USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 292 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 301 HIS : no HD1:sc= -0.36! C(o=0.42!,f=-13!) USER MOD Set 1.2: B 211 TYR OH : rot 24:sc= 0.778 USER MOD Set 2.1: A 291 THR OG1 : rot -46:sc= -0.19 USER MOD Set 2.2: A 293 SER OG : rot -57:sc= 0.854 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.06) USER MOD Single : A 303 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.056) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -155:sc= 0.128 USER MOD Single : A 307 GLN : amide:sc= -4.88! K(o=-4.9!,f=-0.58) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0.125 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 283 8.985 5.245 -6.279 1.00 15.00 N ATOM 44 CA PRO A 283 8.364 5.459 -7.591 1.00 15.00 C ATOM 45 C PRO A 283 6.932 5.978 -7.459 1.00 15.00 C ATOM 46 O PRO A 283 6.201 5.541 -6.570 1.00 15.00 O ATOM 47 CB PRO A 283 8.365 4.061 -8.230 1.00 15.00 C ATOM 48 CG PRO A 283 9.333 3.260 -7.429 1.00 15.00 C ATOM 49 CD PRO A 283 9.283 3.824 -6.042 1.00 15.00 C ATOM 0 HA PRO A 283 8.898 6.205 -8.180 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.370 3.616 -8.203 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.665 4.108 -9.277 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.063 2.204 -7.431 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.338 3.333 -7.844 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.513 3.344 -5.438 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.229 3.691 -5.517 1.00 15.00 H new ATOM 57 N PRO A 284 6.496 6.898 -8.348 1.00 15.00 N ATOM 58 CA PRO A 284 5.123 7.433 -8.328 1.00 15.00 C ATOM 59 C PRO A 284 4.056 6.351 -8.515 1.00 15.00 C ATOM 60 O PRO A 284 2.864 6.603 -8.327 1.00 15.00 O ATOM 61 CB PRO A 284 5.086 8.411 -9.507 1.00 15.00 C ATOM 62 CG PRO A 284 6.511 8.732 -9.800 1.00 15.00 C ATOM 63 CD PRO A 284 7.307 7.515 -9.417 1.00 15.00 C ATOM 0 HA PRO A 284 4.899 7.892 -7.365 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.598 7.964 -10.373 1.00 15.00 H new ATOM 0 HB3 PRO A 284 4.525 9.310 -9.254 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.647 8.969 -10.855 1.00 15.00 H new ATOM 0 HG3 PRO A 284 6.837 9.604 -9.233 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.439 6.839 -10.262 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.303 7.781 -9.063 1.00 15.00 H new ATOM 71 N GLY A 285 4.486 5.157 -8.907 1.00 15.00 N ATOM 72 CA GLY A 285 3.569 4.043 -9.031 1.00 15.00 C ATOM 73 C GLY A 285 3.196 3.472 -7.676 1.00 15.00 C ATOM 74 O GLY A 285 2.142 2.852 -7.523 1.00 15.00 O ATOM 0 H GLY A 285 5.455 4.942 -9.141 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.667 4.369 -9.549 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.024 3.263 -9.642 1.00 15.00 H new ATOM 78 N TRP A 286 4.059 3.702 -6.694 1.00 15.00 N ATOM 79 CA TRP A 286 3.837 3.214 -5.342 1.00 15.00 C ATOM 80 C TRP A 286 3.075 4.241 -4.522 1.00 15.00 C ATOM 81 O TRP A 286 3.634 5.249 -4.091 1.00 15.00 O ATOM 82 CB TRP A 286 5.174 2.857 -4.668 1.00 15.00 C ATOM 83 CG TRP A 286 5.652 1.499 -5.067 1.00 15.00 C ATOM 84 CD1 TRP A 286 6.043 1.105 -6.313 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.746 0.342 -4.229 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.346 -0.232 -6.313 1.00 15.00 N ATOM 87 CE2 TRP A 286 6.172 -0.726 -5.048 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.505 0.092 -2.869 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.345 -2.018 -4.561 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.677 -1.192 -2.396 1.00 15.00 C ATOM 91 CH2 TRP A 286 6.084 -2.234 -3.238 1.00 15.00 C ATOM 0 H TRP A 286 4.925 4.228 -6.812 1.00 15.00 H new ATOM 0 HA TRP A 286 3.233 2.308 -5.398 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.926 3.600 -4.936 1.00 15.00 H new ATOM 0 HB3 TRP A 286 5.057 2.897 -3.585 1.00 15.00 H new ATOM 0 HD1 TRP A 286 6.105 1.753 -7.175 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.651 -0.771 -7.123 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.192 0.887 -2.208 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.673 -2.820 -5.205 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.494 -1.399 -1.352 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.194 -3.229 -2.833 1.00 15.00 H new ATOM 102 N GLU A 287 1.784 4.001 -4.339 1.00 15.00 N ATOM 103 CA GLU A 287 0.959 4.896 -3.558 1.00 15.00 C ATOM 104 C GLU A 287 0.930 4.393 -2.116 1.00 15.00 C ATOM 105 O GLU A 287 0.348 3.347 -1.821 1.00 15.00 O ATOM 106 CB GLU A 287 -0.440 4.951 -4.168 1.00 15.00 C ATOM 107 CG GLU A 287 -1.367 5.985 -3.555 1.00 15.00 C ATOM 108 CD GLU A 287 -1.009 7.393 -3.987 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.370 7.775 -5.127 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.356 8.113 -3.208 1.00 15.00 O ATOM 0 