USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 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= 0.467 K(o=0.42,f=-5.5!) USER MOD Set 1.2: B 211 TYR OH : rot -133:sc= -0.0427 USER MOD Single : A 290 SER OG : rot 180:sc= -0.0334 USER MOD Single : A 291 THR OG1 : rot -130:sc= -2! USER MOD Single : A 293 SER OG : rot -20:sc= 0.141 USER MOD Single : A 297 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 302 ASN :FLIP amide:sc= -0.0499 F(o=-1.6!,f=-0.05) USER MOD Single : A 303 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 305 THR OG1 : rot 180:sc=-0.00451 USER MOD Single : A 306 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 307 GLN : amide:sc= 0.523 K(o=0.52,f=-0.2) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HE2:sc= -3.03! C(o=-3!,f=-3.7!) USER MOD Single : B 206 SER OG : rot 180:sc= 0.0106 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 -157:sc= -0.197 (180deg=-0.931) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 13.581 11.274 -3.945 1.00 15.00 N ATOM 2 CA GLY A 280 12.596 10.276 -3.466 1.00 15.00 C ATOM 3 C GLY A 280 12.962 8.862 -3.876 1.00 15.00 C ATOM 4 O GLY A 280 12.825 8.503 -5.046 1.00 15.00 O ATOM 0 HA2 GLY A 280 12.526 10.330 -2.380 1.00 15.00 H new ATOM 0 HA3 GLY A 280 11.611 10.523 -3.861 1.00 15.00 H new ATOM 10 N PRO A 281 13.440 8.030 -2.934 1.00 15.00 N ATOM 11 CA PRO A 281 13.773 6.629 -3.211 1.00 15.00 C ATOM 12 C PRO A 281 12.526 5.770 -3.414 1.00 15.00 C ATOM 13 O PRO A 281 12.613 4.595 -3.780 1.00 15.00 O ATOM 14 CB PRO A 281 14.536 6.186 -1.959 1.00 15.00 C ATOM 15 CG PRO A 281 14.038 7.080 -0.876 1.00 15.00 C ATOM 16 CD PRO A 281 13.710 8.394 -1.530 1.00 15.00 C ATOM 0 HA PRO A 281 14.347 6.520 -4.131 1.00 15.00 H new ATOM 0 HB2 PRO A 281 14.343 5.138 -1.728 1.00 15.00 H new ATOM 0 HB3 PRO A 281 15.613 6.290 -2.094 1.00 15.00 H new ATOM 0 HG2 PRO A 281 13.157 6.655 -0.395 1.00 15.00 H new ATOM 0 HG3 PRO A 281 14.793 7.209 -0.101 1.00 15.00 H new ATOM 0 HD2 PRO A 281 12.845 8.867 -1.066 1.00 15.00 H new ATOM 0 HD3 PRO A 281 14.538 9.098 -1.451 1.00 15.00 H new ATOM 24 N LEU A 282 11.369 6.365 -3.157 1.00 15.00 N ATOM 25 CA LEU A 282 10.097 5.697 -3.366 1.00 15.00 C ATOM 26 C LEU A 282 9.499 6.139 -4.700 1.00 15.00 C ATOM 27 O LEU A 282 9.180 7.317 -4.884 1.00 15.00 O ATOM 28 CB LEU A 282 9.135 6.018 -2.218 1.00 15.00 C ATOM 29 CG LEU A 282 7.822 5.232 -2.225 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.086 3.743 -2.053 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.899 5.737 -1.128 1.00 15.00 C ATOM 0 H LEU A 282 11.288 7.317 -2.800 1.00 15.00 H new ATOM 0 HA LEU A 282 10.258 4.619 -3.388 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.647 5.830 -1.274 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.902 7.082 -2.248 1.00 15.00 H new ATOM 0 HG LEU A 282 7.335 5.384 -3.188 1.00 15.00 H new ATOM 0 HD11 LEU A 282 7.140 3.202 -2.061 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.713 3.388 -2.871 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.594 3.571 -1.104 1.00 15.00 H new ATOM 0 HD21 LEU A 282 5.969 5.169 -1.145 1.00 15.00 H new ATOM 0 HD22 LEU A 282 7.383 5.612 -0.159 1.00 15.00 H new ATOM 0 HD23 LEU A 282 6.682 6.793 -1.292 1.00 15.00 H new ATOM 43 N PRO A 283 9.365 5.201 -5.652 1.00 15.00 N ATOM 44 CA PRO A 283 8.842 5.489 -6.996 1.00 15.00 C ATOM 45 C PRO A 283 7.453 6.132 -6.957 1.00 15.00 C ATOM 46 O PRO A 283 6.609 5.735 -6.153 1.00 15.00 O ATOM 47 CB PRO A 283 8.759 4.104 -7.651 1.00 15.00 C ATOM 48 CG PRO A 283 9.737 3.266 -6.904 1.00 15.00 C ATOM 49 CD PRO A 283 9.716 3.777 -5.492 1.00 15.00 C ATOM 0 HA PRO A 283 9.474 6.197 -7.531 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.752 3.693 -7.580 1.00 15.00 H new ATOM 0 HB3 PRO A 283 9.009 4.153 -8.711 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.460 2.212 -6.943 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.734 3.350 -7.336 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.983 3.248 -4.883 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.683 3.653 -5.005 1.00 15.00 H new ATOM 57 N PRO A 284 7.187 7.129 -7.831 1.00 15.00 N ATOM 58 CA PRO A 284 5.869 7.784 -7.915 1.00 15.00 C ATOM 59 C PRO A 284 4.736 6.814 -8.260 1.00 15.00 C ATOM 60 O PRO A 284 3.558 7.166 -8.176 1.00 15.00 O ATOM 61 CB PRO A 284 6.035 8.817 -9.034 1.00 15.00 C ATOM 62 CG PRO A 284 7.503 9.024 -9.163 1.00 15.00 C ATOM 63 CD PRO A 284 8.152 7.725 -8.777 1.00 15.00 C ATOM 0 HA PRO A 284 5.589 8.215 -6.954 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.605 8.457 -9.969 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.527 9.749 -8.787 1.00 15.00 H new ATOM 0 HG2 PRO A 284 7.768 9.302 -10.183 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.839 9.833 -8.515 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.314 7.084 -9.643 1.00 15.00 H new ATOM 0 HD3 PRO A 284 9.125 7.884 -8.312 1.00 15.00 H new ATOM 71 N GLY A 285 5.097 5.602 -8.671 1.00 15.00 N ATOM 72 CA GLY A 285 4.102 4.586 -8.955 1.00 15.00 C ATOM 73 C GLY A 285 3.633 3.890 -7.693 1.00 15.00 C ATOM 74 O GLY A 285 2.599 3.218 -7.687 1.00 15.00 O ATOM 0 H GLY A 285 6.063 5.306 -8.812 1.00 15.00 H new ATOM 0 HA2 GLY A 285 3.249 5.043 -9.457 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.520 3.850 -9.642 1.00 15.00 H new ATOM 78 N TRP A 286 4.398 4.058 -6.620 1.00 15.00 N ATOM 79 CA TRP A 286 4.061 3.465 -5.338 1.00 15.00 C ATOM 80 C TRP A 286 3.267 4.445 -4.494 1.00 15.00 C ATOM 81 O TRP A 286 3.821 5.392 -3.934 1.00 15.00 O ATOM 82 CB TRP A 286 5.332 2.991 -4.603 1.00 15.00 C ATOM 83 CG TRP A 286 5.752 1.632 -5.062 1.00 15.00 C ATOM 84 CD1 TRP A 286 6.090 1.276 -6.334 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.841 0.435 -4.272 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.348 -0.065 -6.399 1.00 15.00 N ATOM 87 CE2 TRP A 286 6.199 -0.608 -5.153 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.642 0.130 -2.915 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.351 -1.926 -4.730 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.790 -1.182 -2.510 1.00 15.00 C ATOM 91 CH2 TRP A 286 6.132 -2.196 -3.410 1.00 15.00 C ATOM 0 H TRP A 286 5.260 4.604 -6.617 1.00 15.00 H new ATOM 0 HA TRP