 C PRO A 233 10.641 -0.455 4.179 1.00 15.00 C ATOM 46 O PRO A 233 11.193 -0.463 5.277 1.00 15.00 O ATOM 47 CB PRO A 233 10.137 1.962 3.714 1.00 15.00 C ATOM 48 CG PRO A 233 9.884 2.699 2.468 1.00 15.00 C ATOM 49 CD PRO A 233 9.270 1.622 1.639 1.00 15.00 C ATOM 0 HA PRO A 233 11.954 0.788 3.143 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.212 1.710 4.233 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.747 2.538 4.411 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.212 3.544 2.615 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.799 3.093 2.026 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.261 1.369 1.966 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.205 1.894 0.585 1.00 15.00 H new ATOM 57 N ASP A 234 9.759 -1.381 3.788 1.00 15.00 N ATOM 58 CA ASP A 234 9.408 -2.573 4.584 1.00 15.00 C ATOM 59 C ASP A 234 8.375 -2.223 5.636 1.00 15.00 C ATOM 60 O ASP A 234 8.034 -3.039 6.493 1.00 15.00 O ATOM 61 CB ASP A 234 10.632 -3.214 5.260 1.00 15.00 C ATOM 62 CG ASP A 234 11.586 -3.868 4.281 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.275 -4.973 3.791 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.658 -3.288 4.015 1.00 15.00 O ATOM 0 H ASP A 234 9.260 -1.328 2.900 1.00 15.00 H new ATOM 0 HA ASP A 234 8.995 -3.302 3.887 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.168 -2.450 5.823 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.292 -3.960 5.978 1.00 15.00 H new ATOM 69 N GLY A 235 7.839 -1.019 5.532 1.00 15.00 N ATOM 70 CA GLY A 235 6.742 -0.626 6.381 1.00 15.00 C ATOM 71 C GLY A 235 5.414 -0.950 5.739 1.00 15.00 C ATOM 72 O GLY A 235 4.412 -1.136 6.426 1.00 15.00 O ATOM 0 H GLY A 235 8.147 -0.306 4.871 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.820 -1.137 7.341 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.800 0.443 6.584 1.00 15.00 H new ATOM 76 N TRP A 236 5.424 -1.054 4.414 1.00 15.00 N ATOM 77 CA TRP A 236 4.209 -1.274 3.648 1.00 15.00 C ATOM 78 C TRP A 236 4.379 -2.276 2.521 1.00 15.00 C ATOM 79 O TRP A 236 5.432 -2.365 1.892 1.00 15.00 O ATOM 80 CB TRP A 236 3.628 0.046 3.126 1.00 15.00 C ATOM 81 CG TRP A 236 4.618 1.142 2.853 1.00 15.00 C ATOM 82 CD1 TRP A 236 5.895 1.040 2.384 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.387 2.541 3.064 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.455 2.282 2.297 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.557 3.216 2.714 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.301 3.282 3.519 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.677 4.598 2.814 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.415 4.653 3.615 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.600 5.299 3.268 1.00 15.00 C ATOM 0 H TRP A 236 6.269 -0.988 3.847 1.00 15.00 H new ATOM 0 HA TRP A 236 3.496 -1.715 4.344 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.082 -0.160 2.205 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.902 0.412 3.852 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.389 0.116 2.121 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.401 2.480 1.970 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.380 2.790 3.794 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.594 5.099 2.541 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.574 5.234 3.964 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.666 6.373 3.360 1.00 15.00 H new ATOM 100 N GLU A 237 3.292 -3.001 2.269 1.00 15.00 N ATOM 101 CA GLU A 237 3.256 -4.076 1.296 1.00 15.00 C ATOM 102 C GLU A 237 2.249 -3.714 0.205 1.00 15.00 C ATOM 103 O GLU A 237 1.152 -3.238 0.509 1.00 15.00 O ATOM 104 CB GLU A 237 2.838 -5.364 2.019 1.00 15.00 C ATOM 105 CG GLU A 237 3.402 -6.645 1.427 1.00 15.00 C ATOM 106 CD GLU A 237 2.673 -7.122 0.190 1.00 15.00 C ATOM 107 OE1 GLU A 237 1.670 -7.854 0.333 1.00 15.00 O ATOM 108 OE2 GLU A 237 3.113 -6.795 -0.930 1.00 15.00 O1- ATOM 0 H GLU A 237 2.402 -2.852 2.744 1.00 15.00 H new ATOM 0 HA GLU A 237 4.232 -4.226 0.835 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.150 -5.295 3.061 1.00 15.00 H new ATOM 0 HB3 GLU A 237 1.750 -5.428 2.015 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.452 -6.488 1.180 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.366 -7.429 2.183 1.00 15.00 H new ATOM 115 N GLN A 238 2.610 -3.948 -1.049 1.00 15.00 N ATOM 116 CA GLN A 238 1.775 -3.544 -2.176 1.00 15.00 C ATOM 117 C GLN A 238 0.786 -4.652 -2.559 1.00 15.00 C ATOM 118 O GLN A 238 1.186 -5.699 -3.072 1.00 15.00 O ATOM 119 CB GLN A 238 2.657 -3.178 -3.380 1.00 15.00 C ATOM 120 CG GLN A 238 1.932 -3.152 -4.714 1.00 15.00 C ATOM 121 CD GLN A 238 2.890 -2.985 -5.877 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.926 -2.331 -5.755 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.566 -3.596 -7.006 1.00 15.00 N ATOM 0 H GLN A 238 3.477 -4.416 -1.314 1.00 15.00 H new ATOM 0 HA GLN A 238 1.199 -2.669 -1.876 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.100 -2.198 -3.204 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.478 -3.892 -3.442 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.368 -4.077 -4.838 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.210 -2.335 -4.719 1.00 15.00 H new ATOM 0 HE21 GLN A 238 1.698 -4.128 -7.067 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.184 -3.534 -7.815 1.00 15.00 H new ATOM 132 N ALA A 239 -0.499 -4.433 -2.287 1.00 15.00 N ATOM 133 CA ALA A 239 -1.534 -5.382 -2.665 1.00 15.00 C ATOM 134 C ALA A 239 -2.286 -4.875 -3.891 1.00 15.00 C ATOM 135 O ALA A 239 -2.387 -3.664 -4.109 1.00 15.00 O ATOM 136 CB ALA A 