USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=13 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 K(o=-3.4,f=-2.8) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -3.42! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 250 ASN : amide:sc= 0.561 K(o=-0.39,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.954 K(o=-0.39,f=0.19) USER MOD Single : A 238 GLN : amide:sc= -3.88! C(o=-3.9!,f=-6.5!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= -0.916 USER MOD Single : A 248 TYR OH : rot -30:sc= -1.37 USER MOD Single : A 252 LYS NZ :NH3+ 143:sc= 0.0172 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 180:sc= -0.7 USER MOD Single : A 257 SER OG : rot 141:sc= 0.153 USER MOD Single : B 206 SER OG : rot 28:sc= 0.132 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00131 USER MOD Single : B 216 MET CE :methyl -141:sc= -1.4 (180deg=-4.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.624 -1.015 -6.216 1.00 15.00 N ATOM 2 CA GLY A 230 11.967 -1.299 -5.653 1.00 15.00 C ATOM 3 C GLY A 230 11.891 -1.767 -4.217 1.00 15.00 C ATOM 4 O GLY A 230 10.833 -2.200 -3.767 1.00 15.00 O ATOM 0 HA2 GLY A 230 12.460 -2.061 -6.257 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.581 -0.400 -5.710 1.00 15.00 H new ATOM 10 N PRO A 231 13.007 -1.718 -3.474 1.00 15.00 N ATOM 11 CA PRO A 231 13.019 -2.081 -2.056 1.00 15.00 C ATOM 12 C PRO A 231 12.294 -1.047 -1.200 1.00 15.00 C ATOM 13 O PRO A 231 12.700 0.116 -1.135 1.00 15.00 O ATOM 14 CB PRO A 231 14.508 -2.125 -1.708 1.00 15.00 C ATOM 15 CG PRO A 231 15.161 -1.227 -2.701 1.00 15.00 C ATOM 16 CD PRO A 231 14.342 -1.325 -3.958 1.00 15.00 C ATOM 0 HA PRO A 231 12.504 -3.023 -1.867 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.686 -1.782 -0.689 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.900 -3.140 -1.776 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.192 -0.200 -2.336 1.00 15.00 H new ATOM 0 HG3 PRO A 231 16.191 -1.532 -2.883 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.311 -0.375 -4.491 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.752 -2.064 -4.647 1.00 15.00 H new ATOM 24 N LEU A 232 11.208 -1.468 -0.570 1.00 15.00 N ATOM 25 CA LEU A 232 10.429 -0.577 0.273 1.00 15.00 C ATOM 26 C LEU A 232 11.077 -0.400 1.638 1.00 15.00 C ATOM 27 O LEU A 232 11.916 -1.208 2.036 1.00 15.00 O ATOM 28 CB LEU A 232 8.963 -1.009 0.441 1.00 15.00 C ATOM 29 CG LEU A 232 8.068 -0.745 -0.766 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.202 0.690 -1.234 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.364 -1.705 -1.904 1.00 15.00 C ATOM 0 H LEU A 232 10.847 -2.420 -0.627 1.00 15.00 H new ATOM 0 HA LEU A 232 10.418 0.379 -0.251 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.938 -2.075 0.666 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.545 -0.491 1.304 1.00 15.00 H new ATOM 0 HG LEU A 232 7.038 -0.912 -0.450 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.554 0.854 -2.095 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.911 1.364 -0.428 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.237 0.886 -1.516 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.707 -1.486 -2.745 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.402 -1.591 -2.215 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.196 -2.729 -1.570 1.00 15.00 H new ATOM 43 N PRO A 233 10.704 0.670 2.376 1.00 15.00 N ATOM 44 CA PRO A 233 11.255 0.975 3.715 1.00 15.00 C ATOM 45 C PRO A 233 11.016 -0.144 4.735 1.00 15.00 C ATOM 46 O PRO A 233 11.498 -0.066 5.867 1.00 15.00 O ATOM 47 CB PRO A 233 10.468 2.233 4.107 1.00 15.00 C ATOM 48 CG PRO A 233 10.208 2.871 2.801 1.00 15.00 C ATOM 49 CD PRO A 233 9.736 1.723 1.975 1.00 15.00 C ATOM 0 HA PRO A 233 12.338 1.096 3.698 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.543 1.986 4.629 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.043 2.882 4.768 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.455 3.656 2.874 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.106 3.329 2.386 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.707 1.446 2.203 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.779 1.938 0.907 1.00 15.00 H new ATOM 57 N ASP A 234 10.199 -1.125 4.334 1.00 15.00 N ATOM 58 CA ASP A 234 9.922 -2.346 5.112 1.00 15.00 C ATOM 59 C ASP A 234 8.748 -2.148 6.044 1.00 15.00 C ATOM 60 O ASP A 234 8.450 -3.005 6.875 1.00 15.00 O ATOM 61 CB ASP A 234 11.142 -2.833 5.911 1.00 15.00 C ATOM 62 CG ASP A 234 12.221 -3.442 5.040 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.945 -4.462 4.374 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.359 -2.922 5.042 1.00 15.00 O1- ATOM 0 H ASP A 234 9.701 -1.095 3.444 1.00 15.00 H new ATOM 0 HA ASP A 234 9.676 -3.117 4.382 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.563 -1.995 6.467 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.817 -3.571 6.645 1.00 15.00 H new ATOM 69 N GLY A 235 8.056 -1.041 5.875 1.00 15.00 N ATOM 70 CA GLY A 235 6.850 -0.815 6.634 1.00 15.00 C ATOM 71 C GLY A 235 5.618 -1.245 5.873 1.00 15.00 C ATOM 72 O GLY A 235 4.592 -1.572 6.472 1.00 15.00 O ATOM 0 H GLY A 235 8.305 -0.294 5.227 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.905 -1.362 7.575 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.771 0.243 6.885 1.00 15.00 H new ATOM 76 N TRP A 236 5.723 -1.279 4.549 1.00 15.00 N ATOM 77 CA TRP A 236 4.565 -1.536 3.713 1.00 15.00 C ATOM 78 C TRP A 236 4.819 -2.488 2.557 1.00 15.00 C ATOM 79 O TRP A 236 5.910 -2.548 1.988 1.00 15.00 O ATOM 80 CB TRP A 236 3.926 -0.238 3.202 1.00 15.00 C ATOM 81 CG TRP A 236 4.832 0.948 3.005 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.182 0.979 2.765 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.407 2.316 3.043 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.605 2.279 2.666 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.538 3.115 2.830 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.170 2.938 3.240 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.476 