A 286 3.436 2.589 -5.514 1.00 15.00 H new ATOM 0 HB2 TRP A 286 6.141 3.701 -4.776 1.00 15.00 H new ATOM 0 HB3 TRP A 286 5.148 2.973 -3.529 1.00 15.00 H new ATOM 0 HD1 TRP A 286 6.146 1.956 -7.171 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.609 -0.578 -7.241 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.380 0.902 -2.207 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.632 -2.707 -5.421 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.638 -1.431 -1.470 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.225 -3.212 -3.054 1.00 15.00 H new ATOM 102 N GLU A 287 1.956 4.238 -4.439 1.00 15.00 N ATOM 103 CA GLU A 287 1.097 5.109 -3.669 1.00 15.00 C ATOM 104 C GLU A 287 0.955 4.536 -2.268 1.00 15.00 C ATOM 105 O GLU A 287 0.342 3.487 -2.060 1.00 15.00 O ATOM 106 CB GLU A 287 -0.243 5.284 -4.393 1.00 15.00 C ATOM 107 CG GLU A 287 -1.298 6.058 -3.618 1.00 15.00 C ATOM 108 CD GLU A 287 -2.106 6.971 -4.523 1.00 15.00 C ATOM 109 OE1 GLU A 287 -2.992 6.469 -5.247 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -1.839 8.191 -4.529 1.00 15.00 O ATOM 0 H GLU A 287 1.474 3.477 -4.918 1.00 15.00 H new ATOM 0 HA GLU A 287 1.527 6.106 -3.573 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.063 5.793 -5.340 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.641 4.298 -4.632 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -1.967 5.358 -3.117 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -0.816 6.651 -2.841 1.00 15.00 H new ATOM 117 N VAL A 288 1.591 5.204 -1.320 1.00 15.00 N ATOM 118 CA VAL A 288 1.747 4.673 0.021 1.00 15.00 C ATOM 119 C VAL A 288 0.742 5.282 0.995 1.00 15.00 C ATOM 120 O VAL A 288 0.531 6.497 1.020 1.00 15.00 O ATOM 121 CB VAL A 288 3.190 4.902 0.535 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.549 6.383 0.534 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.376 4.307 1.921 1.00 15.00 C ATOM 0 H VAL A 288 2.011 6.123 -1.458 1.00 15.00 H new ATOM 0 HA VAL A 288 1.553 3.602 -0.033 1.00 15.00 H new ATOM 0 HB VAL A 288 3.867 4.391 -0.149 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.568 6.511 0.900 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.476 6.774 -0.481 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.860 6.925 1.182 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.398 4.482 2.258 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.679 4.777 2.615 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.184 3.235 1.885 1.00 15.00 H new ATOM 133 N ARG A 289 0.110 4.420 1.771 1.00 15.00 N ATOM 134 CA ARG A 289 -0.782 4.840 2.837 1.00 15.00 C ATOM 135 C ARG A 289 -0.571 3.949 4.055 1.00 15.00 C ATOM 136 O ARG A 289 -0.198 2.784 3.919 1.00 15.00 O ATOM 137 CB ARG A 289 -2.238 4.810 2.352 1.00 15.00 C ATOM 138 CG ARG A 289 -2.692 6.125 1.740 1.00 15.00 C ATOM 139 CD ARG A 289 -2.733 7.233 2.783 1.00 15.00 C ATOM 140 NE ARG A 289 -2.924 8.558 2.190 1.00 15.00 N ATOM 141 CZ ARG A 289 -3.334 9.631 2.875 1.00 15.00 C ATOM 142 NH1 ARG A 289 -3.698 9.515 4.144 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -3.400 10.817 2.284 1.00 15.00 N ATOM 0 H ARG A 289 0.201 3.408 1.680 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.557 5.867 3.125 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.352 4.015 1.615 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.889 4.563 3.191 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.015 6.406 0.933 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.681 6.001 1.298 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.541 7.034 3.487 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.804 7.225 3.353 1.00 15.00 H new ATOM 0 HE ARG A 289 -2.733 8.669 1.194 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -3.666 8.604 4.602 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -4.010 10.336 4.662 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -3.137 10.913 1.303 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -3.713 11.632 2.811 1.00 15.00 H new ATOM 157 N SER A 290 -0.779 4.498 5.241 1.00 15.00 N ATOM 158 CA SER A 290 -0.550 3.760 6.477 1.00 15.00 C ATOM 159 C SER A 290 -1.727 3.934 7.430 1.00 15.00 C ATOM 160 O SER A 290 -2.255 5.036 7.580 1.00 15.00 O ATOM 161 CB SER A 290 0.733 4.258 7.145 1.00 15.00 C ATOM 162 OG SER A 290 1.808 4.284 6.224 1.00 15.00 O ATOM 0 H SER A 290 -1.107 5.454 5.376 1.00 15.00 H new ATOM 0 HA SER A 290 -0.449 2.701 6.238 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.572 5.257 7.550 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.985 3.611 7.985 1.00 15.00 H new ATOM 0 HG SER A 290 2.616 4.607 6.674 1.00 15.00 H new ATOM 168 N THR A 291 -2.123 2.851 8.084 1.00 15.00 N ATOM 169 CA THR A 291 -3.159 2.921 9.096 1.00 15.00 C ATOM 170 C THR A 291 -2.515 3.189 10.455 1.00 15.00 C ATOM 171 O THR A 291 -1.410 2.711 10.732 1.00 15.00 O ATOM 172 CB THR A 291 -3.991 1.618 9.158 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.119 0.482 9.157 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.972 1.515 7.991 1.00 15.00 C ATOM 0 H THR A 291 -1.742 1.918 7.930 1.00 15.00 H new ATOM 0 HA THR A 291 -3.838 3.732 8.833 1.00 15.00 H new ATOM 0 HB THR A 291 -4.570 1.639 10.081 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.416 -0.158 8.476 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.537 0.586 8.071 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.659 2.361 8.017 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.421 1.524 7.051 1.00 15.00 H new ATOM 182 N VAL A 292 -3.205 3.946 11.300 1.00 15.00 N ATOM 183 CA VAL A 292 -2.661 4.364 12.593 1.00 15.00 C ATOM 184 C VAL A 292 -2.463 3.158 13.519 1.00 15.00 C ATOM 185 O VAL A 292 -1.758 3.233 14.525 1.00 15.00 O ATOM 186 CB VAL A 292 -3.573 5.410 13.270 1.00 15.00 C ATOM 187 CG1 VAL A 292 -2.913 5.981 14.513 1.00 15.00 C ATOM 188 CG2 VAL A 292 -3.918 6.525 12.296 1.00 15.00 C ATOM 0 H VAL A 292 -4.148 4.286 11.114 1.00 15.00 H new ATOM 0 HA VAL A 292 -1.690 4.824 12.408 1.00 15.00 H new ATOM 0 HB VAL A 292 -4.494 4.911 13.571 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -3.575 6.715 14.972 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -2.716 5.177 15.222 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -1.974 