H GLU A 287 1.291 3.194 -4.722 1.00 15.00 H new ATOM 0 HA GLU A 287 1.364 5.908 -3.563 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.347 5.155 -5.235 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.901 3.968 -4.071 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.395 5.767 -3.844 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.320 5.916 -2.468 1.00 15.00 H new ATOM 117 N VAL A 288 1.607 5.115 -1.232 1.00 15.00 N ATOM 118 CA VAL A 288 1.838 4.638 0.124 1.00 15.00 C ATOM 119 C VAL A 288 0.796 5.175 1.104 1.00 15.00 C ATOM 120 O VAL A 288 0.593 6.384 1.234 1.00 15.00 O ATOM 121 CB VAL A 288 3.268 4.996 0.604 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.509 6.500 0.582 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.531 4.427 1.992 1.00 15.00 C ATOM 0 H VAL A 288 2.005 6.033 -1.430 1.00 15.00 H new ATOM 0 HA VAL A 288 1.740 3.553 0.101 1.00 15.00 H new ATOM 0 HB VAL A 288 3.971 4.541 -0.094 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.522 6.711 0.925 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.385 6.874 -0.434 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.793 6.993 1.240 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.540 4.691 2.308 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.810 4.841 2.697 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.431 3.342 1.965 1.00 15.00 H new ATOM 133 N ARG A 289 0.124 4.256 1.784 1.00 15.00 N ATOM 134 CA ARG A 289 -0.902 4.610 2.753 1.00 15.00 C ATOM 135 C ARG A 289 -0.688 3.836 4.050 1.00 15.00 C ATOM 136 O ARG A 289 -0.172 2.723 4.035 1.00 15.00 O ATOM 137 CB ARG A 289 -2.292 4.327 2.175 1.00 15.00 C ATOM 138 CG ARG A 289 -2.661 5.215 1.000 1.00 15.00 C ATOM 139 CD ARG A 289 -2.422 6.689 1.296 1.00 15.00 C ATOM 140 NE ARG A 289 -3.114 7.145 2.504 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.507 7.788 3.503 1.00 15.00 C ATOM 142 NH1 ARG A 289 -1.204 8.026 3.434 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -3.198 8.193 4.564 1.00 15.00 N ATOM 0 H ARG A 289 0.273 3.252 1.680 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.831 5.675 2.973 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.338 3.285 1.859 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.035 4.455 2.962 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.077 4.922 0.128 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.710 5.062 0.747 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -1.352 6.863 1.408 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -2.755 7.284 0.446 1.00 15.00 H new ATOM 0 HE ARG A 289 -4.114 6.961 2.586 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -0.672 7.718 2.620 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -0.734 8.517 4.195 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -4.200 8.013 4.619 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -2.726 8.684 5.323 1.00 15.00 H new ATOM 157 N SER A 290 -1.089 4.427 5.170 1.00 15.00 N ATOM 158 CA SER A 290 -0.864 3.815 6.475 1.00 15.00 C ATOM 159 C SER A 290 -2.171 3.727 7.268 1.00 15.00 C ATOM 160 O SER A 290 -3.000 4.639 7.226 1.00 15.00 O ATOM 161 CB SER A 290 0.175 4.634 7.250 1.00 15.00 C ATOM 162 OG SER A 290 0.584 3.972 8.434 1.00 15.00 O ATOM 0 H SER A 290 -1.570 5.326 5.201 1.00 15.00 H new ATOM 0 HA SER A 290 -0.491 2.801 6.329 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.043 4.815 6.616 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.244 5.608 7.503 1.00 15.00 H new ATOM 0 HG SER A 290 1.247 4.520 8.903 1.00 15.00 H new ATOM 168 N THR A 291 -2.345 2.627 7.989 1.00 15.00 N ATOM 169 CA THR A 291 -3.500 2.450 8.859 1.00 15.00 C ATOM 170 C THR A 291 -3.119 2.767 10.301 1.00 15.00 C ATOM 171 O THR A 291 -1.986 2.504 10.720 1.00 15.00 O ATOM 172 CB THR A 291 -4.052 1.009 8.795 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.988 0.071 8.997 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.737 0.722 7.467 1.00 15.00 C ATOM 0 H THR A 291 -1.697 1.840 7.988 1.00 15.00 H new ATOM 0 HA THR A 291 -4.275 3.133 8.512 1.00 15.00 H new ATOM 0 HB THR A 291 -4.796 0.906 9.585 1.00 15.00 H new ATOM 0 HG1 THR A 291 -2.215 0.331 8.453 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.111 -0.302 7.464 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.569 1.412 7.330 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.022 0.850 6.654 1.00 15.00 H new ATOM 182 N VAL A 292 -4.072 3.300 11.062 1.00 15.00 N ATOM 183 CA VAL A 292 -3.829 3.708 12.451 1.00 15.00 C ATOM 184 C VAL A 292 -3.450 2.507 13.326 1.00 15.00 C ATOM 185 O VAL A 292 -2.933 2.662 14.435 1.00 15.00 O ATOM 186 CB VAL A 292 -5.063 4.432 13.042 1.00 15.00 C ATOM 187 CG1 VAL A 292 -4.785 4.956 14.445 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.495 5.571 12.129 1.00 15.00 C ATOM 0 H VAL A 292 -5.027 3.462 10.741 1.00 15.00 H new ATOM 0 HA VAL A 292 -2.990 4.404 12.444 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.873 3.706 13.112 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.673 5.458 14.828 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.528 4.124 15.100 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -3.955 5.662 14.412 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.364 6.071 12.557 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.678 6.286 12.028 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.753 5.173 11.148 1.00 15.00 H new ATOM 198 N SER A 293 -3.695 1.307 12.813 1.00 15.00 N ATOM 199 CA SER A 293 -3.298 0.074 13.488 1.00 15.00 C ATOM 200 C SER A 293 -1.773 -0.014 13.619 1.00 15.00 C ATOM 201 O SER A 293 -1.246 -0.835 14.371 1.00 15.00 O ATOM 202 CB SER A 293 -3.839 -1.146 12.731 1.00 15.00 C ATOM 203 OG SER A 293 -3.332 -1.206 11.404 1.00 15.00 O ATOM 0 H SER A 293 -4.171 1.160 11.923 1.00 15.00 H new ATOM 0 HA SER A 293 -3.725 0.084 14.491 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.568 -2.056 13.266 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.928 -1.104 12.704 1.00 15.00 H new ATOM 0 HG SER A 293 -3.560 -0.380 10.929 1.00 15.00 H new ATOM 209 N GLY A 294 -1.076 0.831 12.867 1.00 15.00 N ATOM 210 CA GLY A 294 0.369 0.782 12.828 1.00 15.00 C ATOM 211 C GLY A 294 0.856 -0.135 11.732 1.00 15.00 C ATOM 212 O GLY A 294 1.913 -0.759 11.847 1.00 15.00 O ATOM 0 H GLY A 294 -1.493 1.554 12.280 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.765 1.785 12.669 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.750 0.438 13.790 1.00 15.00 H new ATOM 216 N ARG A 295 0.077 -0.206 10.662 1.00 15.00 N ATOM 217 CA ARG A 295 0.422 -1.027 9.513 1.00 15.00 C ATOM 218 C ARG A 295 0.489 -0.180 8.258 1.00 15.00 C ATOM 219 O ARG A 295 -0.435 0.583 7.961 1.00 15.00 O ATOM 220 CB ARG A 295 -0.604 -2.147 9.309 1.00 15.00 C ATOM 221 CG ARG A 295 -0.524 -3.253 10.339 1.00 15.00 C ATOM 222 CD ARG A 295 -1.573 -4.330 10.090 1.00 15.00 C ATOM 223 NE ARG A 295 -2.924 -3.844 10.368 1.00 15.00 N ATOM 224 CZ ARG A 295 -3.954 -4.641 10.643 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.774 -5.955 10.738 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.159 -4.119 10.862 1.00 15.00 N ATOM 0 H ARG A 295 -0.804 0.299 10.567 1.00 15.00 H new ATOM 0 HA ARG A 295 1.398 -1.472 9.706 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.605 -1.716 9.331 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.464 -2.578 8.318 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.470 -3.700 10.317 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.662 -2.833 11.335 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.513 -4.664 9.054 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.362 -5.196 10.717 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.086 -2.837 10.350 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.845 -6.354 10.600 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.565 -6.564 10.949 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.293 -3.109 10.819 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -5.949 -4.729 11.073 1.00 15.00 H new ATOM 240 N ILE A 296 1.557 -0.348 7.504 1.00 15.00 N ATOM 241 CA ILE A 296 1.689 0.323 6.227 1.00 15.00 C ATOM 242 C ILE A 296 1.085 -0.577 5.164 1.00 15.00 C ATOM 243 O ILE A 296 1.140 -1.801 5.283 1.00 15.00 O ATOM 244 CB ILE A 296 3.173 0.631 5.890 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.291 1.377 4.553 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.997 -0.650 5.856 1.00 15.00 C ATOM 247 CD1 ILE A 296 4.707 1.787 4.215 1.00 15.00 C ATOM 0 H ILE A 296 2.346 -0.944 7.754 1.00 15.00 H new ATOM 0 HA ILE A 296 1.168 1.280 6.267 1.00 15.00 H new ATOM 0 HB ILE A 296 3.566 1.275 6.677 1.00 15.00 H new ATOM 0 HG12 ILE A 296 2.905 0.742 3.756 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.661 2.266 4.585 1.00 15.00 H new ATOM 0 HG21 ILE A 296 5.033 -0.410 5.618 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.952 -1.138 6.830 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.596 -1.320 5.096 1.00 15.00 H new ATOM 0 HD11 ILE A 296 4.716 2.309 3.258 1.00 15.00 H new ATOM 0 HD12 ILE A 296 5.090 2.448 4.993 1.00 15.00 H new ATOM 0 HD13 ILE A 296 5.337 0.900 4.150 1.00 15.00 H new ATOM 259 N TYR A 297 0.489 0.007 4.146 1.00 15.00 N ATOM 260 CA TYR A 297 -0.229 -0.783 3.175 1.00 15.00 C ATOM 261 C TYR A 297 -0.179 -0.106 1.835 1.00 15.00 C ATOM 262 O TYR A 297 -0.380 1.105 1.707 1.00 15.00 O ATOM 263 CB TYR A 297 -1.678 -1.069 3.607 1.00 15.00 C ATOM 264 CG TYR A 297 -2.652 0.088 3.492 1.00 15.00 C ATOM 265 CD1 TYR A 297 -2.849 0.963 4.550 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.407 0.274 2.335 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.770 