4.507 2.813 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.107 4.318 3.221 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.255 5.089 3.009 1.00 15.00 C ATOM 0 H TRP A 236 6.594 -1.132 4.038 1.00 15.00 H new ATOM 0 HA TRP A 236 3.863 -2.043 4.375 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.441 -0.453 2.250 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.141 0.050 3.902 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.816 0.110 2.669 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.566 2.575 2.496 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.279 2.350 3.404 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.361 5.104 2.651 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.157 4.809 3.372 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.175 6.166 3.000 1.00 15.00 H new ATOM 100 N GLU A 237 3.744 -3.192 2.209 1.00 15.00 N ATOM 101 CA GLU A 237 3.735 -4.205 1.172 1.00 15.00 C ATOM 102 C GLU A 237 2.704 -3.817 0.105 1.00 15.00 C ATOM 103 O GLU A 237 1.628 -3.309 0.435 1.00 15.00 O ATOM 104 CB GLU A 237 3.381 -5.552 1.822 1.00 15.00 C ATOM 105 CG GLU A 237 3.169 -6.692 0.847 1.00 15.00 C ATOM 106 CD GLU A 237 4.399 -6.999 0.018 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.549 -6.411 -1.073 1.00 15.00 O ATOM 108 OE2 GLU A 237 5.211 -7.844 0.448 1.00 15.00 O1- ATOM 0 H GLU A 237 2.836 -3.066 2.655 1.00 15.00 H new ATOM 0 HA GLU A 237 4.710 -4.287 0.691 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.178 -5.827 2.513 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.475 -5.426 2.415 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.878 -7.585 1.399 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.342 -6.445 0.182 1.00 15.00 H new ATOM 115 N GLN A 238 3.021 -4.078 -1.159 1.00 15.00 N ATOM 116 CA GLN A 238 2.173 -3.646 -2.267 1.00 15.00 C ATOM 117 C GLN A 238 1.129 -4.723 -2.605 1.00 15.00 C ATOM 118 O GLN A 238 1.483 -5.813 -3.057 1.00 15.00 O ATOM 119 CB GLN A 238 3.039 -3.345 -3.497 1.00 15.00 C ATOM 120 CG GLN A 238 2.275 -2.782 -4.685 1.00 15.00 C ATOM 121 CD GLN A 238 3.160 -2.609 -5.907 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.952 -1.712 -6.721 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.155 -3.471 -6.045 1.00 15.00 N ATOM 0 H GLN A 238 3.859 -4.586 -1.443 1.00 15.00 H new ATOM 0 HA GLN A 238 1.645 -2.740 -1.969 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.817 -2.636 -3.213 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.540 -4.262 -3.806 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.446 -3.447 -4.930 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.842 -1.819 -4.413 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.296 -4.203 -5.348 1.00 15.00 H new ATOM 0 HE22 GLN A 238 4.780 -3.404 -6.848 1.00 15.00 H new ATOM 132 N ALA A 239 -0.149 -4.428 -2.370 1.00 15.00 N ATOM 133 CA ALA A 239 -1.218 -5.369 -2.673 1.00 15.00 C ATOM 134 C ALA A 239 -2.066 -4.858 -3.832 1.00 15.00 C ATOM 135 O ALA A 239 -2.190 -3.654 -4.028 1.00 15.00 O ATOM 136 CB ALA A 239 -2.079 -5.606 -1.441 1.00 15.00 C ATOM 0 H ALA A 239 -0.466 -3.544 -1.971 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.772 -6.318 -2.969 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.874 -6.312 -1.683 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.463 -6.014 -0.640 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.518 -4.662 -1.117 1.00 15.00 H new ATOM 142 N MET A 240 -2.638 -5.769 -4.605 1.00 15.00 N ATOM 143 CA MET A 240 -3.425 -5.388 -5.774 1.00 15.00 C ATOM 144 C MET A 240 -4.917 -5.517 -5.496 1.00 15.00 C ATOM 145 O MET A 240 -5.368 -6.530 -4.957 1.00 15.00 O ATOM 146 CB MET A 240 -3.071 -6.274 -6.973 1.00 15.00 C ATOM 147 CG MET A 240 -1.625 -6.167 -7.428 1.00 15.00 C ATOM 148 SD MET A 240 -1.298 -7.154 -8.902 1.00 15.00 S ATOM 149 CE MET A 240 0.451 -6.837 -9.147 1.00 15.00 C ATOM 0 H MET A 240 -2.574 -6.775 -4.447 1.00 15.00 H new ATOM 0 HA MET A 240 -3.189 -4.348 -6.000 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.283 -7.312 -6.717 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.722 -6.012 -7.807 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.387 -5.123 -7.632 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.967 -6.493 -6.622 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.800 -7.381 -10.025 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.610 -5.769 -9.295 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.007 -7.168 -8.270 1.00 15.00 H new ATOM 159 N THR A 241 -5.681 -4.500 -5.873 1.00 15.00 N ATOM 160 CA THR A 241 -7.130 -4.597 -5.839 1.00 15.00 C ATOM 161 C THR A 241 -7.667 -4.658 -7.268 1.00 15.00 C ATOM 162 O THR A 241 -7.165 -3.969 -8.164 1.00 15.00 O ATOM 163 CB THR A 241 -7.797 -3.433 -5.050 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.217 -3.629 -4.997 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.503 -2.071 -5.668 1.00 15.00 C ATOM 0 H THR A 241 -5.322 -3.604 -6.204 1.00 15.00 H new ATOM 0 HA THR A 241 -7.387 -5.512 -5.305 1.00 15.00 H new ATOM 0 HB THR A 241 -7.374 -3.443 -4.045 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.630 -2.894 -4.498 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.990 -1.292 -5.081 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.427 -1.900 -5.676 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.882 -2.046 -6.690 1.00 15.00 H new ATOM 173 N GLN A 242 -8.676 -5.500 -7.476 1.00 15.00 N ATOM 174 CA GLN A 242 -9.257 -5.713 -8.802 1.00 15.00 C ATOM 175 C GLN A 242 -9.930 -4.440 -9.321 1.00 15.00 C ATOM 176 O GLN A 242 -10.304 -4.351 -10.489 1.00 15.00 O ATOM 177 CB GLN A 242 -10.250 -6.884 -8.754 1.00 15.00 C ATOM 178 CG GLN A 242 -10.824 -7.276 -10.107 1.00 15.00 C ATOM 179 CD GLN A 242 -11.581 -8.588 -10.060 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.011 -9.655 -10.299 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.860 -8.526 -9.727 1.00 15.00 N ATOM 0 H GLN A 242 -9.113 -6.051 -6.737 