6.461 14.238 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -4.561 7.253 12.790 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -3.002 7.015 11.965 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -4.438 6.107 11.434 1.00 15.00 H new ATOM 198 N SER A 293 -3.081 2.043 13.149 1.00 15.00 N ATOM 199 CA SER A 293 -2.906 0.779 13.856 1.00 15.00 C ATOM 200 C SER A 293 -1.445 0.320 13.817 1.00 15.00 C ATOM 201 O SER A 293 -1.037 -0.579 14.553 1.00 15.00 O ATOM 202 CB SER A 293 -3.817 -0.293 13.244 1.00 15.00 C ATOM 203 OG SER A 293 -3.745 -1.511 13.963 1.00 15.00 O ATOM 0 H SER A 293 -3.716 1.989 12.353 1.00 15.00 H new ATOM 0 HA SER A 293 -3.181 0.930 14.900 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.846 0.065 13.236 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.531 -0.465 12.206 1.00 15.00 H new ATOM 0 HG SER A 293 -2.919 -1.531 14.490 1.00 15.00 H new ATOM 209 N GLY A 294 -0.662 0.931 12.937 1.00 15.00 N ATOM 210 CA GLY A 294 0.711 0.518 12.756 1.00 15.00 C ATOM 211 C GLY A 294 0.821 -0.545 11.696 1.00 15.00 C ATOM 212 O GLY A 294 1.368 -1.625 11.924 1.00 15.00 O ATOM 0 H GLY A 294 -0.957 1.707 12.345 1.00 15.00 H new ATOM 0 HA2 GLY A 294 1.319 1.378 12.477 1.00 15.00 H new ATOM 0 HA3 GLY A 294 1.107 0.139 13.698 1.00 15.00 H new ATOM 216 N ARG A 295 0.259 -0.236 10.542 1.00 15.00 N ATOM 217 CA ARG A 295 0.273 -1.131 9.402 1.00 15.00 C ATOM 218 C ARG A 295 0.525 -0.338 8.130 1.00 15.00 C ATOM 219 O ARG A 295 -0.205 0.607 7.826 1.00 15.00 O ATOM 220 CB ARG A 295 -1.062 -1.872 9.284 1.00 15.00 C ATOM 221 CG ARG A 295 -1.229 -3.021 10.261 1.00 15.00 C ATOM 222 CD ARG A 295 -0.390 -4.218 9.850 1.00 15.00 C ATOM 223 NE ARG A 295 -0.476 -5.307 10.816 1.00 15.00 N ATOM 224 CZ ARG A 295 0.161 -6.464 10.678 1.00 15.00 C ATOM 225 NH1 ARG A 295 0.960 -6.660 9.638 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 0.015 -7.424 11.582 1.00 15.00 N ATOM 0 H ARG A 295 -0.222 0.647 10.369 1.00 15.00 H new ATOM 0 HA ARG A 295 1.070 -1.861 9.544 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.873 -1.160 9.437 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -1.162 -2.257 8.269 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.940 -2.697 11.261 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -2.279 -3.310 10.311 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -0.720 -4.573 8.874 1.00 15.00 H new ATOM 0 HD3 ARG A 295 0.650 -3.911 9.742 1.00 15.00 H new ATOM 0 HE ARG A 295 -1.057 -5.173 11.643 1.00 15.00 H new ATOM 0 HH11 ARG A 295 1.085 -5.922 8.945 1.00 15.00 H new ATOM 0 HH12 ARG A 295 1.450 -7.548 9.531 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -0.590 -7.276 12.390 1.00 15.00 H new ATOM 0 HH22 ARG A 295 0.508 -8.310 11.469 1.00 15.00 H new ATOM 240 N ILE A 296 1.548 -0.726 7.393 1.00 15.00 N ATOM 241 CA ILE A 296 1.820 -0.120 6.103 1.00 15.00 C ATOM 242 C ILE A 296 1.069 -0.910 5.043 1.00 15.00 C ATOM 243 O ILE A 296 0.969 -2.132 5.136 1.00 15.00 O ATOM 244 CB ILE A 296 3.340 -0.096 5.783 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.619 0.665 4.484 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.908 -1.505 5.691 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.297 2.134 4.567 1.00 15.00 C ATOM 0 H ILE A 296 2.204 -1.458 7.665 1.00 15.00 H new ATOM 0 HA ILE A 296 1.486 0.917 6.119 1.00 15.00 H new ATOM 0 HB ILE A 296 3.834 0.423 6.604 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.670 0.546 4.221 1.00 15.00 H new ATOM 0 HG13 ILE A 296 3.036 0.218 3.678 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.973 -1.454 5.466 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.762 -2.019 6.641 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.396 -2.053 4.900 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.519 2.610 3.612 1.00 15.00 H new ATOM 0 HD12 ILE A 296 2.240 2.262 4.799 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.899 2.595 5.350 1.00 15.00 H new ATOM 259 N TYR A 297 0.517 -0.226 4.061 1.00 15.00 N ATOM 260 CA TYR A 297 -0.296 -0.900 3.075 1.00 15.00 C ATOM 261 C TYR A 297 -0.200 -0.173 1.756 1.00 15.00 C ATOM 262 O TYR A 297 -0.433 1.038 1.658 1.00 15.00 O ATOM 263 CB TYR A 297 -1.759 -1.078 3.528 1.00 15.00 C ATOM 264 CG TYR A 297 -2.585 0.187 3.647 1.00 15.00 C ATOM 265 CD1 TYR A 297 -2.520 0.979 4.784 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.460 0.568 2.631 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.295 2.117 4.904 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.234 1.706 2.746 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.150 2.474 3.885 1.00 15.00 C ATOM 270 OH TYR A 297 -4.916 3.612 4.008 1.00 15.00 O ATOM 0 H TYR A 297 0.615 0.780 3.927 1.00 15.00 H new ATOM 0 HA TYR A 297 0.095 -1.910 2.951 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.256 -1.746 2.824 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.759 -1.578 4.496 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -1.854 0.702 5.588 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.534 -0.037 1.739 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.230 2.725 5.794 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.902 1.992 1.947 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.465 3.725 3.204 1.00 15.00 H new ATOM 280 N PHE A 298 0.187 -0.919 0.756 1.00 15.00 N ATOM 281 CA PHE A 298 0.425 -0.376 -0.540 1.00 15.00 C ATOM 282 C PHE A 298 -0.716 -0.530 -1.479 1.00 15.00 C ATOM 283 O PHE A 298 -1.470 -1.497 -1.433 1.00 15.00 O ATOM 284 CB PHE A 298 1.643 -1.007 -1.140 1.00 15.00 C ATOM 285 CG PHE A 298 2.838 -0.234 -0.795 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.962 1.045 -1.293 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.828 -0.758 0.009 1.00 15.00 C ATOM 288 CE1 PHE A 298 4.059 1.796 -1.006 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.941 -0.012 0.291 1.00 15.00 C ATOM 290 CZ PHE A 298 5.049 1.264 -0.221 1.00 15.00 C ATOM 0 H PHE A 298 0.345 -1.924 0.825 1.00 15.00 H new ATOM 0 HA PHE A 298 0.569 0.695 -0.394 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.746 -2.030 -0.778 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.537 -1.061 -2.223 1.00 15.00 H new ATOM 0 