USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=13 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 HE2:sc= -0.757! C(o=-0.11!,f=-10!) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= 0.644 USER MOD Set 2.1: A 309 THR OG1 : rot 66:sc= 1.13 USER MOD Set 2.2: A 314 HIS : no HD1:sc= -0.147 K(o=0.98,f=0.038) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -140:sc= -0.456 USER MOD Single : A 293 SER OG : rot -170:sc= 0.00731 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 303 ASN : amide:sc= 0.91 K(o=0.91,f=-0.06) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -153:sc= 0.581 USER MOD Single : A 307 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : B 206 SER OG : rot 180:sc= 0.00545 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 -161:sc= 0 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 12.006 9.659 -6.234 1.00 15.00 N ATOM 2 CA GLY A 280 13.230 9.809 -5.410 1.00 15.00 C ATOM 3 C GLY A 280 13.556 8.542 -4.653 1.00 15.00 C ATOM 4 O GLY A 280 13.651 7.473 -5.256 1.00 15.00 O ATOM 0 HA2 GLY A 280 14.070 10.075 -6.052 1.00 15.00 H new ATOM 0 HA3 GLY A 280 13.095 10.629 -4.705 1.00 15.00 H new ATOM 10 N PRO A 281 13.722 8.622 -3.318 1.00 15.00 N ATOM 11 CA PRO A 281 13.959 7.442 -2.476 1.00 15.00 C ATOM 12 C PRO A 281 12.717 6.555 -2.383 1.00 15.00 C ATOM 13 O PRO A 281 12.732 5.493 -1.759 1.00 15.00 O ATOM 14 CB PRO A 281 14.305 8.038 -1.110 1.00 15.00 C ATOM 15 CG PRO A 281 13.664 9.384 -1.108 1.00 15.00 C ATOM 16 CD PRO A 281 13.711 9.869 -2.530 1.00 15.00 C ATOM 0 HA PRO A 281 14.743 6.799 -2.875 1.00 15.00 H new ATOM 0 HB2 PRO A 281 13.923 7.417 -0.299 1.00 15.00 H new ATOM 0 HB3 PRO A 281 15.384 8.113 -0.973 1.00 15.00 H new ATOM 0 HG2 PRO A 281 12.636 9.326 -0.750 1.00 15.00 H new ATOM 0 HG3 PRO A 281 14.195 10.068 -0.445 1.00 15.00 H new ATOM 0 HD2 PRO A 281 12.848 10.489 -2.772 1.00 15.00 H new ATOM 0 HD3 PRO A 281 14.599 10.472 -2.720 1.00 15.00 H new ATOM 24 N LEU A 282 11.639 7.026 -2.989 1.00 15.00 N ATOM 25 CA LEU A 282 10.405 6.272 -3.085 1.00 15.00 C ATOM 26 C LEU A 282 9.915 6.349 -4.530 1.00 15.00 C ATOM 27 O LEU A 282 9.722 7.445 -5.061 1.00 15.00 O ATOM 28 CB LEU A 282 9.367 6.852 -2.108 1.00 15.00 C ATOM 29 CG LEU A 282 8.230 5.912 -1.675 1.00 15.00 C ATOM 30 CD1 LEU A 282 7.260 5.652 -2.814 1.00 15.00 C ATOM 31 CD2 LEU A 282 8.793 4.601 -1.146 1.00 15.00 C ATOM 0 H LEU A 282 11.598 7.945 -3.429 1.00 15.00 H new ATOM 0 HA LEU A 282 10.563 5.228 -2.815 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.891 7.187 -1.213 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.923 7.735 -2.567 1.00 15.00 H new ATOM 0 HG LEU A 282 7.679 6.405 -0.874 1.00 15.00 H new ATOM 0 HD11 LEU A 282 6.469 4.984 -2.473 1.00 15.00 H new ATOM 0 HD12 LEU A 282 6.822 6.595 -3.142 1.00 15.00 H new ATOM 0 HD13 LEU A 282 7.791 5.190 -3.646 1.00 15.00 H new ATOM 0 HD21 LEU A 282 7.974 3.949 -0.844 1.00 15.00 H new ATOM 0 HD22 LEU A 282 9.376 4.114 -1.927 1.00 15.00 H new ATOM 0 HD23 LEU A 282 9.433 4.800 -0.287 1.00 15.00 H new ATOM 43 N PRO A 283 9.766 5.192 -5.198 1.00 15.00 N ATOM 44 CA PRO A 283 9.309 5.128 -6.592 1.00 15.00 C ATOM 45 C PRO A 283 7.948 5.798 -6.790 1.00 15.00 C ATOM 46 O PRO A 283 7.004 5.534 -6.048 1.00 15.00 O ATOM 47 CB PRO A 283 9.216 3.622 -6.883 1.00 15.00 C ATOM 48 CG PRO A 283 9.249 2.954 -5.550 1.00 15.00 C ATOM 49 CD PRO A 283 10.042 3.856 -4.653 1.00 15.00 C ATOM 0 HA PRO A 283 9.987 5.657 -7.261 1.00 15.00 H new ATOM 0 HB2 PRO A 283 8.298 3.382 -7.419 1.00 15.00 H new ATOM 0 HB3 PRO A 283 10.046 3.291 -7.508 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.241 2.807 -5.163 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.711 1.969 -5.619 