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.456 -5.963 -9.498 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.751 -7.750 -8.320 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.071 -6.621 -8.087 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.491 -6.488 -10.457 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.014 -7.354 -10.833 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.294 -7.623 -9.537 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.412 -9.381 -9.660 1.00 15.00 H new ATOM 190 N ASP A 243 -10.061 -3.451 -8.443 1.00 15.00 N ATOM 191 CA ASP A 243 -10.650 -2.166 -8.802 1.00 15.00 C ATOM 192 C ASP A 243 -9.724 -1.386 -9.748 1.00 15.00 C ATOM 193 O ASP A 243 -10.058 -0.296 -10.211 1.00 15.00 O ATOM 194 CB ASP A 243 -10.934 -1.357 -7.534 1.00 15.00 C ATOM 195 CG ASP A 243 -11.870 -0.191 -7.780 1.00 15.00 C ATOM 196 OD1 ASP A 243 -13.019 -0.431 -8.205 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -11.466 0.966 -7.535 1.00 15.00 O ATOM 0 H ASP A 243 -9.764 -3.516 -7.469 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.589 -2.343 -9.327 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.368 -2.013 -6.779 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.994 -0.983 -7.129 1.00 15.00 H new ATOM 202 N GLY A 244 -8.555 -1.960 -10.028 1.00 15.00 N ATOM 203 CA GLY A 244 -7.664 -1.398 -11.030 1.00 15.00 C ATOM 204 C GLY A 244 -6.527 -0.576 -10.451 1.00 15.00 C ATOM 205 O GLY A 244 -5.999 0.307 -11.125 1.00 15.00 O ATOM 0 H GLY A 244 -8.209 -2.807 -9.577 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -7.246 -2.209 -11.626 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -8.244 -0.771 -11.707 1.00 15.00 H new ATOM 209 N GLU A 245 -6.129 -0.872 -9.218 1.00 15.00 N ATOM 210 CA GLU A 245 -5.057 -0.132 -8.560 1.00 15.00 C ATOM 211 C GLU A 245 -4.298 -1.016 -7.584 1.00 15.00 C ATOM 212 O GLU A 245 -4.855 -1.954 -7.011 1.00 15.00 O ATOM 213 CB GLU A 245 -5.603 1.071 -7.791 1.00 15.00 C ATOM 214 CG GLU A 245 -6.095 2.218 -8.657 1.00 15.00 C ATOM 215 CD GLU A 245 -4.976 2.905 -9.415 1.00 15.00 C ATOM 216 OE1 GLU A 245 -3.806 2.491 -9.283 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -5.263 3.880 -10.141 1.00 15.00 O ATOM 0 H GLU A 245 -6.533 -1.620 -8.654 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.385 0.210 -9.347 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.424 0.736 -7.158 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.822 1.445 -7.129 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -6.831 1.841 -9.367 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.604 2.949 -8.029 1.00 15.00 H new ATOM 224 N ILE A 246 -3.027 -0.719 -7.401 1.00 15.00 N ATOM 225 CA ILE A 246 -2.258 -1.333 -6.334 1.00 15.00 C ATOM 226 C ILE A 246 -2.157 -0.351 -5.170 1.00 15.00 C ATOM 227 O ILE A 246 -2.193 0.864 -5.374 1.00 15.00 O ATOM 228 CB ILE A 246 -0.839 -1.770 -6.778 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.099 -0.567 -6.972 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.910 -2.600 -8.053 1.00 15.00 C ATOM 231 CD1 ILE A 246 -0.203 0.293 -8.182 1.00 15.00 C ATOM 0 H ILE A 246 -2.504 -0.058 -7.975 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.781 -2.241 -6.034 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.423 -2.383 -5.979 1.00 15.00 H new ATOM 0 HG12 ILE A 246 0.052 0.058 -6.080 1.00 15.00 H new ATOM 0 HG13 ILE A 246 1.123 -0.933 -7.052 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.096 -2.898 -8.350 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.514 -3.490 -7.875 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.362 -2.007 -8.848 1.00 15.00 H new ATOM 0 HD11 ILE A 246 0.512 1.114 -8.232 1.00 15.00 H new ATOM 0 HD12 ILE A 246 -0.126 -0.311 -9.086 1.00 15.00 H new ATOM 0 HD13 ILE A 246 -1.213 0.695 -8.100 1.00 15.00 H new ATOM 243 N TYR A 247 -2.064 -0.867 -3.957 1.00 15.00 N ATOM 244 CA TYR A 247 -2.010 -0.016 -2.782 1.00 15.00 C ATOM 245 C TYR A 247 -1.032 -0.585 -1.740 1.00 15.00 C ATOM 246 O TYR A 247 -1.025 -1.792 -1.485 1.00 15.00 O ATOM 247 CB TYR A 247 -3.418 0.151 -2.175 1.00 15.00 C ATOM 248 CG TYR A 247 -4.095 -1.142 -1.744 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.572 -2.051 -2.682 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.263 -1.447 -0.397 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.191 -3.225 -2.294 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.883 -2.621 0.000 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.343 -3.504 -0.953 1.00 15.00 C ATOM 254 OH TYR A 247 -5.958 -4.674 -0.566 1.00 15.00 O ATOM 0 H TYR A 247 -2.024 -1.867 -3.760 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.646 0.966 -3.085 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.348 0.811 -1.311 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.055 0.650 -2.906 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.457 -1.836 -3.734 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.904 -0.757 0.352 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.553 -3.919 -3.038 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -5.005 -2.843 1.050 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.986 -4.721 0.412 1.00 15.00 H new ATOM 264 N TYR A 248 -0.213 0.278 -1.138 1.00 15.00 N ATOM 265 CA TYR A 248 0.711 -0.134 -0.094 1.00 15.00 C ATOM 266 C TYR A 248 0.059 -0.030 1.273 1.00 15.00 C ATOM 267 O TYR A 248 -0.362 1.051 1.693 1.00 15.00 O ATOM 268 CB TYR A 248 1.973 0.731 -0.112 1.00 15.00 C ATOM 269 CG TYR A 248 2.995 0.297 -1.129 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.893 0.679 -2.461 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.064 -0.501 -0.754 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.828 0.271 -3.392 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.000 -0.910 -1.676 1.00 15.00 C ATOM 274 CZ TYR A 248 4.879 -0.524 -2.993 1.00 15.00 C ATOM 275 OH TYR A 248 5.810 -0.941 -3.915 1.00 15.00 O ATOM 0 H TYR A 248 -0.175 1.273 -1.361 1.00 15.00 H new ATOM 