HD1 PHE A 298 2.181 1.455 -1.917 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.726 -1.754 0.415 1.00 15.00 H new ATOM 0 HE1 PHE A 298 4.149 2.801 -1.392 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.727 -0.419 0.909 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.927 1.853 -0.000 1.00 15.00 H new ATOM 300 N VAL A 299 -0.779 0.432 -2.365 1.00 15.00 N ATOM 301 CA VAL A 299 -1.715 0.421 -3.448 1.00 15.00 C ATOM 302 C VAL A 299 -1.003 0.915 -4.711 1.00 15.00 C ATOM 303 O VAL A 299 -0.546 2.065 -4.799 1.00 15.00 O ATOM 304 CB VAL A 299 -2.988 1.247 -3.120 1.00 15.00 C ATOM 305 CG1 VAL A 299 -3.742 0.632 -1.946 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.668 2.699 -2.814 1.00 15.00 C ATOM 0 H VAL A 299 -0.172 1.252 -2.350 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.068 -0.596 -3.617 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.616 1.222 -4.010 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.631 1.226 -1.733 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.038 -0.386 -2.197 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.097 0.616 -1.068 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.590 3.236 -2.591 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.001 2.751 -1.954 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.183 3.154 -3.677 1.00 15.00 H new ATOM 316 N ASP A 300 -0.818 -0.001 -5.649 1.00 15.00 N ATOM 317 CA ASP A 300 -0.177 0.328 -6.910 1.00 15.00 C ATOM 318 C ASP A 300 -1.252 0.538 -7.963 1.00 15.00 C ATOM 319 O ASP A 300 -2.268 -0.164 -7.963 1.00 15.00 O ATOM 320 CB ASP A 300 0.800 -0.777 -7.339 1.00 15.00 C ATOM 321 CG ASP A 300 0.182 -1.782 -8.295 1.00 15.00 C ATOM 322 OD1 ASP A 300 -0.418 -2.770 -7.829 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.288 -1.570 -9.524 1.00 15.00 O ATOM 0 H ASP A 300 -1.103 -0.976 -5.560 1.00 15.00 H new ATOM 0 HA ASP A 300 0.404 1.243 -6.792 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.669 -0.321 -7.813 1.00 15.00 H new ATOM 0 HB3 ASP A 300 1.158 -1.301 -6.453 1.00 15.00 H new ATOM 328 N HIS A 301 -1.019 1.493 -8.858 1.00 15.00 N ATOM 329 CA HIS A 301 -2.021 1.888 -9.843 1.00 15.00 C ATOM 330 C HIS A 301 -1.958 1.051 -11.119 1.00 15.00 C ATOM 331 O HIS A 301 -2.887 1.087 -11.925 1.00 15.00 O ATOM 332 CB HIS A 301 -1.878 3.370 -10.209 1.00 15.00 C ATOM 333 CG HIS A 301 -2.577 4.302 -9.269 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.943 4.471 -9.266 1.00 15.00 N ATOM 335 CD2 HIS A 301 -2.096 5.138 -8.317 1.00 15.00 C ATOM 336 CE1 HIS A 301 -4.270 5.377 -8.360 1.00 15.00 C ATOM 337 NE2 HIS A 301 -3.168 5.795 -7.763 1.00 15.00 N ATOM 0 H HIS A 301 -0.142 2.010 -8.922 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.989 1.714 -9.372 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.819 3.626 -10.237 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.269 3.524 -11.215 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -1.059 5.265 -8.044 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -5.272 5.719 -8.144 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -3.121 6.489 -7.017 1.00 15.00 H new ATOM 346 N ASN A 302 -0.873 0.319 -11.318 1.00 15.00 N ATOM 347 CA ASN A 302 -0.683 -0.408 -12.570 1.00 15.00 C ATOM 348 C ASN A 302 -1.410 -1.743 -12.543 1.00 15.00 C ATOM 349 O ASN A 302 -2.206 -2.045 -13.433 1.00 15.00 O ATOM 350 CB ASN A 302 0.806 -0.617 -12.865 1.00 15.00 C ATOM 351 CG ASN A 302 1.515 0.675 -13.233 1.00 15.00 C ATOM 352 OD1 ASN A 302 0.790 1.599 -13.852 1.00 15.00 O flip ATOM 353 ND2 ASN A 302 2.706 0.836 -12.975 1.00 15.00 N flip ATOM 0 H ASN A 302 -0.118 0.211 -10.641 1.00 15.00 H new ATOM 0 HA ASN A 302 -1.109 0.197 -13.370 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.288 -1.055 -11.991 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.914 -1.332 -13.681 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.228 0.101 -12.498 1.00 15.00 H new ATOM 0 HD22 ASN A 302 3.172 1.704 -13.238 1.00 15.00 H new ATOM 360 N ASN A 303 -1.127 -2.544 -11.532 1.00 15.00 N ATOM 361 CA ASN A 303 -1.820 -3.812 -11.351 1.00 15.00 C ATOM 362 C ASN A 303 -3.031 -3.632 -10.440 1.00 15.00 C ATOM 363 O ASN A 303 -3.897 -4.505 -10.368 1.00 15.00 O ATOM 364 CB ASN A 303 -0.883 -4.877 -10.767 1.00 15.00 C ATOM 365 CG ASN A 303 0.281 -5.232 -11.681 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.063 -5.184 -12.988 1.00 15.00 O flip ATOM 367 ND2 ASN A 303 1.369 -5.571 -11.209 1.00 15.00 N flip ATOM 0 H ASN A 303 -0.423 -2.342 -10.822 1.00 15.00 H new ATOM 0 HA ASN A 303 -2.157 -4.150 -12.331 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.491 -4.521 -9.815 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.458 -5.779 -10.558 1.00 15.00 H new ATOM 0 HD21 ASN A 303 1.501 -5.596 -10.198 1.00 15.00 H new ATOM 0 HD22 ASN A 303 2.137 -5.826 -11.830 1.00 15.00 H new ATOM 374 N ARG A 304 -3.071 -2.493 -9.743 1.00 15.00 N ATOM 375 CA ARG A 304 -4.098 -2.202 -8.746 1.00 15.00 C ATOM 376 C ARG A 304 -4.082 -3.259 -7.653 1.00 15.00 C ATOM 377 O ARG A 304 -4.973 -4.110 -7.561 1.00 15.00 O ATOM 378 CB ARG A 304 -5.488 -2.054 -9.376 1.00 15.00 C ATOM 379 CG ARG A 304 -5.563 -0.907 -10.374 1.00 15.00 C ATOM 380 CD ARG A 304 -6.977 -0.688 -10.892 1.00 15.00 C ATOM 381 NE ARG A 304 -7.069 0.520 -11.716 1.00 15.00 N ATOM 382 CZ ARG A 304 -8.160 0.888 -12.385 1.00 15.00 C ATOM 383 NH1 ARG A 304 -9.259 0.149 -12.338 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -8.158 2.008 -13.100 1.00 15.00 N ATOM 0 H ARG A 304 -2.387 -1.745 -9.857 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.865 -1.238 -8.293 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.756 -2.984 -9.877 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.224 -1.893 -8.588 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.205 0.008 -9.901 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.898 -1.113 -11.213 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.289 -1.553 -11.478 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.665 -0.608 -10.050 1.00 15.00 H new ATOM 0 HE ARG A 304 -6.245 1.117 -11.781 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -9.274 -0.709 -11.786 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -10.090 