1.991 4.461 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.321 1.304 2.239 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.501 2.157 3.305 1.00 15.00 C ATOM 270 OH TYR A 297 -5.417 3.183 3.218 1.00 15.00 O ATOM 0 H TYR A 297 0.488 1.012 3.972 1.00 15.00 H new ATOM 0 HA TYR A 297 0.262 -1.753 3.101 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.057 -1.897 3.008 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.666 -1.405 4.644 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.275 0.840 5.456 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.275 -0.399 1.500 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.916 2.661 5.295 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.892 1.440 1.332 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.848 3.163 2.338 1.00 15.00 H new ATOM 280 N PHE A 298 0.101 -0.900 0.846 1.00 15.00 N ATOM 281 CA PHE A 298 0.306 -0.414 -0.472 1.00 15.00 C ATOM 282 C PHE A 298 -0.846 -0.651 -1.379 1.00 15.00 C ATOM 283 O PHE A 298 -1.552 -1.648 -1.287 1.00 15.00 O ATOM 284 CB PHE A 298 1.533 -1.044 -1.054 1.00 15.00 C ATOM 285 CG PHE A 298 2.705 -0.221 -0.758 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.790 1.034 -1.316 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.709 -0.679 0.067 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.865 1.830 -1.067 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.799 0.112 0.312 1.00 15.00 C ATOM 290 CZ PHE A 298 4.870 1.365 -0.260 1.00 15.00 C ATOM 0 H PHE A 298 0.193 -1.912 0.939 1.00 15.00 H new ATOM 0 HA PHE A 298 0.424 0.666 -0.389 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.668 -2.045 -0.644 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.419 -1.155 -2.132 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.997 1.390 -1.957 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.636 -1.658 0.518 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.925 2.817 -1.501 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.597 -0.242 0.948 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.731 1.989 -0.069 1.00 15.00 H new ATOM 300 N VAL A 299 -0.965 0.275 -2.288 1.00 15.00 N ATOM 301 CA VAL A 299 -1.882 0.179 -3.382 1.00 15.00 C ATOM 302 C VAL A 299 -1.157 0.707 -4.620 1.00 15.00 C ATOM 303 O VAL A 299 -0.791 1.889 -4.707 1.00 15.00 O ATOM 304 CB VAL A 299 -3.232 0.914 -3.108 1.00 15.00 C ATOM 305 CG1 VAL A 299 -3.982 0.269 -1.950 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.045 2.392 -2.815 1.00 15.00 C ATOM 0 H VAL A 299 -0.415 1.134 -2.287 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.177 -0.859 -3.535 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.815 0.821 -4.024 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.918 0.801 -1.781 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.195 -0.773 -2.190 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.370 0.316 -1.049 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.016 2.852 -2.632 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.415 2.511 -1.933 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.569 2.875 -3.669 1.00 15.00 H new ATOM 316 N ASP A 300 -0.837 -0.206 -5.522 1.00 15.00 N ATOM 317 CA ASP A 300 -0.101 0.151 -6.723 1.00 15.00 C ATOM 318 C ASP A 300 -1.090 0.513 -7.815 1.00 15.00 C ATOM 319 O ASP A 300 -2.103 -0.172 -7.995 1.00 15.00 O ATOM 320 CB ASP A 300 0.824 -0.994 -7.174 1.00 15.00 C ATOM 321 CG ASP A 300 0.266 -1.798 -8.338 1.00 15.00 C ATOM 322 OD1 ASP A 300 0.514 -1.411 -9.501 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 -0.429 -2.805 -8.095 1.00 15.00 O ATOM 0 H ASP A 300 -1.074 -1.195 -5.446 1.00 15.00 H new ATOM 0 HA ASP A 300 0.536 1.009 -6.510 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.791 -0.579 -7.459 1.00 15.00 H new ATOM 0 HB3 ASP A 300 1.000 -1.663 -6.331 1.00 15.00 H new ATOM 328 N HIS A 301 -0.779 1.584 -8.537 1.00 15.00 N ATOM 329 CA HIS A 301 -1.702 2.163 -9.509 1.00 15.00 C ATOM 330 C HIS A 301 -1.718 1.408 -10.836 1.00 15.00 C ATOM 331 O HIS A 301 -2.620 1.609 -11.645 1.00 15.00 O ATOM 332 CB HIS A 301 -1.360 3.631 -9.784 1.00 15.00 C ATOM 333 CG HIS A 301 -1.782 4.592 -8.713 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.077 4.688 -8.258 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.081 5.545 -8.049 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.161 5.667 -7.375 1.00 15.00 C ATOM 337 NE2 HIS A 301 -1.963 6.202 -7.224 1.00 15.00 N ATOM 0 H HIS A 301 0.113 2.073 -8.467 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.692 2.084 -9.060 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.283 3.717 -9.924 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.828 3.928 -10.722 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.025 5.750 -8.150 