0 HA TYR A 248 0.983 -1.172 -0.287 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.691 1.764 -0.313 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.429 0.712 0.878 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.070 1.305 -2.773 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.164 -0.806 0.277 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.736 0.573 -4.425 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.827 -1.532 -1.368 1.00 15.00 H new ATOM 0 HH TYR A 248 5.385 -1.025 -4.794 1.00 15.00 H new ATOM 285 N ILE A 249 -0.027 -1.153 1.960 1.00 15.00 N ATOM 286 CA ILE A 249 -0.520 -1.171 3.321 1.00 15.00 C ATOM 287 C ILE A 249 0.653 -1.178 4.291 1.00 15.00 C ATOM 288 O ILE A 249 1.425 -2.139 4.338 1.00 15.00 O ATOM 289 CB ILE A 249 -1.436 -2.388 3.583 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.830 -3.666 2.989 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.823 -2.135 3.014 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.688 -4.897 3.183 1.00 15.00 C ATOM 0 H ILE A 249 0.240 -2.067 1.595 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.118 -0.272 3.475 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.523 -2.528 4.660 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.663 -3.516 1.922 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.146 -3.839 3.443 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.458 -3.000 3.205 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.256 -1.255 3.489 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.751 -1.969 1.939 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.193 -5.759 2.736 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.835 -5.074 4.248 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.655 -4.745 2.704 1.00 15.00 H new ATOM 304 N ASN A 250 0.798 -0.109 5.058 1.00 15.00 N ATOM 305 CA ASN A 250 1.916 -0.002 5.978 1.00 15.00 C ATOM 306 C ASN A 250 1.514 -0.608 7.327 1.00 15.00 C ATOM 307 O ASN A 250 0.699 -0.014 8.037 1.00 15.00 O ATOM 308 CB ASN A 250 2.336 1.462 6.160 1.00 15.00 C ATOM 309 CG ASN A 250 3.625 1.621 6.954 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.899 0.869 7.888 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.434 2.602 6.580 1.00 15.00 N ATOM 0 H ASN A 250 0.162 0.689 5.062 1.00 15.00 H new ATOM 0 HA ASN A 250 2.767 -0.546 5.568 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.461 1.922 5.180 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.536 2.003 6.666 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.315 2.752 7.071 1.00 15.00 H new ATOM 0 HD22 ASN A 250 4.175 3.207 5.801 1.00 15.00 H new ATOM 318 N HIS A 251 2.061 -1.787 7.679 1.00 15.00 N ATOM 319 CA HIS A 251 1.627 -2.514 8.862 1.00 15.00 C ATOM 320 C HIS A 251 2.279 -1.957 10.120 1.00 15.00 C ATOM 321 O HIS A 251 1.883 -2.287 11.239 1.00 15.00 O ATOM 322 CB HIS A 251 1.958 -4.005 8.714 1.00 15.00 C ATOM 323 CG HIS A 251 1.172 -4.708 7.642 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.668 -4.975 6.379 1.00 15.00 N ATOM 325 CD2 HIS A 251 -0.083 -5.217 7.660 1.00 15.00 C ATOM 326 CE1 HIS A 251 0.755 -5.612 5.677 1.00 15.00 C ATOM 327 NE2 HIS A 251 -0.318 -5.776 6.426 1.00 15.00 N ATOM 0 H HIS A 251 2.804 -2.247 7.153 1.00 15.00 H new ATOM 0 HA HIS A 251 0.548 -2.393 8.957 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.021 -4.110 8.497 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.777 -4.502 9.667 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.772 -5.189 8.491 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.866 -5.945 4.656 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -1.179 -6.240 6.138 1.00 15.00 H new ATOM 336 N LYS A 252 3.293 -1.128 9.931 1.00 15.00 N ATOM 337 CA LYS A 252 4.001 -0.527 11.052 1.00 15.00 C ATOM 338 C LYS A 252 3.428 0.844 11.411 1.00 15.00 C ATOM 339 O LYS A 252 3.223 1.151 12.587 1.00 15.00 O ATOM 340 CB LYS A 252 5.492 -0.410 10.739 1.00 15.00 C ATOM 341 CG LYS A 252 6.152 -1.753 10.489 1.00 15.00 C ATOM 342 CD LYS A 252 7.637 -1.604 10.214 1.00 15.00 C ATOM 343 CE LYS A 252 8.287 -2.953 9.964 1.00 15.00 C ATOM 344 NZ LYS A 252 9.744 -2.828 9.703 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.645 -0.856 9.013 1.00 15.00 H new ATOM 0 HA LYS A 252 3.867 -1.180 11.914 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.625 0.223 9.862 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.994 0.087 11.569 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.005 -2.398 11.355 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.672 -2.243 9.642 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.786 -0.959 9.348 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.119 -1.116 11.061 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.127 -3.598 10.828 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.806 -3.435 9.113 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 10.244 -3.630 10.136 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 9.914 -2.827 8.677 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 10.095 -1.939 10.113 1.00 15.00 H new ATOM 358 N ASN A 253 3.180 1.672 10.405 1.00 15.00 N ATOM 359 CA ASN A 253 2.667 3.018 10.635 1.00 15.00 C ATOM 360 C ASN A 253 1.151 3.061 10.510 1.00 15.00 C ATOM 361 O ASN A 253 0.540 4.101 10.752 1.00 15.00 O ATOM 362 CB ASN A 253 3.293 4.014 9.652 1.00 15.00 C ATOM 363 CG ASN A 253 4.792 4.179 9.834 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.519 4.420 8.871 1.00 15.00 O ATOM 365 ND2 ASN A 253 5.265 4.061 11.066 1.00 15.00 N ATOM 0 H ASN A 253 3.325 1.437 9.423 1.00 15.00 H new ATOM 0 HA ASN A 253 2.940 3.301 11.652 1.00 15.00 H new ATOM 0 HB2 ASN A 253 3.092 3.683 8.633 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.811 4.984 9.772 1.00 15.00 H new ATOM 0 HD21 ASN A 253 6.264 4.171 11.241 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.630 3.861 11.839 1.00 15.00 H new ATOM 372 N LYS A 254 0.550 1.933 10.118 1.00 15.00 N ATOM 373 CA LYS A 254 -0.907 1.833 9.982 1.00 