0.438 -12.853 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -7.320 2.588 -13.137 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -8.995 2.288 -13.612 1.00 15.00 H new ATOM 398 N THR A 305 -3.026 -3.222 -6.857 1.00 15.00 N ATOM 399 CA THR A 305 -2.783 -4.256 -5.859 1.00 15.00 C ATOM 400 C THR A 305 -2.551 -3.662 -4.473 1.00 15.00 C ATOM 401 O THR A 305 -2.057 -2.541 -4.339 1.00 15.00 O ATOM 402 CB THR A 305 -1.559 -5.111 -6.255 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.581 -5.359 -7.667 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.541 -6.438 -5.506 1.00 15.00 C ATOM 0 H THR A 305 -2.320 -2.486 -6.881 1.00 15.00 H new ATOM 0 HA THR A 305 -3.675 -4.881 -5.822 1.00 15.00 H new ATOM 0 HB THR A 305 -0.659 -4.557 -5.987 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.803 -5.900 -7.916 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.667 -7.015 -5.808 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.498 -6.250 -4.433 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.445 -7.000 -5.740 1.00 15.00 H new ATOM 412 N THR A 306 -2.926 -4.421 -3.449 1.00 15.00 N ATOM 413 CA THR A 306 -2.729 -4.016 -2.067 1.00 15.00 C ATOM 414 C THR A 306 -1.776 -4.981 -1.357 1.00 15.00 C ATOM 415 O THR A 306 -1.999 -6.191 -1.356 1.00 15.00 O ATOM 416 CB THR A 306 -4.075 -3.970 -1.316 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.022 -3.210 -2.078 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.914 -3.347 0.064 1.00 15.00 C ATOM 0 H THR A 306 -3.374 -5.331 -3.556 1.00 15.00 H new ATOM 0 HA THR A 306 -2.291 -3.018 -2.067 1.00 15.00 H new ATOM 0 HB THR A 306 -4.432 -4.992 -1.190 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.878 -3.182 -1.602 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.879 -3.328 0.570 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.209 -3.937 0.650 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.538 -2.329 -0.038 1.00 15.00 H new ATOM 426 N GLN A 307 -0.707 -4.445 -0.776 1.00 15.00 N ATOM 427 CA GLN A 307 0.279 -5.259 -0.060 1.00 15.00 C ATOM 428 C GLN A 307 0.509 -4.719 1.348 1.00 15.00 C ATOM 429 O GLN A 307 0.760 -3.536 1.522 1.00 15.00 O ATOM 430 CB GLN A 307 1.614 -5.281 -0.817 1.00 15.00 C ATOM 431 CG GLN A 307 1.605 -6.132 -2.079 1.00 15.00 C ATOM 432 CD GLN A 307 1.337 -7.603 -1.793 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.264 -8.383 -1.569 1.00 15.00 O ATOM 434 NE2 GLN A 307 0.071 -7.992 -1.789 1.00 15.00 N ATOM 0 H GLN A 307 -0.498 -3.447 -0.785 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.115 -6.273 0.007 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.884 -4.259 -1.084 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.391 -5.652 -0.149 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.844 -5.754 -2.762 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.565 -6.034 -2.586 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -0.670 -7.318 -1.979 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -0.163 -8.966 -1.596 1.00 15.00 H new ATOM 443 N PHE A 308 0.442 -5.595 2.344 1.00 15.00 N ATOM 444 CA PHE A 308 0.691 -5.199 3.732 1.00 15.00 C ATOM 445 C PHE A 308 2.186 -5.158 4.035 1.00 15.00 C ATOM 446 O PHE A 308 2.604 -4.720 5.105 1.00 15.00 O ATOM 447 CB PHE A 308 -0.009 -6.146 4.713 1.00 15.00 C ATOM 448 CG PHE A 308 -1.153 -5.511 5.459 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.221 -4.136 5.621 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.154 -6.291 6.011 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.263 -3.554 6.322 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.199 -5.714 6.705 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.255 -4.348 6.862 1.00 15.00 C ATOM 0 H PHE A 308 0.218 -6.582 2.221 1.00 15.00 H new ATOM 0 HA PHE A 308 0.280 -4.197 3.859 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.381 -7.012 4.165 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.722 -6.514 5.433 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.451 -3.511 5.195 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.117 -7.364 5.898 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.300 -2.482 6.446 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.975 -6.337 7.126 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.073 -3.898 7.406 1.00 15.00 H new ATOM 463 N THR A 309 2.982 -5.662 3.107 1.00 15.00 N ATOM 464 CA THR A 309 4.421 -5.717 3.287 1.00 15.00 C ATOM 465 C THR A 309 5.108 -4.565 2.547 1.00 15.00 C ATOM 466 O THR A 309 4.714 -4.199 1.436 1.00 15.00 O ATOM 467 CB THR A 309 4.978 -7.076 2.808 1.00 15.00 C ATOM 468 OG1 THR A 309 6.382 -7.169 3.084 1.00 15.00 O ATOM 469 CG2 THR A 309 4.728 -7.280 1.319 1.00 15.00 C ATOM 0 H THR A 309 2.653 -6.040 2.218 1.00 15.00 H new ATOM 0 HA THR A 309 4.633 -5.613 4.351 1.00 15.00 H new ATOM 0 HB THR A 309 4.455 -7.860 3.355 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.719 -8.036 2.776 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.131 -8.245 1.011 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.656 -7.255 1.123 1.00 15.00 H new ATOM 0 HG23 THR A 309 5.218 -6.486 0.756 1.00 15.00 H new ATOM 477 N ASP A 310 6.124 -3.989 3.180 1.00 15.00 N ATOM 478 CA ASP A 310 6.852 -2.856 2.614 1.00 15.00 C ATOM 479 C ASP A 310 8.285 -3.270 2.279 1.00 15.00 C ATOM 480 O ASP A 310 9.000 -3.802 3.133 1.00 15.00 O ATOM 481 CB ASP A 310 6.856 -1.693 3.612 1.00 15.00 C ATOM 482 CG ASP A 310 7.411 -0.406 3.032 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.588 -0.384 2.625 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 6.673 0.596 2.992 1.00 15.00 O ATOM 0 H ASP A 310 6.465 -4.290 4.093 1.00 15.00 H new ATOM 0 HA ASP A 310 6.358 -2.534 1.697 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.838 -1.518 3.959 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.446 -1.974 4.484 1.00 15.00 H new ATOM 489 N PRO A 311 8.732 -3.019 1.035 1.00 15.00 N ATOM 490 CA PRO A 311 10.067 -3.417 0.566 1.00 15.00 C ATOM 491 C PRO A 311 11.203 -2.663 1.258 1.00 15.00 C ATOM 492 O PRO A 311 12.364 -3.059 1.167 1.00 15.00 O ATOM 493 CB PRO A 311 10.044 -3.080 -0.926 1.00 15.00 C ATOM 494 CG PRO A 311 9.003 -2.025 -1.061 1.00 15.00 