239 -2.488 -5.621 -1.502 1.00 15.00 C ATOM 0 H ALA A 239 -0.845 -3.603 -1.805 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.066 -6.333 -2.917 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.256 -6.334 -1.802 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.934 -6.021 -0.653 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.958 -4.680 -1.217 1.00 15.00 H new ATOM 142 N MET A 240 -2.787 -5.796 -4.698 1.00 15.00 N ATOM 143 CA MET A 240 -3.480 -5.443 -5.929 1.00 15.00 C ATOM 144 C MET A 240 -4.990 -5.575 -5.766 1.00 15.00 C ATOM 145 O MET A 240 -5.487 -6.613 -5.330 1.00 15.00 O ATOM 146 CB MET A 240 -3.021 -6.347 -7.075 1.00 15.00 C ATOM 147 CG MET A 240 -1.540 -6.248 -7.390 1.00 15.00 C ATOM 148 SD MET A 240 -1.050 -7.373 -8.712 1.00 15.00 S ATOM 149 CE MET A 240 0.681 -6.956 -8.891 1.00 15.00 C ATOM 0 H MET A 240 -2.727 -6.799 -4.522 1.00 15.00 H new ATOM 0 HA MET A 240 -3.238 -4.405 -6.158 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.260 -7.381 -6.825 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.589 -6.096 -7.971 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.299 -5.225 -7.678 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.963 -6.471 -6.492 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.124 -7.571 -9.675 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.776 -5.903 -9.158 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.199 -7.140 -7.950 1.00 15.00 H new ATOM 159 N THR A 241 -5.717 -4.528 -6.125 1.00 15.00 N ATOM 160 CA THR A 241 -7.167 -4.596 -6.158 1.00 15.00 C ATOM 161 C THR A 241 -7.630 -4.731 -7.608 1.00 15.00 C ATOM 162 O THR A 241 -7.017 -4.156 -8.517 1.00 15.00 O ATOM 163 CB THR A 241 -7.830 -3.369 -5.481 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.251 -3.549 -5.418 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.516 -2.075 -6.220 1.00 15.00 C ATOM 0 H THR A 241 -5.327 -3.625 -6.396 1.00 15.00 H new ATOM 0 HA THR A 241 -7.479 -5.470 -5.587 1.00 15.00 H new ATOM 0 HB THR A 241 -7.420 -3.292 -4.474 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.675 -2.711 -5.137 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.999 -1.240 -5.713 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.438 -1.916 -6.233 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.886 -2.141 -7.243 1.00 15.00 H new ATOM 173 N GLN A 242 -8.719 -5.475 -7.812 1.00 15.00 N ATOM 174 CA GLN A 242 -9.176 -5.859 -9.152 1.00 15.00 C ATOM 175 C GLN A 242 -9.490 -4.645 -10.016 1.00 15.00 C ATOM 176 O GLN A 242 -9.517 -4.726 -11.244 1.00 15.00 O ATOM 177 CB GLN A 242 -10.418 -6.735 -9.046 1.00 15.00 C ATOM 178 CG GLN A 242 -10.923 -7.239 -10.382 1.00 15.00 C ATOM 179 CD GLN A 242 -10.073 -8.365 -10.938 1.00 15.00 C ATOM 180 OE1 GLN A 242 -10.332 -9.540 -10.678 1.00 15.00 O ATOM 181 NE2 GLN A 242 -9.052 -8.016 -11.705 1.00 15.00 N ATOM 0 H GLN A 242 -9.308 -5.828 -7.057 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.365 -6.412 -9.627 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.196 -7.589 -8.406 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.211 -6.168 -8.558 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.951 -7.585 -10.271 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.939 -6.415 -11.095 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -8.871 -7.031 -11.896 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -8.446 -8.733 -12.105 1.00 15.00 H new ATOM 190 N ASP A 243 -9.756 -3.534 -9.356 1.00 15.00 N ATOM 191 CA ASP A 243 -9.992 -2.257 -10.031 1.00 15.00 C ATOM 192 C ASP A 243 -8.775 -1.829 -10.863 1.00 15.00 C ATOM 193 O ASP A 243 -8.846 -0.889 -11.652 1.00 15.00 O ATOM 194 CB ASP A 243 -10.324 -1.179 -8.996 1.00 15.00 C ATOM 195 CG ASP A 243 -10.946 0.052 -9.618 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.167 0.035 -9.874 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.224 1.042 -9.851 1.00 15.00 O ATOM 0 H ASP A 243 -9.816 -3.483 -8.339 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.834 -2.383 -10.711 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.007 -1.591 -8.254 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.414 -0.895 -8.468 1.00 15.00 H new ATOM 202 N GLY A 244 -7.661 -2.532 -10.680 1.00 15.00 N ATOM 203 CA GLY A 244 -6.469 -2.256 -11.456 1.00 15.00 C ATOM 204 C GLY A 244 -5.474 -1.381 -10.721 1.00 15.00 C ATOM 205 O GLY A 244 -4.544 -0.853 -11.328 1.00 15.00 O ATOM 0 H GLY A 244 -7.564 -3.290 -10.005 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -5.989 -3.198 -11.722 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -6.754 -1.769 -12.388 1.00 15.00 H new ATOM 209 N GLU A 245 -5.643 -1.246 -9.411 1.00 15.00 N ATOM 210 CA GLU A 245 -4.792 -0.354 -8.639 1.00 15.00 C ATOM 211 C GLU A 245 -4.046 -1.122 -7.557 1.00 15.00 C ATOM 212 O GLU A 245 -4.546 -2.119 -7.028 1.00 15.00 O ATOM 213 CB GLU A 245 -5.611 0.770 -7.992 1.00 15.00 C ATOM 214 CG GLU A 245 -6.360 1.655 -8.976 1.00 15.00 C ATOM 215 CD GLU A 245 -5.460 2.230 -10.054 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.316 2.619 -9.738 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.901 2.308 -11.221 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.353 -1.737 -8.868 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.072 0.087 -9.328 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.329 0.327 -7.302 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.942 1.394 -7.399 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -7.156 1.076 -9.445 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.836 2.472 -8.433 