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.059 5.978 -6.862 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -1.731 6.974 -6.599 1.00 15.00 H new ATOM 346 N ASN A 302 -0.732 0.557 -11.075 1.00 15.00 N ATOM 347 CA ASN A 302 -0.616 -0.105 -12.370 1.00 15.00 C ATOM 348 C ASN A 302 -1.388 -1.417 -12.387 1.00 15.00 C ATOM 349 O ASN A 302 -2.239 -1.636 -13.247 1.00 15.00 O ATOM 350 CB ASN A 302 0.849 -0.343 -12.742 1.00 15.00 C ATOM 351 CG ASN A 302 1.577 0.942 -13.103 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.778 1.073 -12.876 1.00 15.00 O ATOM 353 ND2 ASN A 302 0.859 1.898 -13.678 1.00 15.00 N ATOM 0 H ASN A 302 -0.008 0.309 -10.401 1.00 15.00 H new ATOM 0 HA ASN A 302 -1.053 0.559 -13.116 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.359 -0.823 -11.906 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.899 -1.033 -13.584 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.302 2.777 -13.947 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -0.136 1.754 -13.851 1.00 15.00 H new ATOM 360 N ASN A 303 -1.086 -2.290 -11.440 1.00 15.00 N ATOM 361 CA ASN A 303 -1.788 -3.562 -11.331 1.00 15.00 C ATOM 362 C ASN A 303 -2.996 -3.434 -10.415 1.00 15.00 C ATOM 363 O ASN A 303 -3.853 -4.319 -10.385 1.00 15.00 O ATOM 364 CB ASN A 303 -0.856 -4.672 -10.833 1.00 15.00 C ATOM 365 CG ASN A 303 0.203 -5.053 -11.854 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.297 -5.486 -11.495 1.00 15.00 O ATOM 367 ND2 ASN A 303 -0.116 -4.906 -13.134 1.00 15.00 N ATOM 0 H ASN A 303 -0.362 -2.144 -10.737 1.00 15.00 H new ATOM 0 HA ASN A 303 -2.134 -3.834 -12.328 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.368 -4.346 -9.915 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.448 -5.553 -10.584 1.00 15.00 H new ATOM 0 HD21 ASN A 303 0.557 -5.156 -13.859 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.034 -4.544 -13.393 1.00 15.00 H new ATOM 374 N ARG A 304 -3.040 -2.339 -9.652 1.00 15.00 N ATOM 375 CA ARG A 304 -4.136 -2.055 -8.725 1.00 15.00 C ATOM 376 C ARG A 304 -4.131 -3.077 -7.600 1.00 15.00 C ATOM 377 O ARG A 304 -5.148 -3.718 -7.307 1.00 15.00 O ATOM 378 CB ARG A 304 -5.485 -2.044 -9.455 1.00 15.00 C ATOM 379 CG ARG A 304 -5.516 -1.098 -10.644 1.00 15.00 C ATOM 380 CD ARG A 304 -6.842 -1.164 -11.377 1.00 15.00 C ATOM 381 NE ARG A 304 -6.872 -0.275 -12.532 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.779 -0.349 -13.501 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.741 -1.262 -13.449 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.728 0.491 -14.526 1.00 15.00 N ATOM 0 H ARG A 304 -2.314 -1.623 -9.660 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.989 -1.063 -8.299 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.714 -3.054 -9.796 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.268 -1.760 -8.752 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.339 -0.078 -10.303 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.707 -1.349 -11.330 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.026 -2.188 -11.703 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.648 -0.897 -10.693 1.00 15.00 H new ATOM 0 HE ARG A 304 -6.154 0.447 -12.601 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.787 -1.911 -12.663 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.435 -1.315 -14.195 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.992 1.196 -14.572 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -8.425 0.432 -15.268 1.00 15.00 H new ATOM 398 N THR A 305 -2.981 -3.203 -6.959 1.00 15.00 N ATOM 399 CA THR A 305 -2.765 -4.267 -5.976 1.00 15.00 C ATOM 400 C THR A 305 -2.562 -3.710 -4.568 1.00 15.00 C ATOM 401 O THR A 305 -1.956 -2.654 -4.392 1.00 15.00 O ATOM 402 CB THR A 305 -1.538 -5.118 -6.362 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.655 -5.540 -7.726 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.397 -6.338 -5.460 1.00 15.00 C ATOM 0 H THR A 305 -2.180 -2.586 -7.097 1.00 15.00 H new ATOM 0 HA THR A 305 -3.662 -4.886 -5.976 1.00 15.00 H new ATOM 0 HB THR A 305 -0.648 -4.501 -6.237 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.874 -6.079 -7.970 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.522 -6.914 -5.761 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.280 -6.014 -4.426 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.288 -6.960 -5.547 1.00 15.00 H new ATOM 412 N THR A 306 -3.072 -4.434 -3.573 1.00 15.00 N ATOM 413 CA THR A 306 -2.914 -4.046 -2.179 1.00 15.00 C ATOM 414 C THR A 306 -1.994 -5.021 -1.436 1.00 15.00 C ATOM 415 O THR A 306 -2.203 -6.234 -1.461 1.00 15.00 O ATOM 416 CB THR A 306 -4.270 -3.988 -1.450 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.198 -3.181 -2.191 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.099 -3.413 -0.051 1.00 15.00 C ATOM 0 H THR A 306 -3.600 -5.296 -3.711 1.00 15.00 H new ATOM 0 HA THR A 306 -2.467 -3.052 -2.179 1.00 15.00 H new ATOM 0 HB THR A 306 -4.659 -5.003 -1.371 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.873 -2.816 -1.582 1.00 15.00 H new ATOM 0 HG21 THR A 306 -5.067 -3.379 0.449 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.417 -4.043 0.520 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.691 -2.405 -0.119 1.00 15.00 H new ATOM 426 N GLN A 307 -0.981 -4.480 -0.771 1.00 15.00 N ATOM 427 CA GLN A 307 -0.025 -5.284 -0.013 1.00 15.00 C ATOM 428 C GLN A 307 0.101 -4.741 1.409 1.00 15.00 C ATOM 429 O GLN A 307 -0.065 -3.555 1.629 1.00 15.00 O ATOM 430 CB GLN A 307 1.360 -5.241 -0.676 1.00 15.00 C ATOM 431 CG GLN A 307 1.413 -5.723 -2.122 1.00 15.00 C ATOM 432 CD GLN A 307 1.302 -7.236 -2.282 1.00 15.00 C ATOM 433 OE1 GLN A 307 1.918 -7.813 -3.176 1.00 15.00 O ATOM 434 NE2 GLN A 307 0.500 -7.883 -1.451 1.00 15.00 N ATOM 0 H GLN A 307 -0.798 -3.477 -0.740 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.388 -6.312 0.008 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.729 -4.216 -0.640 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.045 -5.848 -0.084 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.605 -5.250 -2.681 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.349 -5.389 -2.570 1.00 15.00 H new ATOM 0 HE21 GLN A 307 0.004 -7.373 -0.720 1.00 15.00 H new ATOM 0 HE22 GLN A 307 0.378 -8.892 -1.541 1.00 15.00 H new ATOM 443 N PHE A 308 0.394 -5.597 2.374 1.00 15.00 N ATOM 444 CA PHE A 308 0.757 -5.125 3.711 1.00 15.00 C ATOM 445 C PHE A 308 2.277 -5.083 3.851 1.00 15.00 C ATOM 446 O PHE A 308 2.817 -4.579 4.836 1.00 15.00 O ATOM 447 CB PHE A 308 0.148 -5.999 4.812 1.00 15.00 C ATOM 448 CG PHE A 308 -1.110 -5.433 5.422 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.256 -4.067 5.613 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.136 -6.267 5.830 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.400 -3.550 6.196 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.283 -5.757 6.405 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.417 -4.397 6.587 1.00 15.00 C ATOM 0 H PHE A 308 0.390 -6.611 2.265 1.00 15.00 H new ATOM 0 HA PHE A 308 0.351 -4.121 3.831 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.072 -6.984 4.399 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.888 -6.142 5.599 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.467 -3.398 5.303 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.038 -7.334 5.697 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.497 -2.485 6.345 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.075 -6.424 6.712 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.315 -3.996 7.034 1.00 15.00 H new ATOM 463 N THR A 309 2.950 -5.650 2.865 1.00 15.00 N ATOM 464 CA THR A 309 4.397 -5.748 2.863 1.00 15.00 C ATOM 465 C THR A 309 5.065 -4.520 2.240 1.00 15.00 C ATOM 466 O THR A 309 4.886 -4.236 1.053 1.00 15.00 O ATOM 467 CB THR A 309 4.820 -7.011 2.097 1.00 15.00 C ATOM 468 OG1 THR A 309 3.810 -7.336 1.128 1.00 15.00 O ATOM 469 CG2 THR A 309 5.019 -8.181 3.045 1.00 15.00 C ATOM 0 H THR A 309 2.506 -6.056 2.041 1.00 15.00 H new ATOM 0 HA THR A 309 4.725 -5.803 3.901 1.00 15.00 H new ATOM 0 HB THR A 309 5.768 -6.816 1.595 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.076 -8.140 0.635 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.318 -9.062 2.478 1.00 15.00 H new ATOM 0 HG22 THR A 309 5.796 -7.935 3.769 1.00 15.00 H new ATOM 0 HG23 THR A 309 4.086 -8.387 3.570 1.00 15.00 H new ATOM 477 N ASP A 310 5.824 -3.792 3.053 1.00 15.00 N ATOM 478 CA ASP A 310 6.643 -2.689 2.556 1.00 15.00 C ATOM 479 C ASP A 310 8.075 -3.170 2.353 1.00 15.00 C ATOM 480 O ASP A 310 8.706 -3.675 3.283 1.00 15.00 O ATOM 481 CB ASP A 310 6.615 -1.503 3.526 1.00 15.00 C ATOM 482 CG ASP A 310 7.585 -0.402 3.135 1.00 15.00 C ATOM 483 OD1 ASP A 310 7.205 0.482 2.344 1.00 15.00 O ATOM 484 OD2 ASP A 310 8.730 -0.407 3.631 1.00 15.00 O1- ATOM 0 H ASP A 310 5.890 -3.945 4.059 1.00 15.00 H new ATOM 0 HA ASP A 310 6.234 -2.353 1.603 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.605 -1.095 3.565 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.856 -1.854 4.529 1.00 15.00 H new ATOM 489 N PRO A 311 8.607 -3.005 1.137 1.00 15.00 N ATOM 490 CA PRO A 311 9.915 -3.548 0.751 1.00 15.00 C ATOM 491 C PRO A 311 11.091 -2.881 1.464 1.00 15.00 C ATOM 492 O PRO A 311 12.211 -3.391 1.432 1.00 15.00 O ATOM 493 CB PRO A 311 9.977 -3.288 -0.754 1.00 15.00 C ATOM 494 CG PRO A 311 9.083 -2.119 -0.971 1.00 15.00 C ATOM 495 CD PRO A 311 7.974 -2.260 0.033 1.00 15.00 C ATOM 0 HA PRO A 311 10.002 -4.599 1.026 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.996 -3.073 -1.077 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.639 -4.156 -1.320 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.622 -1.183 -0.829 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.691 -2.110 -1.988 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.605 -1.289 0.363 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.123 -2.801 -0.381 1.00 15.00 H new ATOM 628 N PRO B 207 -7.184 -8.889 6.565 1.00 15.00 N ATOM 629 CA PRO B 207 -7.345 -8.668 5.126 1.00 15.00 C ATOM 630 C PRO B 207 -6.995 -7.232 4.731 1.00 15.00 C ATOM 631 O PRO B 207 -7.591 -6.275 5.236 1.00 15.00 O ATOM 632 CB PRO B 207 -8.831 -8.958 4.867 1.00 15.00 C ATOM 633 CG PRO B 207 -9.477 -8.996 6.214 1.00 15.00 C ATOM 634 CD PRO B 207 -8.409 -9.413 7.183 1.00 15.00 C ATOM 0 HA PRO B 207 -6.680 -9.301 4.539 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.277 -8.186 4.241 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.960 -9.906 4.344 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.882 -8.019 6.479 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.309 -9.700 6.226 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.575 -8.990 8.174 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.371 -10.496 7.301 1.00 15.00 H new ATOM 642 N PRO B 208 -5.990 -7.075 3.850 1.00 15.00 N ATOM 643 CA PRO B 208 -5.551 -5.769 3.344 1.00 15.00 C ATOM 644 C PRO B 208 -6.705 -4.904 2.822 1.00 15.00 C ATOM 645 O PRO B 208 -7.690 -5.416 2.282 1.00 15.00 O ATOM 646 CB PRO B 208 -4.599 -6.136 2.204 1.00 15.00 C ATOM 647 CG PRO B 208 -4.069 -7.480 2.563 1.00 15.00 C ATOM 648 CD PRO B 208 -5.159 -8.175 3.332 1.00 15.00 C ATOM 0 HA PRO B 208 -5.095 -5.168 4.131 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.120 -6.160 1.247 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.795 -5.406 2.111 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.804 -8.044 1.669 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.164 -7.393 3.165 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.735 -8.843 2.692 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.752 -8.782 4.141 1.00 15.00 H new ATOM 656 N PRO B 209 -6.563 -3.574 2.945 1.00 15.00 N ATOM 657 CA PRO B 209 -7.613 -2.604 2.606 1.00 15.00 C ATOM 658 C PRO B 209 -7.896 -2.550 1.101 1.00 15.00 C ATOM 659 O PRO B 209 -6.971 -2.456 0.295 1.00 15.00 O ATOM 660 CB PRO B 209 -7.029 -1.261 3.097 1.00 15.00 C ATOM 661 CG PRO B 209 -5.898 -1.636 3.985 1.00 15.00 C ATOM 662 CD PRO B 209 -5.348 -2.897 3.404 1.00 15.00 C ATOM 0 HA PRO B 209 -8.569 -2.861 3.062 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.689 -0.649 2.261 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.777 -0.678 3.635 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.141 -0.852 4.012 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.236 -1.789 5.010 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.656 -2.701 2.585 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.807 -3.486 4.145 1.00 15.00 H new ATOM 670 N PRO B 210 -9.184 -2.611 0.716 1.00 15.00 N ATOM 671 CA PRO B 210 -9.613 -2.546 -0.691 1.00 15.00 C ATOM 672 C PRO B 210 -9.011 -1.354 -1.434 1.00 15.00 C ATOM 673 O PRO B 210 -8.903 -0.256 -0.882 1.00 15.00 O ATOM 674 CB PRO B 210 -11.132 -2.395 -0.584 1.00 15.00 C ATOM 675 CG PRO B 210 -11.482 -3.040 0.709 1.00 15.00 C ATOM 676 CD PRO B 210 -10.330 -2.757 1.632 1.00 15.00 C ATOM 0 HA PRO B 210 -9.291 -3.421 -1.256 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.428 -1.346 -0.597 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.638 -2.879 -1.419 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.412 -2.636 1.109 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.629 -4.113 0.584 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.496 -1.851 2.215 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.175 -3.569 2.342 1.00 15.00 H new ATOM 684 N TYR B 211 -8.642 -1.568 -2.693 1.00 15.00 N ATOM 685 CA TYR B 211 -7.956 -0.541 -3.460 1.00 15.00 C ATOM 686 C TYR B 211 -8.909 0.558 -3.914 1.00 15.00 C ATOM 687 O TYR B 211 -9.674 0.392 -4.867 1.00 15.00 O ATOM 688 CB TYR B 211 -7.218 -1.125 -4.677 1.00 15.00 C ATOM 689 CG TYR B 211 -6.580 -0.061 -5.561 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.897 1.011 -4.999 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.672 -0.117 -6.949 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.330 1.994 -5.789 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.099 0.867 -7.741 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.437 1.911 -7.159 1.00 15.00 C ATOM 695 OH TYR B 211 -4.890 2.882 -7.961 1.00 15.00 O ATOM 0 H TYR B 211 -8.806 -2.438 -3.199 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.217 -0.104 -2.788 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.445 -1.811 -4.330 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.919 -1.710 -5.272 