C ATOM 495 CD PRO A 311 7.967 -2.326 -0.015 1.00 15.00 C ATOM 0 HA PRO A 311 10.259 -4.468 0.783 1.00 15.00 H new ATOM 0 HB2 PRO A 311 11.016 -2.723 -1.266 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.799 -3.957 -1.526 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.431 -1.034 -0.912 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.564 -2.036 -2.059 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.501 -1.416 0.362 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.168 -2.953 -0.410 1.00 15.00 H new ATOM 503 N ARG A 312 10.870 -1.574 1.933 1.00 15.00 N ATOM 504 CA ARG A 312 11.873 -0.754 2.598 1.00 15.00 C ATOM 505 C ARG A 312 12.073 -1.221 4.034 1.00 15.00 C ATOM 506 O ARG A 312 12.998 -0.779 4.720 1.00 15.00 O ATOM 507 CB ARG A 312 11.447 0.714 2.591 1.00 15.00 C ATOM 508 CG ARG A 312 11.126 1.253 1.206 1.00 15.00 C ATOM 509 CD ARG A 312 10.345 2.553 1.291 1.00 15.00 C ATOM 510 NE ARG A 312 9.091 2.381 2.024 1.00 15.00 N ATOM 511 CZ ARG A 312 8.417 3.375 2.603 1.00 15.00 C ATOM 512 NH1 ARG A 312 8.847 4.626 2.498 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.301 3.113 3.269 1.00 15.00 N ATOM 0 H ARG A 312 9.913 -1.237 2.035 1.00 15.00 H new ATOM 0 HA ARG A 312 12.813 -0.856 2.056 1.00 15.00 H new ATOM 0 HB2 ARG A 312 10.571 0.831 3.228 1.00 15.00 H new ATOM 0 HB3 ARG A 312 12.243 1.316 3.029 1.00 15.00 H new ATOM 0 HG2 ARG A 312 12.051 1.417 0.653 1.00 15.00 H new ATOM 0 HG3 ARG A 312 10.549 0.514 0.650 1.00 15.00 H new ATOM 0 HD2 ARG A 312 10.953 3.312 1.783 1.00 15.00 H new ATOM 0 HD3 ARG A 312 10.133 2.917 0.286 1.00 15.00 H new ATOM 0 HE ARG A 312 8.707 1.439 2.097 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.697 4.831 1.972 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.328 5.383 2.943 1.00 15.00 H new ATOM 0 HH21 ARG A 312 6.961 2.154 3.337 1.00 15.00 H new ATOM 0 HH22 ARG A 312 6.782 3.871 3.713 1.00 15.00 H new ATOM 527 N LEU A 313 11.194 -2.105 4.489 1.00 15.00 N ATOM 528 CA LEU A 313 11.261 -2.610 5.854 1.00 15.00 C ATOM 529 C LEU A 313 12.068 -3.903 5.930 1.00 15.00 C ATOM 530 O LEU A 313 12.429 -4.354 7.017 1.00 15.00 O ATOM 531 CB LEU A 313 9.858 -2.832 6.424 1.00 15.00 C ATOM 532 CG LEU A 313 9.013 -1.564 6.592 1.00 15.00 C ATOM 533 CD1 LEU A 313 7.650 -1.905 7.175 1.00 15.00 C ATOM 534 CD2 LEU A 313 9.732 -0.552 7.474 1.00 15.00 C ATOM 0 H LEU A 313 10.428 -2.486 3.934 1.00 15.00 H new ATOM 0 HA LEU A 313 11.768 -1.855 6.455 1.00 15.00 H new ATOM 0 HB2 LEU A 313 9.323 -3.522 5.771 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.951 -3.319 7.395 1.00 15.00 H new ATOM 0 HG LEU A 313 8.866 -1.118 5.608 1.00 15.00 H new ATOM 0 HD11 LEU A 313 7.064 -0.993 7.287 1.00 15.00 H new ATOM 0 HD12 LEU A 313 7.130 -2.591 6.506 1.00 15.00 H new ATOM 0 HD13 LEU A 313 7.779 -2.376 8.150 1.00 15.00 H new ATOM 0 HD21 LEU A 313 9.116 0.341 7.581 1.00 15.00 H new ATOM 0 HD22 LEU A 313 9.912 -0.988 8.457 1.00 15.00 H new ATOM 0 HD23 LEU A 313 10.684 -0.283 7.017 1.00 15.00 H new ATOM 546 N HIS A 314 12.322 -4.519 4.783 1.00 15.00 N ATOM 547 CA HIS A 314 13.176 -5.698 4.745 1.00 15.00 C ATOM 548 C HIS A 314 14.383 -5.443 3.842 1.00 15.00 C ATOM 549 O HIS A 314 14.272 -5.609 2.612 1.00 15.00 O ATOM 550 CB HIS A 314 12.399 -6.968 4.329 1.00 15.00 C ATOM 551 CG HIS A 314 11.841 -6.968 2.937 1.00 15.00 C ATOM 552 ND1 HIS A 314 12.395 -7.701 1.910 1.00 15.00 N ATOM 553 CD2 HIS A 314 10.766 -6.341 2.409 1.00 15.00 C ATOM 554 CE1 HIS A 314 11.688 -7.522 0.812 1.00 15.00 C ATOM 555 NE2 HIS A 314 10.691 -6.702 1.087 1.00 15.00 N ATOM 556 OXT HIS A 314 15.437 -5.043 4.369 1.00 15.00 O ATOM 0 H HIS A 314 11.954 -4.227 3.878 1.00 15.00 H new ATOM 0 HA HIS A 314 13.539 -5.886 5.755 1.00 15.00 H new ATOM 0 HB2 HIS A 314 13.062 -7.827 4.434 1.00 15.00 H new ATOM 0 HB3 HIS A 314 11.576 -7.113 5.029 1.00 15.00 H new ATOM 0 HD1 HIS A 314 13.224 -8.291 1.987 1.00 15.00 H new ATOM 0 HD2 HIS A 314 10.091 -5.679 2.931 1.00 15.00 H new ATOM 0 HE1 HIS A 314 11.890 -7.970 -0.150 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 0.196 -13.451 3.718 1.00 15.00 N ATOM 567 CA GLU B 203 0.614 -12.540 4.811 1.00 15.00 C ATOM 568 C GLU B 203 0.154 -13.052 6.173 1.00 15.00 C ATOM 569 O GLU B 203 0.830 -12.832 7.173 1.00 15.00 O ATOM 570 CB GLU B 203 0.073 -11.124 4.573 1.00 15.00 C ATOM 571 CG GLU B 203 0.945 -10.263 3.666 1.00 15.00 C ATOM 572 CD GLU B 203 1.389 -10.982 2.407 1.00 15.00 C ATOM 573 OE1 GLU B 203 0.533 -11.584 1.730 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 2.599 -10.968 2.108 1.00 15.00 O ATOM 0 HA GLU B 203 1.704 -12.509 4.811 1.00 15.00 H new ATOM 0 HB2 GLU B 203 -0.923 -11.197 4.137 1.00 15.00 H new ATOM 0 HB3 GLU B 203 -0.036 -10.623 5.535 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.393 -9.365 3.388 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.825 -9.938 4.221 1.00 15.00 H new ATOM 583 N LEU B 204 -1.022 -13.699 6.209 1.00 15.00 N ATOM 584 CA LEU B 204 -1.599 -14.234 7.453 1.00 15.00 C ATOM 585 C LEU B 204 -1.983 -13.105 8.412 1.00 15.00 C ATOM 586 O LEU B 204 -2.340 -13.343 9.568 1.00 15.00 O ATOM 587 CB LEU B 204 -0.629 -15.211 8.142 1.00 15.00 C ATOM 588 CG LEU B 204 -0.646 -16.658 7.623 1.00 15.00 C ATOM 589 CD1 LEU B 204 -2.032 -17.267 7.776 1.00 15.00 C ATOM 590 CD2 LEU B 204 -0.191 -16.732 6.172 1.00 15.00 C ATOM 0 H LEU B 204 -1.596 -13.865 5.383 1.00 15.00 H new ATOM 0 HA LEU B 204 -2.503 -14.781 7.184 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.383 -14.821 8.037 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.856 -15.226 9.208 1.00 15.00 H new ATOM 0 HG LEU B 204 0.057 -17.234 8.225 1.00 15.00 H new ATOM 0 HD11 LEU B 204 -2.023 -18.291 7.403 1.00 15.00 H new ATOM 0 HD12 LEU B 204 -2.315 -17.267 8.829 1.00 15.00 H new ATOM 0 HD13 LEU B 204 -2.752 -16.680 7.206 1.00 15.00 H new ATOM 0 HD21 LEU B 204 -0.215 -17.769 5.836 1.00 15.00 H new ATOM 0 HD22 LEU B 204 -0.857 -16.134 5.551 1.00 15.00 H new ATOM 0 HD23 LEU B 204 0.825 -16.347 6.089 1.00 15.00 H new ATOM 602 N GLU B 205 -1.954 -11.882 7.904 1.00 15.00 N ATOM 603 CA GLU B 205 -2.233 -10.702 8.707 1.00 15.00 C ATOM 604 C GLU B 205 -3.720 -10.372 8.676 1.00 15.00 C ATOM 605 O GLU B 205 -4.502 -11.053 8.003 