1.00 15.00 H new ATOM 224 N ILE A 246 -2.862 -0.644 -7.220 1.00 15.00 N ATOM 225 CA ILE A 246 -2.065 -1.244 -6.164 1.00 15.00 C ATOM 226 C ILE A 246 -1.986 -0.286 -4.981 1.00 15.00 C ATOM 227 O ILE A 246 -1.969 0.929 -5.168 1.00 15.00 O ATOM 228 CB ILE A 246 -0.642 -1.592 -6.656 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.148 -0.313 -6.980 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.714 -2.513 -7.869 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.414 -0.554 -7.776 1.00 15.00 C ATOM 0 H ILE A 246 -2.428 0.164 -7.666 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.547 -2.172 -5.858 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.115 -2.117 -5.859 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.495 0.367 -7.538 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.408 0.187 -6.047 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.295 -2.751 -8.206 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.232 -3.433 -7.597 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.257 -2.015 -8.672 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.913 0.397 -7.963 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.079 -1.208 -7.212 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.162 -1.025 -8.726 1.00 15.00 H new ATOM 243 N TYR A 247 -1.967 -0.822 -3.772 1.00 15.00 N ATOM 244 CA TYR A 247 -1.921 0.017 -2.585 1.00 15.00 C ATOM 245 C TYR A 247 -0.959 -0.564 -1.537 1.00 15.00 C ATOM 246 O TYR A 247 -0.944 -1.776 -1.310 1.00 15.00 O ATOM 247 CB TYR A 247 -3.331 0.194 -1.991 1.00 15.00 C ATOM 248 CG TYR A 247 -4.009 -1.085 -1.539 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.459 -2.026 -2.459 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.208 -1.345 -0.187 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.082 -3.186 -2.046 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.832 -2.507 0.232 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.263 -3.422 -0.701 1.00 15.00 C ATOM 254 OH TYR A 247 -5.879 -4.577 -0.284 1.00 15.00 O ATOM 0 H TYR A 247 -1.983 -1.825 -3.587 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.546 0.998 -2.879 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.266 0.872 -1.140 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.963 0.677 -2.736 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.318 -1.846 -3.515 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.870 -0.629 0.547 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.426 -3.906 -2.774 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.980 -2.695 1.285 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.926 -4.588 0.695 1.00 15.00 H new ATOM 264 N TYR A 248 -0.170 0.298 -0.892 1.00 15.00 N ATOM 265 CA TYR A 248 0.751 -0.122 0.149 1.00 15.00 C ATOM 266 C TYR A 248 0.107 0.019 1.511 1.00 15.00 C ATOM 267 O TYR A 248 -0.243 1.124 1.932 1.00 15.00 O ATOM 268 CB TYR A 248 2.025 0.720 0.125 1.00 15.00 C ATOM 269 CG TYR A 248 2.923 0.444 -1.049 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.745 -0.671 -1.060 1.00 15.00 C ATOM 271 CD2 TYR A 248 2.950 1.289 -2.148 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.561 -0.937 -2.137 1.00 15.00 C ATOM 273 CE2 TYR A 248 3.763 1.023 -3.228 1.00 15.00 C ATOM 274 CZ TYR A 248 4.560 -0.089 -3.221 1.00 15.00 C ATOM 275 OH TYR A 248 5.356 -0.355 -4.310 1.00 15.00 O ATOM 0 H TYR A 248 -0.156 1.300 -1.080 1.00 15.00 H new ATOM 0 HA TYR A 248 1.003 -1.166 -0.038 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.750 1.775 0.118 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.582 0.542 1.045 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.746 -1.341 -0.213 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.324 2.169 -2.158 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.199 -1.808 -2.131 1.00 15.00 H new ATOM 0 HE2 TYR A 248 3.771 1.690 -4.077 1.00 15.00 H new ATOM 0 HH TYR A 248 4.922 -1.026 -4.877 1.00 15.00 H new ATOM 285 N ILE A 249 -0.060 -1.097 2.190 1.00 15.00 N ATOM 286 CA ILE A 249 -0.556 -1.089 3.551 1.00 15.00 C ATOM 287 C ILE A 249 0.615 -1.008 4.528 1.00 15.00 C ATOM 288 O ILE A 249 1.422 -1.935 4.624 1.00 15.00 O ATOM 289 CB ILE A 249 -1.423 -2.338 3.841 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.695 -3.624 3.427 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.752 -2.229 3.113 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.495 -4.886 3.671 1.00 15.00 C ATOM 0 H ILE A 249 0.142 -2.026 1.819 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.190 -0.212 3.681 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.606 -2.385 4.914 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.444 -3.563 2.368 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.245 -3.690 3.974 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.355 -3.112 3.323 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.281 -1.339 3.453 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.574 -2.158 2.040 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.914 -5.752 3.353 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.724 -4.972 4.733 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.424 -4.844 3.102 1.00 15.00 H new ATOM 304 N ASN A 250 0.710 0.099 5.254 1.00 15.00 N ATOM 305 CA ASN A 250 1.835 0.307 6.156 1.00 15.00 C ATOM 306 C ASN A 250 1.486 -0.263 7.544 1.00 15.00 C ATOM 307 O ASN A 250 0.632 0.288 8.238 1.00 15.00 O ATOM 308 CB ASN A 250 2.200 1.803 6.245 1.00 15.00 C ATOM 309 CG ASN A 250 3.412 2.084 7.127 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.642 1.426 8.143 