15.00 C ATOM 374 C LYS A 254 -1.407 2.858 8.953 1.00 15.00 C ATOM 375 O LYS A 254 -2.466 3.461 9.114 1.00 15.00 O ATOM 376 CB LYS A 254 -1.572 2.066 11.350 1.00 15.00 C ATOM 377 CG LYS A 254 -3.044 1.677 11.412 1.00 15.00 C ATOM 378 CD LYS A 254 -3.704 2.174 12.691 1.00 15.00 C ATOM 379 CE LYS A 254 -3.055 1.589 13.939 1.00 15.00 C ATOM 380 NZ LYS A 254 -3.244 0.117 14.035 1.00 15.00 N1+ ATOM 0 H LYS A 254 1.051 1.075 9.889 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.172 0.836 9.631 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.028 1.500 12.106 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.477 3.120 11.611 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.566 2.090 10.549 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.137 0.593 11.352 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.645 3.262 12.729 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -4.762 1.912 12.677 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -1.989 1.817 13.932 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.477 2.066 14.823 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -2.876 -0.222 14.947 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.257 -0.108 13.966 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -2.732 -0.350 13.260 1.00 15.00 H new ATOM 394 N THR A 255 -0.656 3.019 7.872 1.00 15.00 N ATOM 395 CA THR A 255 -0.953 4.065 6.895 1.00 15.00 C ATOM 396 C THR A 255 -1.029 3.495 5.474 1.00 15.00 C ATOM 397 O THR A 255 -0.398 2.480 5.172 1.00 15.00 O ATOM 398 CB THR A 255 0.079 5.220 6.951 1.00 15.00 C ATOM 399 OG1 THR A 255 -0.260 6.234 5.997 1.00 15.00 O ATOM 400 CG2 THR A 255 1.488 4.722 6.677 1.00 15.00 C ATOM 0 H THR A 255 0.157 2.446 7.648 1.00 15.00 H new ATOM 0 HA THR A 255 -1.929 4.472 7.160 1.00 15.00 H new ATOM 0 HB THR A 255 0.051 5.637 7.958 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.398 6.959 6.043 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.185 5.559 6.724 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.763 3.978 7.425 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.528 4.272 5.685 1.00 15.00 H new ATOM 408 N THR A 256 -1.838 4.118 4.620 1.00 15.00 N ATOM 409 CA THR A 256 -2.022 3.642 3.259 1.00 15.00 C ATOM 410 C THR A 256 -1.515 4.669 2.242 1.00 15.00 C ATOM 411 O THR A 256 -1.753 5.871 2.381 1.00 15.00 O ATOM 412 CB THR A 256 -3.510 3.344 2.987 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.114 2.810 4.171 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.660 2.342 1.852 1.00 15.00 C ATOM 0 H THR A 256 -2.375 4.954 4.851 1.00 15.00 H new ATOM 0 HA THR A 256 -1.443 2.725 3.150 1.00 15.00 H new ATOM 0 HB THR A 256 -4.003 4.273 2.702 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.060 2.622 3.999 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.718 2.146 1.677 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.211 2.749 0.946 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.158 1.412 2.119 1.00 15.00 H new ATOM 422 N SER A 257 -0.797 4.188 1.236 1.00 15.00 N ATOM 423 CA SER A 257 -0.314 5.025 0.142 1.00 15.00 C ATOM 424 C SER A 257 -0.261 4.191 -1.133 1.00 15.00 C ATOM 425 O SER A 257 0.142 3.039 -1.086 1.00 15.00 O ATOM 426 CB SER A 257 1.070 5.591 0.477 1.00 15.00 C ATOM 427 OG SER A 257 1.024 6.392 1.652 1.00 15.00 O ATOM 0 H SER A 257 -0.532 3.206 1.154 1.00 15.00 H new ATOM 0 HA SER A 257 -0.993 5.865 -0.005 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.777 4.773 0.618 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.435 6.187 -0.359 1.00 15.00 H new ATOM 0 HG SER A 257 1.831 6.236 2.186 1.00 15.00 H new ATOM 433 N TRP A 258 -0.654 4.770 -2.261 1.00 15.00 N ATOM 434 CA TRP A 258 -0.817 4.008 -3.506 1.00 15.00 C ATOM 435 C TRP A 258 0.478 3.329 -3.973 1.00 15.00 C ATOM 436 O TRP A 258 0.565 2.103 -4.024 1.00 15.00 O ATOM 437 CB TRP A 258 -1.305 4.914 -4.638 1.00 15.00 C ATOM 438 CG TRP A 258 -2.685 5.473 -4.464 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.005 6.755 -4.137 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.930 4.780 -4.637 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.366 6.908 -4.100 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.957 5.712 -4.404 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.281 3.467 -4.967 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.306 5.375 -4.494 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.624 3.138 -5.053 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.617 4.091 -4.819 1.00 15.00 C ATOM 0 H TRP A 258 -0.867 5.764 -2.346 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.552 3.235 -3.279 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.606 5.744 -4.744 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.274 4.350 -5.571 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.289 7.538 -3.936 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -4.859 7.774 -3.881 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.520 2.724 -5.151 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.078 6.108 -4.312 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.908 2.127 -5.305 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.655 3.803 -4.898 1.00 15.00 H new ATOM 457 N LEU A 259 1.474 4.138 -4.303 1.00 15.00 N ATOM 458 CA LEU A 259 2.623 3.675 -5.073 1.00 15.00 C ATOM 459 C LEU A 259 3.944 3.788 -4.327 1.00 15.00 C ATOM 460 O LEU A 259 4.065 4.533 -3.353 1.00 15.00 O ATOM 461 CB LEU A 259 2.701 4.387 -6.421 1.00 15.00 C ATOM 462 CG LEU A 259 1.965 3.661 -7.547 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.108 4.417 -8.858 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.492 2.235 -7.684 1.00 15.00 C ATOM 0 H LEU A 259 1.511 5.125 -4.048 1.00 15.00 H new ATOM 0 HA LEU A 259 2.460 2.610 -5.241 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.286 5.390 -6.316 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.748 4.503 -6.700 1.00 15.00 H new ATOM 0 HG LEU A 259 0.905 3.617 -7.299 