1.00 15.00 O ATOM 606 CB GLU B 205 -1.430 -9.509 8.172 1.00 15.00 C ATOM 607 CG GLU B 205 0.065 -9.769 8.057 1.00 15.00 C ATOM 608 CD GLU B 205 0.753 -9.905 9.402 1.00 15.00 C ATOM 609 OE1 GLU B 205 0.303 -10.717 10.234 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 1.738 -9.172 9.643 1.00 15.00 O ATOM 0 H GLU B 205 -1.737 -11.680 6.928 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.941 -10.906 9.737 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.817 -9.235 7.191 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -1.590 -8.653 8.828 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.226 -10.680 7.480 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.527 -8.954 7.500 1.00 15.00 H new ATOM 617 N SER B 206 -4.099 -9.340 9.416 1.00 15.00 N ATOM 618 CA SER B 206 -5.448 -8.800 9.360 1.00 15.00 C ATOM 619 C SER B 206 -5.772 -8.407 7.919 1.00 15.00 C ATOM 620 O SER B 206 -4.870 -8.042 7.167 1.00 15.00 O ATOM 621 CB SER B 206 -5.529 -7.579 10.278 1.00 15.00 C ATOM 622 OG SER B 206 -4.950 -7.863 11.544 1.00 15.00 O ATOM 0 H SER B 206 -3.483 -8.856 10.069 1.00 15.00 H new ATOM 0 HA SER B 206 -6.171 -9.546 9.692 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.013 -6.737 9.817 1.00 15.00 H new ATOM 0 HB3 SER B 206 -6.570 -7.283 10.407 1.00 15.00 H new ATOM 0 HG SER B 206 -5.010 -7.070 12.116 1.00 15.00 H new ATOM 628 N PRO B 207 -7.047 -8.483 7.505 1.00 15.00 N ATOM 629 CA PRO B 207 -7.439 -8.175 6.126 1.00 15.00 C ATOM 630 C PRO B 207 -7.010 -6.773 5.690 1.00 15.00 C ATOM 631 O PRO B 207 -7.396 -5.774 6.301 1.00 15.00 O ATOM 632 CB PRO B 207 -8.970 -8.288 6.141 1.00 15.00 C ATOM 633 CG PRO B 207 -9.356 -8.269 7.584 1.00 15.00 C ATOM 634 CD PRO B 207 -8.199 -8.866 8.331 1.00 15.00 C ATOM 0 HA PRO B 207 -6.960 -8.850 5.417 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.430 -7.461 5.600 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.301 -9.208 5.658 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.555 -7.252 7.921 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.267 -8.844 7.752 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.122 -8.468 9.343 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.291 -9.948 8.421 1.00 15.00 H new ATOM 642 N PRO B 208 -6.179 -6.696 4.637 1.00 15.00 N ATOM 643 CA PRO B 208 -5.731 -5.424 4.056 1.00 15.00 C ATOM 644 C PRO B 208 -6.899 -4.551 3.590 1.00 15.00 C ATOM 645 O PRO B 208 -7.952 -5.064 3.205 1.00 15.00 O ATOM 646 CB PRO B 208 -4.886 -5.856 2.852 1.00 15.00 C ATOM 647 CG PRO B 208 -4.457 -7.246 3.160 1.00 15.00 C ATOM 648 CD PRO B 208 -5.572 -7.853 3.960 1.00 15.00 C ATOM 0 HA PRO B 208 -5.190 -4.819 4.783 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.465 -5.817 1.929 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.027 -5.199 2.717 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.280 -7.812 2.245 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.524 -7.251 3.724 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.291 -8.367 3.321 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.200 -8.587 4.675 1.00 15.00 H new ATOM 656 N PRO B 209 -6.703 -3.223 3.581 1.00 15.00 N ATOM 657 CA PRO B 209 -7.735 -2.258 3.196 1.00 15.00 C ATOM 658 C PRO B 209 -7.981 -2.286 1.686 1.00 15.00 C ATOM 659 O PRO B 209 -7.044 -2.140 0.899 1.00 15.00 O ATOM 660 CB PRO B 209 -7.140 -0.900 3.638 1.00 15.00 C ATOM 661 CG PRO B 209 -5.945 -1.243 4.463 1.00 15.00 C ATOM 662 CD PRO B 209 -5.452 -2.546 3.920 1.00 15.00 C ATOM 0 HA PRO B 209 -8.702 -2.467 3.653 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.862 -0.293 2.776 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.863 -0.323 4.214 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.180 -0.470 4.387 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.207 -1.330 5.518 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.812 -2.409 3.048 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.873 -3.103 4.657 1.00 15.00 H new ATOM 670 N PRO B 210 -9.244 -2.499 1.272 1.00 15.00 N ATOM 671 CA PRO B 210 -9.622 -2.604 -0.147 1.00 15.00 C ATOM 672 C PRO B 210 -9.112 -1.432 -0.981 1.00 15.00 C ATOM 673 O PRO B 210 -9.212 -0.274 -0.568 1.00 15.00 O ATOM 674 CB PRO B 210 -11.151 -2.598 -0.106 1.00 15.00 C ATOM 675 CG PRO B 210 -11.497 -3.126 1.242 1.00 15.00 C ATOM 676 CD PRO B 210 -10.408 -2.650 2.164 1.00 15.00 C ATOM 0 HA PRO B 210 -9.192 -3.490 -0.614 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.547 -1.593 -0.251 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.570 -3.222 -0.895 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.471 -2.760 1.567 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.553 -4.215 1.233 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.671 -1.707 2.643 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.213 -3.369 2.960 1.00 15.00 H new ATOM 684 N TYR B 211 -8.583 -1.736 -2.164 1.00 15.00 N ATOM 685 CA TYR B 211 -7.995 -0.711 -3.017 1.00 15.00 C ATOM 686 C TYR B 211 -9.053 0.237 -3.572 1.00 15.00 C ATOM 687 O TYR B 211 -9.786 -0.103 -4.499 1.00 15.00 O ATOM 688 CB TYR B 211 -7.187 -1.322 -4.180 1.00 15.00 C ATOM 689 CG TYR B 211 -6.470 -0.277 -5.019 1.00 15.00 C ATOM 690 CD1 TYR B 211 -6.020 0.896 -4.430 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.227 -0.455 -6.381 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.354 1.857 -5.158 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.560 0.516 -7.116 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.130 1.663 -6.495 1.00 15.00 C ATOM 695 OH TYR B 211 -4.456 2.616 -7.209 1.00 15.00 O ATOM 0 H TYR B 211 -8.550 -2.679 -2.551 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.314 -0.143 -2.384 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.455 -2.022 -3.778 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.858 -1.895 -4.820 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -6.196 1.059 -3.377 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.561 -1.358 -6.869 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.010 2.760 -4.676 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.380 0.370 -8.171 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.938 2.802 -8.042 1.00 15.00 