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.199 3.074 6.739 1.00 15.00 N ATOM 0 H ASN A 250 0.030 0.859 5.237 1.00 15.00 H new ATOM 0 HA ASN A 250 2.708 -0.217 5.767 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.396 2.181 5.242 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.344 2.355 6.632 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.026 3.313 7.287 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.979 3.598 5.892 1.00 15.00 H new ATOM 318 N HIS A 251 2.132 -1.375 7.950 1.00 15.00 N ATOM 319 CA HIS A 251 1.755 -2.080 9.167 1.00 15.00 C ATOM 320 C HIS A 251 2.358 -1.413 10.391 1.00 15.00 C ATOM 321 O HIS A 251 1.972 -1.701 11.521 1.00 15.00 O ATOM 322 CB HIS A 251 2.226 -3.539 9.102 1.00 15.00 C ATOM 323 CG HIS A 251 1.687 -4.311 7.935 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.384 -4.486 6.757 1.00 15.00 N ATOM 325 CD2 HIS A 251 0.514 -4.962 7.771 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.661 -5.209 5.924 1.00 15.00 C ATOM 327 NE2 HIS A 251 0.521 -5.513 6.514 1.00 15.00 N ATOM 0 H HIS A 251 2.914 -1.794 7.446 1.00 15.00 H new ATOM 0 HA HIS A 251 0.668 -2.049 9.249 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.315 -3.555 9.061 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.934 -4.044 10.023 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.283 -5.035 8.496 1.00 15.00 H new ATOM 0 HE1 HIS A 251 1.953 -5.503 4.927 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -0.231 -6.066 6.104 1.00 15.00 H new ATOM 336 N LYS A 252 3.323 -0.539 10.158 1.00 15.00 N ATOM 337 CA LYS A 252 4.026 0.121 11.245 1.00 15.00 C ATOM 338 C LYS A 252 3.297 1.380 11.707 1.00 15.00 C ATOM 339 O LYS A 252 3.480 1.824 12.841 1.00 15.00 O ATOM 340 CB LYS A 252 5.456 0.470 10.818 1.00 15.00 C ATOM 341 CG LYS A 252 6.281 -0.741 10.403 1.00 15.00 C ATOM 342 CD LYS A 252 6.475 -1.709 11.559 1.00 15.00 C ATOM 343 CE LYS A 252 7.328 -1.102 12.660 1.00 15.00 C ATOM 344 NZ LYS A 252 7.439 -2.003 13.834 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.637 -0.270 9.226 1.00 15.00 H new ATOM 0 HA LYS A 252 4.059 -0.573 12.085 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.416 1.174 9.987 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.959 0.977 11.642 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.786 -1.253 9.578 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.253 -0.411 10.037 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.504 -1.991 11.965 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.946 -2.622 11.195 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.324 -0.888 12.271 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.896 -0.151 12.972 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.029 -1.553 14.563 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.491 -2.188 14.221 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.875 -2.901 13.542 1.00 15.00 H new ATOM 358 N ASN A 253 2.498 1.976 10.829 1.00 15.00 N ATOM 359 CA ASN A 253 1.793 3.206 11.179 1.00 15.00 C ATOM 360 C ASN A 253 0.292 3.127 10.891 1.00 15.00 C ATOM 361 O ASN A 253 -0.425 4.102 11.111 1.00 15.00 O ATOM 362 CB ASN A 253 2.405 4.401 10.439 1.00 15.00 C ATOM 363 CG ASN A 253 3.835 4.678 10.864 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.081 5.398 11.835 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.787 4.114 10.139 1.00 15.00 N ATOM 0 H ASN A 253 2.323 1.635 9.884 1.00 15.00 H new ATOM 0 HA ASN A 253 1.910 3.341 12.254 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.379 4.212 9.366 1.00 15.00 H new ATOM 0 HB3 ASN A 253 1.797 5.287 10.621 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.767 4.268 10.376 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.541 3.525 9.343 1.00 15.00 H new ATOM 372 N LYS A 254 -0.178 1.970 10.417 1.00 15.00 N ATOM 373 CA LYS A 254 -1.605 1.758 10.149 1.00 15.00 C ATOM 374 C LYS A 254 -2.138 2.805 9.155 1.00 15.00 C ATOM 375 O LYS A 254 -3.165 3.447 9.391 1.00 15.00 O ATOM 376 CB LYS A 254 -2.398 1.788 11.470 1.00 15.00 C ATOM 377 CG LYS A 254 -3.847 1.331 11.348 1.00 15.00 C ATOM 378 CD LYS A 254 -4.591 1.399 12.677 1.00 15.00 C ATOM 379 CE LYS A 254 -5.068 2.810 13.010 1.00 15.00 C ATOM 380 NZ LYS A 254 -3.949 3.743 13.310 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.410 1.163 10.210 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.735 0.777 9.691 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.891 1.155 12.198 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.383 2.804 11.865 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.361 1.953 10.615 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.872 0.308 10.972 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.449 0.728 12.644 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.938 1.043 13.474 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.645 3.200 12.172 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.740 2.768 13.868 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.262 4.447 14.009 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -3.144 3.208 13.694 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -3.658 4.228 12.437 1.00 15.00 H new ATOM 394 N THR A 255 -1.434 2.968 8.042 1.00 15.00 N ATOM 395 CA THR A 255 -1.806 3.954 7.035 1.00 15.00 C ATOM 396 C THR A 255 -1.576 3.392 5.628 1.00 15.00 C ATOM 397 O THR A 255 -0.714 2.532 5.434 1.00 15.00 O ATOM 398 CB THR A 255 -1.019 5.273 7.223 1.00 15.00 C ATOM 399 OG1 THR A 255 -1.495 6.268 6.310 1.00 15.00 O ATOM 400 CG2 THR A 255 0.476 5.065 7.019 1.00 