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.577 3.883 -9.646 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.687 5.416 -8.749 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.163 4.494 -9.120 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.961 1.727 -8.489 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.558 2.261 -7.912 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.334 1.697 -6.749 1.00 15.00 H new ATOM 476 N ASP A 260 4.925 3.029 -4.820 1.00 15.00 N ATOM 477 CA ASP A 260 6.221 2.856 -4.168 1.00 15.00 C ATOM 478 C ASP A 260 6.938 4.192 -3.991 1.00 15.00 C ATOM 479 O ASP A 260 7.286 4.874 -4.959 1.00 15.00 O ATOM 480 CB ASP A 260 7.065 1.899 -5.025 1.00 15.00 C ATOM 481 CG ASP A 260 8.520 1.761 -4.594 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.925 2.365 -3.583 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.265 1.040 -5.289 1.00 15.00 O ATOM 0 H ASP A 260 4.839 2.511 -5.695 1.00 15.00 H new ATOM 0 HA ASP A 260 6.073 2.440 -3.172 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.601 0.913 -5.005 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.039 2.243 -6.059 1.00 15.00 H new ATOM 488 N PRO A 261 7.149 4.562 -2.718 1.00 15.00 N ATOM 489 CA PRO A 261 7.736 5.836 -2.323 1.00 15.00 C ATOM 490 C PRO A 261 9.258 5.877 -2.425 1.00 15.00 C ATOM 491 O PRO A 261 9.856 6.941 -2.274 1.00 15.00 O ATOM 492 CB PRO A 261 7.300 5.970 -0.866 1.00 15.00 C ATOM 493 CG PRO A 261 7.233 4.572 -0.367 1.00 15.00 C ATOM 494 CD PRO A 261 6.812 3.732 -1.544 1.00 15.00 C ATOM 0 HA PRO A 261 7.408 6.643 -2.978 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.012 6.563 -0.292 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.333 6.467 -0.785 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.200 4.248 0.018 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.518 4.483 0.451 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.342 2.780 -1.564 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.747 3.503 -1.510 1.00 15.00 H new ATOM 502 N ARG A 262 9.897 4.734 -2.656 1.00 15.00 N ATOM 503 CA ARG A 262 11.355 4.683 -2.646 1.00 15.00 C ATOM 504 C ARG A 262 11.919 5.395 -3.879 1.00 15.00 C ATOM 505 O ARG A 262 13.117 5.650 -3.973 1.00 15.00 O ATOM 506 CB ARG A 262 11.859 3.225 -2.528 1.00 15.00 C ATOM 507 CG ARG A 262 12.002 2.456 -3.841 1.00 15.00 C ATOM 508 CD ARG A 262 13.362 2.686 -4.496 1.00 15.00 C ATOM 509 NE ARG A 262 14.474 2.347 -3.604 1.00 15.00 N ATOM 510 CZ ARG A 262 15.571 3.099 -3.464 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.661 4.266 -4.091 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.565 2.702 -2.676 1.00 15.00 N ATOM 0 H ARG A 262 9.437 3.844 -2.849 1.00 15.00 H new ATOM 0 HA ARG A 262 11.720 5.212 -1.766 1.00 15.00 H new ATOM 0 HB2 ARG A 262 12.828 3.236 -2.029 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.174 2.676 -1.882 1.00 15.00 H new ATOM 0 HG2 ARG A 262 11.866 1.391 -3.654 1.00 15.00 H new ATOM 0 HG3 ARG A 262 11.213 2.762 -4.528 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.432 2.086 -5.404 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.446 3.730 -4.797 1.00 15.00 H new ATOM 0 HE ARG A 262 14.408 1.488 -3.058 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.893 4.589 -4.680 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.498 4.839 -3.984 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.495 1.818 -2.172 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.398 3.282 -2.575 1.00 15.00 H new ATOM 526 N LEU A 263 11.041 5.710 -4.822 1.00 15.00 N ATOM 527 CA LEU A 263 11.417 6.466 -6.011 1.00 15.00 C ATOM 528 C LEU A 263 11.504 7.963 -5.715 1.00 15.00 C ATOM 529 O LEU A 263 11.976 8.740 -6.548 1.00 15.00 O ATOM 530 CB LEU A 263 10.410 6.238 -7.146 1.00 15.00 C ATOM 531 CG LEU A 263 10.553 4.928 -7.933 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.352 3.715 -7.038 1.00 15.00 C ATOM 533 CD2 LEU A 263 9.563 4.902 -9.088 1.00 15.00 C ATOM 0 H LEU A 263 10.055 5.451 -4.786 1.00 15.00 H new ATOM 0 HA LEU A 263 12.399 6.108 -6.320 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.406 6.275 -6.724 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.492 7.068 -7.847 1.00 15.00 H new ATOM 0 HG LEU A 263 11.567 4.883 -8.329 1.00 15.00 H new ATOM 0 HD11 LEU A 263 10.460 2.805 -7.628 1.00 15.00 H new ATOM 0 HD12 LEU A 263 11.097 3.722 -6.243 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.354 3.747 -6.601 1.00 15.00 H new ATOM 0 HD21 LEU A 263 9.672 3.969 -9.640 1.00 15.00 H new ATOM 0 HD22 LEU A 263 8.548 4.976 -8.699 1.00 15.00 H new ATOM 0 HD23 LEU A 263 9.759 5.742 -9.754 1.00 15.00 H new ATOM 545 N ASP A 264 11.023 8.365 -4.538 1.00 15.00 N ATOM 546 CA ASP A 264 10.922 9.788 -4.186 1.00 15.00 C ATOM 547 C ASP A 264 12.274 10.522 -4.176 1.00 15.00 C ATOM 548 O ASP A 264 12.372 11.608 -4.750 1.00 15.00 O ATOM 549 CB ASP A 264 10.209 9.982 -2.844 1.00 15.00 C ATOM 550 CG ASP A 264 9.897 11.439 -2.569 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.971 11.981 -3.212 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 10.572 12.054 -1.716 1.00 15.00 O ATOM 0 H ASP A 264 10.697 7.729 -3.811 1.00 15.00 H new ATOM 0 HA ASP A 264 10.326 10.238 -4.980 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.283 9.407 -2.839 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.833 9.588 -2.042 1.00 15.00 H new ATOM 557 N PRO A 265 13.313 9.982 -3.502 1.00 15.00 N ATOM 558 CA PRO A 265 14.651 10.593 -3.480 1.00 15.00 C ATOM 559 C PRO A 265 15.254 10.743 -4.878 1.00 15.00 C ATOM 560 O PRO A 265 15.316 11.886 -5.381 1.00 15.00 O ATOM 561 CB PRO A 265 15.488 9.620 -2.636 1.00 15.00 C ATOM 562 CG PRO A 265 14.709 8.350 -2.616 1.00 15.00 C ATOM 563 CD PRO A 265 13.270 8.758 -2.693 1.00 15.00 C ATOM 564 OXT PRO A 265 15.654 9.723 -5.475 1.00 15.00 O ATOM 0 HA PRO A 265 14.620 11.605 -3.076 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.475 9.469 -3.072 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.640 10.004 -1.627 