H new ATOM 705 N SER B 212 -9.153 1.401 -2.957 1.00 15.00 N ATOM 706 CA SER B 212 -9.856 2.520 -3.551 1.00 15.00 C ATOM 707 C SER B 212 -8.848 3.262 -4.415 1.00 15.00 C ATOM 708 O SER B 212 -7.691 3.390 -4.015 1.00 15.00 O ATOM 709 CB SER B 212 -10.421 3.436 -2.457 1.00 15.00 C ATOM 710 OG SER B 212 -11.192 4.491 -3.011 1.00 15.00 O ATOM 0 H SER B 212 -8.752 1.595 -2.039 1.00 15.00 H new ATOM 0 HA SER B 212 -10.700 2.182 -4.152 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.038 2.852 -1.775 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.602 3.852 -1.870 1.00 15.00 H new ATOM 0 HG SER B 212 -11.540 5.056 -2.290 1.00 15.00 H new ATOM 716 N ARG B 213 -9.271 3.773 -5.564 1.00 15.00 N ATOM 717 CA ARG B 213 -8.323 4.296 -6.544 1.00 15.00 C ATOM 718 C ARG B 213 -7.491 5.426 -5.961 1.00 15.00 C ATOM 719 O ARG B 213 -6.288 5.505 -6.199 1.00 15.00 O ATOM 720 CB ARG B 213 -9.040 4.806 -7.793 1.00 15.00 C ATOM 721 CG ARG B 213 -9.784 3.740 -8.576 1.00 15.00 C ATOM 722 CD ARG B 213 -10.469 4.342 -9.791 1.00 15.00 C ATOM 723 NE ARG B 213 -11.405 5.403 -9.419 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.971 6.244 -10.285 1.00 15.00 C ATOM 725 NH1 ARG B 213 -11.685 6.169 -11.579 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.814 7.171 -9.849 1.00 15.00 N ATOM 0 H ARG B 213 -10.251 3.837 -5.840 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.667 3.469 -6.817 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.747 5.581 -7.498 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.308 5.275 -8.450 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.088 2.963 -8.893 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.525 3.262 -7.935 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.717 4.743 -10.470 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -11.002 3.560 -10.332 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.640 5.506 -8.432 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -11.029 5.465 -11.916 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -12.122 6.816 -12.236 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.027 7.239 -8.854 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.249 7.816 -10.509 1.00 15.00 H new ATOM 740 N TYR B 214 -8.133 6.317 -5.228 1.00 15.00 N ATOM 741 CA TYR B 214 -7.418 7.396 -4.574 1.00 15.00 C ATOM 742 C TYR B 214 -7.614 7.341 -3.068 1.00 15.00 C ATOM 743 O TYR B 214 -8.693 7.645 -2.563 1.00 15.00 O ATOM 744 CB TYR B 214 -7.846 8.755 -5.135 1.00 15.00 C ATOM 745 CG TYR B 214 -7.209 9.071 -6.470 1.00 15.00 C ATOM 746 CD1 TYR B 214 -7.455 8.280 -7.585 1.00 15.00 C ATOM 747 CD2 TYR B 214 -6.348 10.150 -6.611 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.861 8.551 -8.799 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.753 10.432 -7.825 1.00 15.00 C ATOM 750 CZ TYR B 214 -6.011 9.629 -8.916 1.00 15.00 C ATOM 751 OH TYR B 214 -5.415 9.904 -10.125 1.00 15.00 O ATOM 0 H TYR B 214 -9.141 6.315 -5.072 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.355 7.269 -4.779 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.930 8.772 -5.243 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.585 9.535 -4.420 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -8.124 7.437 -7.499 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.140 10.779 -5.758 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -7.061 7.922 -9.654 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.088 11.278 -7.920 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.847 10.698 -10.037 1.00 15.00 H new ATOM 761 N PRO B 215 -6.568 6.934 -2.331 1.00 15.00 N ATOM 762 CA PRO B 215 -6.588 6.887 -0.879 1.00 15.00 C ATOM 763 C PRO B 215 -6.034 8.182 -0.306 1.00 15.00 C ATOM 764 O PRO B 215 -5.548 8.234 0.822 1.00 15.00 O ATOM 765 CB PRO B 215 -5.652 5.715 -0.598 1.00 15.00 C ATOM 766 CG PRO B 215 -4.606 5.814 -1.661 1.00 15.00 C ATOM 767 CD PRO B 215 -5.259 6.486 -2.853 1.00 15.00 C ATOM 0 HA PRO B 215 -7.579 6.771 -0.441 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.215 5.785 0.398 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.181 4.763 -0.648 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.751 6.393 -1.310 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.233 4.826 -1.930 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.664 7.325 -3.215 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.376 5.795 -3.688 1.00 15.00 H new ATOM 775 N MET B 216 -6.127 9.233 -1.108 1.00 15.00 N ATOM 776 CA MET B 216 -5.525 10.509 -0.776 1.00 15.00 C ATOM 777 C MET B 216 -6.403 11.308 0.176 1.00 15.00 C ATOM 778 O MET B 216 -7.307 12.029 -0.247 1.00 15.00 O ATOM 779 CB MET B 216 -5.248 11.310 -2.053 1.00 15.00 C ATOM 780 CG MET B 216 -4.511 12.622 -1.817 1.00 15.00 C ATOM 781 SD MET B 216 -4.134 13.490 -3.355 1.00 15.00 S ATOM 782 CE MET B 216 -3.115 12.272 -4.191 1.00 15.00 C ATOM 0 H MET B 216 -6.620 9.222 -2.001 1.00 15.00 H new ATOM 0 HA MET B 216 -4.581 10.314 -0.268 1.00 15.00 H new ATOM 0 HB2 MET B 216 -4.662 10.694 -2.735 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.195 11.522 -2.549 1.00 15.00 H new ATOM 0 HG2 MET B 216 -5.117 13.266 -1.179 1.00 15.00 H new ATOM 0 HG3 MET B 216 -3.584 12.423 -1.279 1.00 15.00 H new ATOM 0 HE1 MET B 216 -2.483 12.770 -4.926 1.00 15.00 H new ATOM 0 HE2 MET B 216 -2.488 11.759 -3.461 1.00 15.00 H new ATOM 0 HE3 MET B 216 -3.754 11.546 -4.694 1.00 15.00 H new ATOM 792 N ASP B 217 -6.169 11.113 1.459 1.00 15.00 N ATOM 793 CA ASP B 217 -6.792 11.924 2.488 1.00 15.00 C ATOM 794 C ASP B 217 -5.892 13.106 2.792 1.00 15.00 C ATOM 795 O ASP B 217 -4.800 12.882 3.358 1.00 15.00 O ATOM 796 CB ASP B 217 -7.030 11.108 3.761 1.00 15.00 C ATOM 797 CG ASP B 217 -7.969 9.942 3.540 1.00 15.00 C ATOM 798 OD1 ASP B 217 -9.200 10.145 3.590 1.00 15.00 O ATOM 799 OD2 ASP B 217 -7.482 8.811 3.319 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -6.253 14.247 2.437 1.00 15.00 O ATOM 0 H ASP B 217 -5.544 10.391 1.817 1.00 15.00 H new ATOM 0 HA ASP B 217 -7.760 12.273 2.128 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -6.075 10.735 4.132 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -7.440 11.759 4.533 1.00 15.00 H new TER 805 ASP B 217