15.00 C ATOM 0 H THR A 255 -0.599 2.428 7.813 1.00 15.00 H new ATOM 0 HA THR A 255 -2.866 4.175 7.158 1.00 15.00 H new ATOM 0 HB THR A 255 -1.180 5.610 8.247 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.991 7.098 6.439 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.997 6.012 7.159 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.844 4.338 7.743 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.658 4.696 6.009 1.00 15.00 H new ATOM 408 N THR A 256 -2.371 3.841 4.658 1.00 15.00 N ATOM 409 CA THR A 256 -2.256 3.346 3.293 1.00 15.00 C ATOM 410 C THR A 256 -1.640 4.402 2.370 1.00 15.00 C ATOM 411 O THR A 256 -2.025 5.575 2.399 1.00 15.00 O ATOM 412 CB THR A 256 -3.630 2.933 2.726 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.366 2.186 3.704 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.461 2.085 1.472 1.00 15.00 C ATOM 0 H THR A 256 -3.098 4.544 4.794 1.00 15.00 H new ATOM 0 HA THR A 256 -1.605 2.473 3.331 1.00 15.00 H new ATOM 0 HB THR A 256 -4.177 3.841 2.472 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.172 1.811 3.291 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.442 1.804 1.088 1.00 15.00 H new ATOM 0 HG22 THR A 256 -2.925 2.658 0.715 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.895 1.186 1.715 1.00 15.00 H new ATOM 422 N SER A 257 -0.689 3.976 1.556 1.00 15.00 N ATOM 423 CA SER A 257 -0.032 4.848 0.592 1.00 15.00 C ATOM 424 C SER A 257 -0.226 4.282 -0.810 1.00 15.00 C ATOM 425 O SER A 257 -0.319 3.074 -0.967 1.00 15.00 O ATOM 426 CB SER A 257 1.454 4.933 0.927 1.00 15.00 C ATOM 427 OG SER A 257 2.060 3.657 0.862 1.00 15.00 O ATOM 0 H SER A 257 -0.349 3.014 1.543 1.00 15.00 H new ATOM 0 HA SER A 257 -0.465 5.848 0.634 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.949 5.611 0.232 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.582 5.351 1.926 1.00 15.00 H new ATOM 0 HG SER A 257 2.719 3.571 1.582 1.00 15.00 H new ATOM 433 N TRP A 258 -0.271 5.131 -1.823 1.00 15.00 N ATOM 434 CA TRP A 258 -0.518 4.655 -3.179 1.00 15.00 C ATOM 435 C TRP A 258 0.707 3.968 -3.785 1.00 15.00 C ATOM 436 O TRP A 258 0.724 2.750 -3.951 1.00 15.00 O ATOM 437 CB TRP A 258 -0.967 5.803 -4.085 1.00 15.00 C ATOM 438 CG TRP A 258 -2.451 6.011 -4.101 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.127 7.164 -3.827 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.444 5.027 -4.408 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.480 6.960 -3.965 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.699 5.654 -4.319 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.390 3.676 -4.757 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -5.890 4.975 -4.569 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.571 3.003 -4.997 1.00 15.00 C ATOM 446 CH2 TRP A 258 -5.806 3.653 -4.905 1.00 15.00 C ATOM 0 H TRP A 258 -0.142 6.139 -1.738 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.316 3.915 -3.110 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.483 6.723 -3.758 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.625 5.607 -5.101 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.667 8.099 -3.543 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.203 7.666 -3.826 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.441 3.167 -4.838 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -6.845 5.475 -4.500 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.541 1.956 -5.260 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -6.712 3.099 -5.104 1.00 15.00 H new ATOM 457 N LEU A 259 1.739 4.742 -4.092 1.00 15.00 N ATOM 458 CA LEU A 259 2.891 4.210 -4.809 1.00 15.00 C ATOM 459 C LEU A 259 4.189 4.346 -4.033 1.00 15.00 C ATOM 460 O LEU A 259 4.301 5.156 -3.113 1.00 15.00 O ATOM 461 CB LEU A 259 3.023 4.843 -6.189 1.00 15.00 C ATOM 462 CG LEU A 259 2.246 4.112 -7.285 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.487 4.763 -8.638 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.645 2.638 -7.315 1.00 15.00 C ATOM 0 H LEU A 259 1.803 5.733 -3.858 1.00 15.00 H new ATOM 0 HA LEU A 259 2.706 3.143 -4.929 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.676 5.875 -6.139 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.077 4.874 -6.464 1.00 15.00 H new ATOM 0 HG LEU A 259 1.181 4.180 -7.064 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.926 4.228 -9.404 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.158 5.802 -8.606 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.550 4.726 -8.875 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.087 2.126 -8.098 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.713 2.554 -7.517 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.421 2.181 -6.351 1.00 15.00 H new ATOM 476 N ASP A 260 5.164 3.534 -4.443 1.00 15.00 N ATOM 477 CA ASP A 260 6.459 3.433 -3.780 1.00 15.00 C ATOM 478 C ASP A 260 7.201 4.764 -3.758 1.00 15.00 C ATOM 479 O ASP A 260 7.582 5.303 -4.801 1.00 15.00 O ATOM 480 CB ASP A 260 7.312 2.370 -4.477 1.00 15.00 C ATOM 481 CG ASP A 260 8.788 2.487 -4.155 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.134 2.627 -2.967 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.606 2.437 -5.102 1.00 15.00 O1- ATOM 0 H ASP A 260 5.073 2.922 -5.254 1.00 15.00 H new ATOM 0 HA ASP A 260 6.278 3.146 -2.744 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.960 1.381 -4.184 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.174 2.451 -5.555 1.00 15.00 H new ATOM 488 N PRO A 261 7.374 5.317 -2.550 1.00 15.00 N ATOM 489 CA PRO A 261 8.093 6.566 -2.334 1.00 15.00 C ATOM 490 C PRO A 