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.980 7.711 -3.456 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.907 7.783 -1.707 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.657 7.987 -3.160 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.850 8.943 -1.704 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -6.386 11.094 -4.960 1.00 15.00 N ATOM 574 CA SER B 206 -7.224 9.897 -4.750 1.00 15.00 C ATOM 575 C SER B 206 -6.904 9.250 -3.404 1.00 15.00 C ATOM 576 O SER B 206 -5.742 8.996 -3.093 1.00 15.00 O ATOM 577 CB SER B 206 -6.984 8.898 -5.881 1.00 15.00 C ATOM 578 OG SER B 206 -7.193 9.505 -7.144 1.00 15.00 O ATOM 0 HA SER B 206 -8.272 10.196 -4.749 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.966 8.513 -5.822 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.654 8.046 -5.767 1.00 15.00 H new ATOM 0 HG SER B 206 -7.001 10.464 -7.082 1.00 15.00 H new ATOM 586 N PRO B 207 -7.928 8.982 -2.583 1.00 15.00 N ATOM 587 CA PRO B 207 -7.762 8.305 -1.303 1.00 15.00 C ATOM 588 C PRO B 207 -7.673 6.788 -1.477 1.00 15.00 C ATOM 589 O PRO B 207 -8.531 6.179 -2.122 1.00 15.00 O ATOM 590 CB PRO B 207 -9.031 8.680 -0.519 1.00 15.00 C ATOM 591 CG PRO B 207 -9.853 9.542 -1.430 1.00 15.00 C ATOM 592 CD PRO B 207 -9.330 9.326 -2.821 1.00 15.00 C ATOM 0 HA PRO B 207 -6.842 8.601 -0.799 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.584 7.788 -0.225 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.778 9.214 0.397 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.908 9.274 -1.368 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.773 10.591 -1.146 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.862 8.526 -3.335 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.430 10.221 -3.435 1.00 15.00 H new ATOM 600 N PRO B 208 -6.620 6.163 -0.928 1.00 15.00 N ATOM 601 CA PRO B 208 -6.438 4.710 -0.983 1.00 15.00 C ATOM 602 C PRO B 208 -7.408 3.984 -0.050 1.00 15.00 C ATOM 603 O PRO B 208 -7.826 4.542 0.968 1.00 15.00 O ATOM 604 CB PRO B 208 -4.984 4.511 -0.514 1.00 15.00 C ATOM 605 CG PRO B 208 -4.379 5.875 -0.505 1.00 15.00 C ATOM 606 CD PRO B 208 -5.511 6.807 -0.216 1.00 15.00 C ATOM 0 HA PRO B 208 -6.631 4.305 -1.977 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.950 4.060 0.478 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.442 3.846 -1.186 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.600 5.955 0.254 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.915 6.106 -1.464 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.707 6.893 0.853 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.317 7.813 -0.587 1.00 15.00 H new ATOM 614 N PRO B 209 -7.772 2.731 -0.388 1.00 15.00 N ATOM 615 CA PRO B 209 -8.669 1.903 0.427 1.00 15.00 C ATOM 616 C PRO B 209 -8.223 1.826 1.883 1.00 15.00 C ATOM 617 O PRO B 209 -7.024 1.795 2.172 1.00 15.00 O ATOM 618 CB PRO B 209 -8.583 0.514 -0.227 1.00 15.00 C ATOM 619 CG PRO B 209 -7.428 0.586 -1.165 1.00 15.00 C ATOM 620 CD PRO B 209 -7.343 2.016 -1.592 1.00 15.00 C ATOM 0 HA PRO B 209 -9.679 2.313 0.454 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.432 -0.264 0.522 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.504 0.272 -0.757 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.507 0.268 -0.677 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.578 -0.070 -2.022 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.331 2.292 -1.889 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.993 2.225 -2.442 1.00 15.00 H new ATOM 628 N PRO B 210 -9.189 1.779 2.813 1.00 15.00 N ATOM 629 CA PRO B 210 -8.912 1.716 4.250 1.00 15.00 C ATOM 630 C PRO B 210 -8.014 0.537 4.621 1.00 15.00 C ATOM 631 O PRO B 210 -8.305 -0.609 4.287 1.00 15.00 O ATOM 632 CB PRO B 210 -10.300 1.549 4.889 1.00 15.00 C ATOM 633 CG PRO B 210 -11.208 1.155 3.773 1.00 15.00 C ATOM 634 CD PRO B 210 -10.630 1.770 2.533 1.00 15.00 C ATOM 0 HA PRO B 210 -8.378 2.603 4.591 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.284 0.788 5.669 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.631 2.477 5.356 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.265 0.070 3.681 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.222 1.513 3.950 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.865 1.185 1.644 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.015 2.776 2.363 1.00 15.00 H new ATOM 642 N TYR B 211 -6.931 0.840 5.329 1.00 15.00 N ATOM 643 CA TYR B 211 -5.969 -0.167 5.778 1.00 15.00 C ATOM 644 C TYR B 211 -6.603 -1.164 6.758 1.00 15.00 C ATOM 645 O TYR B 211 -6.007 -2.189 7.095 1.00 15.00 O ATOM 646 CB TYR B 211 -4.760 0.547 6.413 1.00 15.00 C ATOM 647 CG TYR B 211 -3.819 -0.349 7.187 1.00 15.00 C ATOM 648 CD1 TYR B 211 -3.106 -1.364 6.563 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.655 -0.179 8.554 1.00 15.00 C ATOM 650 CE1 TYR B 211 -2.258 -2.184 7.283 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.807 -0.989 9.278 1.00 15.00 C ATOM 652 CZ TYR B 211 -2.112 -1.992 8.639 1.00 15.00 C ATOM 653 OH TYR B 211 -1.272 -2.807 9.360 1.00 15.00 O ATOM 0 H TYR B 211 -6.693 1.791 5.609 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.638 -0.748 4.917 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -4.196 1.045 5.624 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -5.128 1.325 7.082 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.216 -1.515 5.499 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.202 0.603 9.060 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.712 -2.972 6.785 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.688 -0.838 10.341 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.283 -2.537 10.302 1.00 15.00 H new ATOM 663 N SER B 212 -7.818 -0.869 7.198 1.00 15.00 N ATOM 664 CA SER B 212 -8.510 -1.711 8.160 1.00 15.00 C ATOM 665 C SER B 212 -8.711 -3.127 7.612 1.00 15.00 C ATOM 666 O SER B 212 -8.479 -4.111 8.318 1.00 15.00 O ATOM 667 CB SER B 212 -9.857 -1.083 8.510 1.00 15.00 C ATOM 668 OG SER B 212 -9.702 0.292 8.823 