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.807 1.078 -3.925 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.197 -0.938 -7.415 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.806 2.822 -5.334 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.176 0.808 -8.817 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.164 3.332 -7.481 1.00 15.00 H new ATOM 705 N SER B 212 -8.884 1.659 -3.189 1.00 15.00 N ATOM 706 CA SER B 212 -9.454 2.904 -3.663 1.00 15.00 C ATOM 707 C SER B 212 -8.311 3.685 -4.294 1.00 15.00 C ATOM 708 O SER B 212 -7.237 3.772 -3.700 1.00 15.00 O ATOM 709 CB SER B 212 -10.085 3.684 -2.502 1.00 15.00 C ATOM 710 OG SER B 212 -10.921 4.734 -2.972 1.00 15.00 O ATOM 0 H SER B 212 -8.470 1.716 -2.259 1.00 15.00 H new ATOM 0 HA SER B 212 -10.249 2.728 -4.388 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.668 3.004 -1.880 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.299 4.098 -1.871 1.00 15.00 H new ATOM 0 HG SER B 212 -11.309 5.210 -2.208 1.00 15.00 H new ATOM 716 N ARG B 213 -8.529 4.256 -5.474 1.00 15.00 N ATOM 717 CA ARG B 213 -7.416 4.779 -6.263 1.00 15.00 C ATOM 718 C ARG B 213 -6.652 5.858 -5.514 1.00 15.00 C ATOM 719 O ARG B 213 -5.425 5.853 -5.501 1.00 15.00 O ATOM 720 CB ARG B 213 -7.881 5.345 -7.603 1.00 15.00 C ATOM 721 CG ARG B 213 -8.592 4.350 -8.500 1.00 15.00 C ATOM 722 CD ARG B 213 -8.639 4.856 -9.933 1.00 15.00 C ATOM 723 NE ARG B 213 -8.979 6.276 -9.996 1.00 15.00 N ATOM 724 CZ ARG B 213 -8.286 7.173 -10.700 1.00 15.00 C ATOM 725 NH1 ARG B 213 -7.264 6.783 -11.452 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -8.616 8.455 -10.652 1.00 15.00 N ATOM 0 H ARG B 213 -9.449 4.368 -5.901 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.755 3.931 -6.445 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -8.549 6.185 -7.415 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.015 5.739 -8.135 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.078 3.389 -8.465 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.605 4.183 -8.135 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.672 4.692 -10.408 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.373 4.281 -10.498 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.792 6.600 -9.472 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.008 5.797 -11.492 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.735 7.470 -11.990 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -9.401 8.758 -10.076 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.085 9.139 -11.191 1.00 15.00 H new ATOM 740 N TYR B 214 -7.367 6.792 -4.910 1.00 15.00 N ATOM 741 CA TYR B 214 -6.718 7.855 -4.164 1.00 15.00 C ATOM 742 C TYR B 214 -7.135 7.805 -2.705 1.00 15.00 C ATOM 743 O TYR B 214 -8.182 8.319 -2.316 1.00 15.00 O ATOM 744 CB TYR B 214 -6.986 9.227 -4.799 1.00 15.00 C ATOM 745 CG TYR B 214 -6.158 9.463 -6.047 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.171 8.544 -7.087 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.343 10.581 -6.176 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.402 8.720 -8.214 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.570 10.772 -7.310 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.603 9.834 -8.325 1.00 15.00 C ATOM 751 OH TYR B 214 -3.833 10.007 -9.451 1.00 15.00 O ATOM 0 H TYR B 214 -8.386 6.836 -4.921 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.640 7.700 -4.204 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.044 9.307 -5.049 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.770 10.009 -4.071 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.800 7.670 -7.010 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.312 11.311 -5.381 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.426 7.987 -9.007 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.945 11.648 -7.400 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.327 10.843 -9.376 1.00 15.00 H new ATOM 761 N PRO B 215 -6.313 7.127 -1.895 1.00 15.00 N ATOM 762 CA PRO B 215 -6.579 6.854 -0.492 1.00 15.00 C ATOM 763 C PRO B 215 -5.882 7.842 0.439 1.00 15.00 C ATOM 764 O PRO B 215 -5.742 7.591 1.637 1.00 15.00 O ATOM 765 CB PRO B 215 -5.977 5.451 -0.338 1.00 15.00 C ATOM 766 CG PRO B 215 -4.886 5.360 -1.372 1.00 15.00 C ATOM 767 CD PRO B 215 -5.033 6.539 -2.298 1.00 15.00 C ATOM 0 HA PRO B 215 -7.634 6.935 -0.232 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.578 5.304 0.666 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.732 4.681 -0.497 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.906 5.368 -0.895 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.963 4.425 -1.928 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.211 7.246 -2.182 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.043 6.231 -3.343 1.00 15.00 H new