261 9.614 6.405 -2.322 1.00 15.00 C ATOM 491 O PRO A 261 10.346 7.395 -2.302 1.00 15.00 O ATOM 492 CB PRO A 261 7.592 7.022 -0.964 1.00 15.00 C ATOM 493 CG PRO A 261 7.225 5.768 -0.241 1.00 15.00 C ATOM 494 CD PRO A 261 6.862 4.748 -1.287 1.00 15.00 C ATOM 0 HA PRO A 261 7.908 7.275 -3.141 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.363 7.574 -0.427 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.733 7.686 -1.060 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.058 5.416 0.368 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.387 5.943 0.434 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.318 3.781 -1.074 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.784 4.590 -1.331 1.00 15.00 H new ATOM 502 N ARG A 262 10.095 5.165 -2.300 1.00 15.00 N ATOM 503 CA ARG A 262 11.515 4.915 -2.081 1.00 15.00 C ATOM 504 C ARG A 262 12.357 5.231 -3.321 1.00 15.00 C ATOM 505 O ARG A 262 13.548 5.518 -3.206 1.00 15.00 O ATOM 506 CB ARG A 262 11.755 3.468 -1.629 1.00 15.00 C ATOM 507 CG ARG A 262 13.208 3.159 -1.284 1.00 15.00 C ATOM 508 CD ARG A 262 13.609 3.723 0.077 1.00 15.00 C ATOM 509 NE ARG A 262 13.456 5.178 0.164 1.00 15.00 N ATOM 510 CZ ARG A 262 13.435 5.857 1.313 1.00 15.00 C ATOM 511 NH1 ARG A 262 13.648 5.227 2.465 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 13.219 7.169 1.309 1.00 15.00 N ATOM 0 H ARG A 262 9.529 4.326 -2.430 1.00 15.00 H new ATOM 0 HA ARG A 262 11.835 5.590 -1.287 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.134 3.263 -0.757 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.428 2.792 -2.419 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.359 2.080 -1.287 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.859 3.574 -2.054 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.003 3.253 0.851 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.647 3.460 0.281 1.00 15.00 H new ATOM 0 HE ARG A 262 13.360 5.703 -0.705 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.828 4.223 2.472 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.632 5.748 3.342 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.069 7.658 0.427 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.203 7.686 2.188 1.00 15.00 H new ATOM 526 N LEU A 263 11.753 5.160 -4.500 1.00 15.00 N ATOM 527 CA LEU A 263 12.475 5.463 -5.735 1.00 15.00 C ATOM 528 C LEU A 263 12.580 6.968 -5.975 1.00 15.00 C ATOM 529 O LEU A 263 13.331 7.410 -6.849 1.00 15.00 O ATOM 530 CB LEU A 263 11.813 4.793 -6.943 1.00 15.00 C ATOM 531 CG LEU A 263 11.939 3.270 -7.000 1.00 15.00 C ATOM 532 CD1 LEU A 263 11.286 2.736 -8.264 1.00 15.00 C ATOM 533 CD2 LEU A 263 13.400 2.848 -6.937 1.00 15.00 C ATOM 0 H LEU A 263 10.776 4.899 -4.630 1.00 15.00 H new ATOM 0 HA LEU A 263 13.482 5.063 -5.616 1.00 15.00 H new ATOM 0 HB2 LEU A 263 10.755 5.053 -6.946 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.247 5.211 -7.852 1.00 15.00 H new ATOM 0 HG LEU A 263 11.425 2.849 -6.136 1.00 15.00 H new ATOM 0 HD11 LEU A 263 11.382 1.651 -8.293 1.00 15.00 H new ATOM 0 HD12 LEU A 263 10.230 3.007 -8.270 1.00 15.00 H new ATOM 0 HD13 LEU A 263 11.776 3.167 -9.137 1.00 15.00 H new ATOM 0 HD21 LEU A 263 13.467 1.761 -6.979 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.940 3.278 -7.781 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.841 3.203 -6.006 1.00 15.00 H new ATOM 545 N ASP A 264 11.818 7.750 -5.217 1.00 15.00 N ATOM 546 CA ASP A 264 11.808 9.206 -5.385 1.00 15.00 C ATOM 547 C ASP A 264 13.175 9.861 -5.135 1.00 15.00 C ATOM 548 O ASP A 264 13.620 10.668 -5.952 1.00 15.00 O ATOM 549 CB ASP A 264 10.740 9.868 -4.510 1.00 15.00 C ATOM 550 CG ASP A 264 9.336 9.660 -5.038 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.915 10.428 -5.927 1.00 15.00 O ATOM 552 OD2 ASP A 264 8.643 8.737 -4.567 1.00 15.00 O1- ATOM 0 H ASP A 264 11.200 7.405 -4.482 1.00 15.00 H new ATOM 0 HA ASP A 264 11.562 9.372 -6.434 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.806 9.467 -3.499 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.943 10.937 -4.443 1.00 15.00 H new ATOM 557 N PRO A 265 13.846 9.563 -4.002 1.00 15.00 N ATOM 558 CA PRO A 265 15.178 10.103 -3.703 1.00 15.00 C ATOM 559 C PRO A 265 16.216 9.683 -4.740 1.00 15.00 C ATOM 560 O PRO A 265 16.671 10.550 -5.515 1.00 15.00 O ATOM 561 CB PRO A 265 15.521 9.509 -2.330 1.00 15.00 C ATOM 562 CG PRO A 265 14.612 8.340 -2.178 1.00 15.00 C ATOM 563 CD PRO A 265 13.361 8.700 -2.922 1.00 15.00 C ATOM 564 OXT PRO A 265 16.563 8.483 -4.789 1.00 15.00 O ATOM 0 HA PRO A 265 15.182 11.193 -3.715 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.567 9.205 -2.282 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.364 10.237 -1.534 1.00 15.00 H new ATOM 0 HG2 PRO A 265 15.064 7.436 -2.587 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.400 8.143 -1.127 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.856 7.816 -3.310 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.648 9.219 -2.282 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -7.157 11.349 -4.199 1.00 15.00 N ATOM 574 CA SER B 206 -7.960 10.120 -4.059 1.00 15.00 C ATOM 575 C SER B 206 -7.430 9.269 -2.911 1.00 15.00 C ATOM 576 O SER B 206 -6.273 8.850 -2.926 1.00 15.00 O ATOM 577 CB SER B 206 -7.924 9.328 -5.367 1.00 15.00 C ATOM 578 OG SER B 206 -8.396 10.115 -6.451 1.00 15.00 O ATOM 0 HA SER B 206 -8.992 10.393 -3.837 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.905 8.998 -5.569 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.536 8.431 -5.270 1.00 15.00 H new ATOM 0 HG SER B 206 -8.109 11.044 -6.330 1.00 15.00 H new ATOM 586 N PRO B 207 -8.269 9.007 -1.898 1.00 15.00 N ATOM 587 CA PRO B 207 -7.875 8.213 -0.734 1.00 15.00 C ATOM 588 C PRO B 207 -7.717 6.730 -1.067 1.00 15.00 C ATOM 589 O PRO B 207 -8.596 6.124 -1.686 1.00 15.00 O ATOM 590 CB PRO B 207 -9.029 8.423 0.249 1.00 15.00 C ATOM 591 CG PRO B 207 -10.206 8.747 -0.603 1.00 15.00 C ATOM 592 CD PRO B 207 -9.669 9.467 -1.810 1.00 15.00 C ATOM 0 HA PRO B 207 -6.905 8.519 -0.343 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.208 7.528 0.845 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.812 9.232 0.946 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.736 7.840 -0.895 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.917 9.372 -0.062 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.231 9.215 -2.709 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.728 10.549 -1.690 1.00 15.00 H new ATOM 600 N PRO B 208 -6.584 6.132 -0.671 1.00 15.00 N ATOM 601 CA PRO B 208 -6.320 4.708 -0.879 1.00 15.00 C ATOM 602 C PRO B 208 -7.178 3.834 0.034 1.00 15.00 C ATOM 603 O PRO B 208 -7.522 4.245 1.146 1.00 15.00 O ATOM 604 CB PRO B 208 -4.832 4.556 -0.517 1.00 15.00 C ATOM 605 CG PRO B 208 -4.301 5.944 -0.404 1.00 15.00 C ATOM 606 CD PRO B 208 -5.464 6.791 0.007 1.00 15.00 C ATOM 0 HA PRO B 208 -6.554 4.393 -1.896 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.710 4.013 0.420 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.298 3.994 -1.283 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.499 5.997 0.332 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.886 6.283 -1.353 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.595 6.805 1.089 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.347 7.826 -0.313 1.00 15.00 H new ATOM 614 N PRO B 209 -7.519 2.615 -0.426 1.00 15.00 N ATOM 615 CA PRO B 209 -8.309 1.654 0.346 1.00 15.00 C ATOM 616 C PRO B 209 -7.781 1.473 1.767 1.00 15.00 C ATOM 617 O PRO B 209 -6.568 1.392 1.989 1.00 15.00 O ATOM 618 CB PRO B 209 -8.170 0.340 -0.444 1.00 15.00 C ATOM 619 CG PRO B 209 -7.157 0.605 -1.509 1.00 15.00 C ATOM 620 CD PRO B 209 -7.174 2.084 -1.745 1.00 15.00 C ATOM 0 HA PRO B 209 -9.340 1.988 0.462 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -7.849 -0.474 0.206 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.125 0.043 -0.879 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.167 0.272 -1.196 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.402 0.062 -2.422 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.207 2.451 -2.089 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.908 2.365 -2.500 1.00 15.00 H new ATOM 628 N PRO B 210 -8.698 1.388 2.741 1.00 15.00 N ATOM 629 CA PRO B 210 -8.356 1.297 4.161 1.00 15.00 C ATOM 630 C PRO B 210 -7.424 0.133 4.479 1.00 15.00 C ATOM 631 O PRO B 210 -7.637 -0.995 4.036 1.00 15.00 O ATOM 632 CB PRO B 210 -9.711 1.093 4.855 1.00 15.00 C ATOM 633 CG PRO B 210 -10.658 0.701 3.773 1.00 15.00 C ATOM 634 CD PRO B 210 -10.151 1.361 2.527 1.00 15.00 C ATOM 0 HA PRO B 210 -7.818 2.186 4.491 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.647 0.319 5.620 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.039 2.006 5.352 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.691 -0.382 3.656 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.672 1.028 4.004 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.418 0.797 1.633 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.561 2.364 2.405 1.00 15.00 H new ATOM 642 N TYR B 211 -6.401 0.425 5.272 1.00 15.00 N ATOM 643 CA TYR B 211 -5.456 -0.581 5.748 1.00 15.00 C ATOM 644 C TYR B 211 -6.156 -1.620 6.635 1.00 15.00 C ATOM 645 O TYR B 211 -5.600 -2.675 6.936 1.00 15.00 O ATOM 646 CB TYR B 211 -4.317 0.126 6.500 1.00 15.00 C ATOM 647 CG TYR B 211 -3.467 -0.767 7.377 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.618 -1.720 6.833 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.517 -0.647 8.755 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.843 -2.529 7.643 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.746 -1.447 9.573 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.911 -2.389 9.014 1.00 15.00 C ATOM 653 OH TYR B 211 -1.142 -3.192 9.824 1.00 15.00 O ATOM 0 H TYR B 211 -6.201 1.368 5.605 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.041 -1.122 4.898 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.670 0.613 5.770 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.747 0.913 7.120 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.562 -1.832 5.760 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.173 0.088 9.199 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.187 -3.267 7.205 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.797 -1.335 10.646 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.308 -2.964 10.763 1.00 15.00 H new ATOM 663 N SER B 212 -7.383 -1.309 7.040 1.00 15.00 N ATOM 664 CA SER B 212 -8.174 -2.203 7.870 1.00 15.00 C ATOM 665 C SER B 212 -8.410 -3.541 7.169 1.00 15.00 C ATOM 666 O SER B 212 -8.057 -4.596 7.701 1.00 15.00 O ATOM 667 CB SER B 212 -9.507 -1.537 8.205 1.00 15.00 C ATOM 668 OG SER B 212 -9.302 -0.259 8.789 1.00 15.00 O ATOM 0 H SER B 212 -7.852 -0.435 6.803 1.00 15.00 H new ATOM 0 HA SER B 212 -7.625 -2.403 8.790 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.105 -1.436 7.300 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.071 -2.169 8.891 1.00 15.00 H new ATOM 0 HG SER B 212 -10.169 0.150 8.994 1.00 15.00 H new ATOM 674 N ARG B 213 -9.014 -3.500 5.985 1.00 15.00 N ATOM 675 CA ARG B 213 -9.264 -4.713 5.225 1.00 15.00 C ATOM 676 C ARG B 213 -9.257 -4.425 3.727 1.00 15.00 C ATOM 677 O ARG B 213 -9.354 -3.276 3.305 1.00 15.00 O ATOM 678 CB ARG B 213 -10.568 -5.380 5.642 1.00 15.00 C ATOM 679 CG ARG B 213 -10.623 -6.845 5.244 1.00 15.00 C ATOM 680 CD ARG B 213 -9.638 -7.693 6.039 1.00 15.00 C ATOM 681 NE ARG B 213 -9.882 -9.121 5.833 1.00 15.00 N ATOM 682 CZ ARG B 213 -9.641 -10.071 6.735 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.120 -9.773 7.916 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -9.932 -11.331 6.455 1.00 15.00 N ATOM 0 H ARG B 213 -9.337 -2.643 5.536 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.455 -5.410 5.445 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.687 -5.295 6.722 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.405 -4.851 5.187 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.633 -7.224 5.398 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.406 -6.939 4.180 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.619 -7.449 5.739 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.724 -7.456 7.100 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.265 -9.410 4.933 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.897 -8.804 8.145 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.941 -10.512 8.596 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.339 -11.572 5.551 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.749 -12.062 7.143 1.00 15.00 H new ATOM 698 N TYR B 214 -9.172 -5.486 2.937 1.00 15.00 N ATOM 699 CA TYR B 214 -8.848 -5.384 1.520 1.00 15.00 C ATOM 700 C TYR B 214 -10.118 -5.229 0.695 1.00 15.00 C ATOM 701 O TYR B 214 -11.166 -5.759 1.053 1.00 15.00 O ATOM 702 CB TYR B 214 -8.082 -6.644 1.063 1.00 15.00 C ATOM 703 CG TYR B 214 -7.104 -7.185 2.092 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.621 -6.377 3.110 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.688 -8.509 2.062 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.767 -6.857 4.064 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.817 -9.003 3.017 1.00 15.00 C ATOM 708 CZ TYR B 214 -5.361 -8.171 4.019 1.00 15.00 C ATOM 709 OH TYR B 214 -4.503 -8.658 4.979 1.00 15.00 O ATOM 0 H TYR B 214 -9.325 -6.441 3.259 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.220 -4.506 1.369 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.802 -7.424 0.817 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.538 -6.413 0.147 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.927 -5.342 3.150 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.049 -9.163 1.282 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.412 -6.207 4.850 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.496 -10.033 2.978 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.317 -9.604 4.802 1.00 15.00 H new ATOM 719 N PRO B 215 -10.018 -4.555 -0.462 1.00 15.00 N ATOM 720 CA PRO B 215 -11.158 -4.301 -1.344 1.00 15.00 C ATOM 721 C PRO B 215 -11.521 -5.545 -2.158 1.00 15.00 C ATOM 722 O PRO B 215 -12.298 -5.486 -3.112 1.00 15.00 O ATOM 723 CB PRO B 215 -10.662 -3.166 -2.263 1.00 15.00 C ATOM 724 CG PRO B 215 -9.272 -2.831 -1.808 1.00 15.00 C ATOM 725 CD PRO B 215 -8.786 -4.007 -1.022 1.00 15.00 C ATOM 0 HA PRO B 215 -12.062 -4.039 -0.794 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.664 -3.482 -3.306 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.314 -2.296 -2.192 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.621 -2.639 -2.661 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.271 -1.929 -1.196 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.272 -4.731 -1.654 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.085 -3.710 -0.242 1.00 15.00 H new ATOM 733 N MET B 216 -10.944 -6.672 -1.759 1.00 15.00 N ATOM 734 CA MET B 216 -11.199 -7.953 -2.401 1.00 15.00 C ATOM 735 C MET B 216 -11.809 -8.928 -1.396 1.00 15.00 C ATOM 736 O MET B 216 -12.272 -10.008 -1.760 1.00 15.00 O ATOM 737 CB MET B 216 -9.888 -8.528 -2.958 1.00 15.00 C ATOM 738 CG MET B 216 -10.047 -9.844 -3.706 1.00 15.00 C ATOM 739 SD MET B 216 -10.881 -9.649 -5.291 1.00 15.00 S ATOM 740 CE MET B 216 -9.659 -8.699 -6.190 1.00 15.00 C ATOM 0 H MET B 216 -10.286 -6.722 -0.981 1.00 15.00 H new ATOM 0 HA MET B 216 -11.901 -7.805 -3.222 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.440 -7.795 -3.628 1.00 15.00 H new ATOM 0 HB3 MET B 216 -9.190 -8.675 -2.133 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.064 -10.285 -3.870 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.611 -10.543 -3.087 1.00 15.00 H new ATOM 0 HE1 MET B 216 -9.986 -7.662 -6.263 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.705 -8.742 -5.664 1.00 15.00 H new ATOM 0 HE3 MET B 216 -9.540 -9.113 -7.191 1.00 15.00 H new ATOM 750 N ASP B 217 -11.824 -8.530 -0.128 1.00 15.00 N ATOM 751 CA ASP B 217 -12.233 -9.423 0.949 1.00 15.00 C ATOM 752 C ASP B 217 -13.123 -8.693 1.948 1.00 15.00 C ATOM 753 O ASP B 217 -14.361 -8.836 1.857 1.00 15.00 O ATOM 754 CB ASP B 217 -10.998 -9.988 1.655 1.00 15.00 C ATOM 755 CG ASP B 217 -11.348 -10.919 2.798 1.00 15.00 C ATOM 756 OD1 ASP B 217 -11.716 -12.083 2.534 1.00 15.00 O ATOM 757 OD2 ASP B 217 -11.234 -10.503 3.968 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -12.589 -7.967 2.808 1.00 15.00 O ATOM 0 H ASP B 217 -11.557 -7.594 0.179 1.00 15.00 H new ATOM 0 HA ASP B 217 -12.806 -10.245 0.519 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -10.385 -10.524 0.931 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -10.394 -9.164 2.036 1.00 15.00 H new TER 763 ASP B 217