1.00 15.00 O ATOM 0 H SER B 212 -8.346 -0.048 6.901 1.00 15.00 H new ATOM 0 HA SER B 212 -7.899 -1.786 9.059 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.545 -1.195 7.672 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.299 -1.607 9.358 1.00 15.00 H new ATOM 0 HG SER B 212 -10.576 0.678 9.043 1.00 15.00 H new ATOM 674 N ARG B 213 -9.172 -3.231 6.370 1.00 15.00 N ATOM 675 CA ARG B 213 -9.290 -4.525 5.717 1.00 15.00 C ATOM 676 C ARG B 213 -9.115 -4.381 4.209 1.00 15.00 C ATOM 677 O ARG B 213 -9.209 -3.281 3.671 1.00 15.00 O ATOM 678 CB ARG B 213 -10.620 -5.203 6.022 1.00 15.00 C ATOM 679 CG ARG B 213 -10.535 -6.708 5.845 1.00 15.00 C ATOM 680 CD ARG B 213 -10.109 -7.398 7.130 1.00 15.00 C ATOM 681 NE ARG B 213 -11.128 -7.288 8.173 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.869 -6.984 9.443 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.621 -6.739 9.832 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.862 -6.921 10.321 1.00 15.00 N ATOM 0 H ARG B 213 -9.468 -2.439 5.800 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.496 -5.157 6.115 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.920 -4.973 7.044 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.392 -4.802 5.365 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.504 -7.093 5.528 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.824 -6.942 5.052 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.909 -8.450 6.928 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.177 -6.959 7.486 1.00 15.00 H new ATOM 0 HE ARG B 213 -12.099 -7.455 7.911 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.858 -6.784 9.156 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.427 -6.506 10.806 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.820 -7.105 10.022 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.668 -6.688 11.295 1.00 15.00 H new ATOM 698 N TYR B 214 -8.900 -5.503 3.532 1.00 15.00 N ATOM 699 CA TYR B 214 -8.565 -5.494 2.114 1.00 15.00 C ATOM 700 C TYR B 214 -9.839 -5.562 1.281 1.00 15.00 C ATOM 701 O TYR B 214 -10.649 -6.474 1.444 1.00 15.00 O ATOM 702 CB TYR B 214 -7.648 -6.680 1.757 1.00 15.00 C ATOM 703 CG TYR B 214 -6.481 -6.880 2.708 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.207 -5.959 3.706 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.672 -8.005 2.621 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.178 -6.141 4.588 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.625 -8.196 3.502 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.384 -7.261 4.487 1.00 15.00 C ATOM 709 OH TYR B 214 -3.351 -7.448 5.376 1.00 15.00 O ATOM 0 H TYR B 214 -8.952 -6.434 3.945 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.033 -4.568 1.894 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.245 -7.592 1.737 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.259 -6.532 0.750 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.822 -5.075 3.790 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.864 -8.741 1.854 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.989 -5.410 5.360 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.999 -9.072 3.420 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.889 -8.287 5.169 1.00 15.00 H new ATOM 719 N PRO B 215 -10.010 -4.599 0.366 1.00 15.00 N ATOM 720 CA PRO B 215 -11.218 -4.475 -0.462 1.00 15.00 C ATOM 721 C PRO B 215 -11.255 -5.476 -1.617 1.00 15.00 C ATOM 722 O PRO B 215 -12.025 -5.317 -2.565 1.00 15.00 O ATOM 723 CB PRO B 215 -11.103 -3.050 -1.003 1.00 15.00 C ATOM 724 CG PRO B 215 -9.637 -2.803 -1.090 1.00 15.00 C ATOM 725 CD PRO B 215 -9.027 -3.539 0.068 1.00 15.00 C ATOM 0 HA PRO B 215 -12.126 -4.676 0.106 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.580 -2.956 -1.978 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.588 -2.333 -0.340 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -9.236 -3.163 -2.037 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.416 -1.737 -1.035 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.054 -3.957 -0.191 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.874 -2.882 0.924 1.00 15.00 H new ATOM 733 N MET B 216 -10.440 -6.518 -1.527 1.00 15.00 N ATOM 734 CA MET B 216 -10.343 -7.495 -2.596 1.00 15.00 C ATOM 735 C MET B 216 -11.128 -8.758 -2.262 1.00 15.00 C ATOM 736 O MET B 216 -10.578 -9.722 -1.720 1.00 15.00 O ATOM 737 CB MET B 216 -8.881 -7.837 -2.894 1.00 15.00 C ATOM 738 CG MET B 216 -8.683 -8.788 -4.070 1.00 15.00 C ATOM 739 SD MET B 216 -9.189 -8.086 -5.658 1.00 15.00 S ATOM 740 CE MET B 216 -10.952 -8.416 -5.661 1.00 15.00 C ATOM 0 H MET B 216 -9.838 -6.706 -0.725 1.00 15.00 H new ATOM 0 HA MET B 216 -10.781 -7.050 -3.489 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.338 -6.913 -3.094 1.00 15.00 H new ATOM 0 HB3 MET B 216 -8.436 -8.282 -2.004 1.00 15.00 H new ATOM 0 HG2 MET B 216 -7.632 -9.071 -4.125 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.250 -9.701 -3.888 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.266 -8.705 -6.664 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.172 -9.225 -4.964 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.491 -7.519 -5.357 1.00 15.00 H new ATOM 750 N ASP B 217 -12.426 -8.713 -2.542 1.00 15.00 N ATOM 751 CA ASP B 217 -13.302 -9.877 -2.431 1.00 15.00 C ATOM 752 C ASP B 217 -14.725 -9.492 -2.795 1.00 15.00 C ATOM 753 O ASP B 217 -15.175 -9.854 -3.903 1.00 15.00 O ATOM 754 CB ASP B 217 -13.288 -10.485 -1.026 1.00 15.00 C ATOM 755 CG ASP B 217 -14.013 -11.815 -0.986 1.00 15.00 C ATOM 756 OD1 ASP B 217 -13.602 -12.739 -1.725 1.00 15.00 O1- ATOM 757 OD2 ASP B 217 -14.992 -11.946 -0.230 1.00 15.00 O ATOM 758 OXT ASP B 217 -15.380 -8.807 -1.984 1.00 15.00 O ATOM 0 H ASP B 217 -12.903 -7.867 -2.853 1.00 15.00 H new ATOM 0 HA ASP B 217 -12.924 -10.629 -3.124 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.257 -10.622 -0.699 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -13.756 -9.794 -0.325 1.00 15.00 H new TER 763 ASP B 217