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.725 3.771 -3.614 1.00 15.00 H new ATOM 0 HD3 PRO A 283 11.106 3.620 -4.682 1.00 15.00 H new ATOM 57 N PRO A 284 7.826 6.651 -7.824 1.00 15.00 N ATOM 58 CA PRO A 284 6.601 7.425 -8.083 1.00 15.00 C ATOM 59 C PRO A 284 5.420 6.557 -8.526 1.00 15.00 C ATOM 60 O PRO A 284 4.335 7.065 -8.808 1.00 15.00 O ATOM 61 CB PRO A 284 7.013 8.379 -9.206 1.00 15.00 C ATOM 62 CG PRO A 284 8.143 7.696 -9.892 1.00 15.00 C ATOM 63 CD PRO A 284 8.873 6.928 -8.825 1.00 15.00 C ATOM 0 HA PRO A 284 6.249 7.925 -7.180 1.00 15.00 H new ATOM 0 HB2 PRO A 284 6.186 8.562 -9.892 1.00 15.00 H new ATOM 0 HB3 PRO A 284 7.318 9.347 -8.810 1.00 15.00 H new ATOM 0 HG2 PRO A 284 7.779 7.029 -10.673 1.00 15.00 H new ATOM 0 HG3 PRO A 284 8.802 8.419 -10.372 1.00 15.00 H new ATOM 0 HD2 PRO A 284 9.306 6.008 -9.218 1.00 15.00 H new ATOM 0 HD3 PRO A 284 9.691 7.510 -8.400 1.00 15.00 H new ATOM 71 N GLY A 285 5.645 5.254 -8.616 1.00 15.00 N ATOM 72 CA GLY A 285 4.569 4.330 -8.914 1.00 15.00 C ATOM 73 C GLY A 285 3.942 3.779 -7.649 1.00 15.00 C ATOM 74 O GLY A 285 2.852 3.205 -7.681 1.00 15.00 O ATOM 0 H GLY A 285 6.558 4.818 -8.487 1.00 15.00 H new ATOM 0 HA2 GLY A 285 3.808 4.836 -9.508 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.951 3.508 -9.519 1.00 15.00 H new ATOM 78 N TRP A 286 4.638 3.962 -6.535 1.00 15.00 N ATOM 79 CA TRP A 286 4.198 3.440 -5.249 1.00 15.00 C ATOM 80 C TRP A 286 3.431 4.495 -4.462 1.00 15.00 C ATOM 81 O TRP A 286 4.006 5.491 -4.022 1.00 15.00 O ATOM 82 CB TRP A 286 5.407 2.930 -4.447 1.00 15.00 C ATOM 83 CG TRP A 286 5.794 1.541 -4.838 1.00 15.00 C ATOM 84 CD1 TRP A 286 6.151 1.113 -6.084 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.834 0.389 -3.990 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.381 -0.240 -6.071 1.00 15.00 N ATOM 87 CE2 TRP A 286 6.190 -0.709 -4.800 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.593 0.167 -2.629 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.300 -2.002 -4.300 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.697 -1.116 -2.143 1.00 15.00 C ATOM 91 CH2 TRP A 286 6.040 -2.188 -2.972 1.00 15.00 C ATOM 0 H TRP A 286 5.519 4.474 -6.497 1.00 15.00 H new ATOM 0 HA TRP A 286 3.520 2.606 -5.429 1.00 15.00 H new ATOM 0 HB2 TRP A 286 6.253 3.599 -4.602 1.00 15.00 H new ATOM 0 HB3 TRP A 286 5.172 2.955 -3.383 1.00 15.00 H new ATOM 0 HD1 TRP A 286 6.240 1.747 -6.954 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.650 -0.804 -6.877 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.331 0.985 -1.975 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.580 -2.828 -4.937 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.509 -1.299 -1.095 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.101 -3.182 -2.555 1.00 15.00 H new ATOM 102 N GLU A 287 2.125 4.285 -4.304 1.00 15.00 N ATOM 103 CA GLU A 287 1.303 5.203 -3.535 1.00 15.00 C ATOM 104 C GLU A 287 1.278 4.751 -2.076 1.00 15.00 C ATOM 105 O GLU A 287 0.761 3.677 -1.749 1.00 15.00 O ATOM 106 CB GLU A 287 -0.101 5.266 -4.143 1.00 15.00 C ATOM 107 CG GLU A 287 -1.133 6.004 -3.301 1.00 15.00 C ATOM 108 CD GLU A 287 -0.891 7.497 -3.231 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.406 8.226 -4.102 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.203 7.952 -2.296 1.00 15.00 O ATOM 0 H GLU A 287 1.621 3.491 -4.698 1.00 15.00 H new ATOM 0 HA GLU A 287 1.720 6.210 -3.567 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.037 5.749 -5.118 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.453 4.249 -4.313 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.125 5.823 -3.714 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.128 5.594 -2.291 1.00 15.00 H new ATOM 117 N VAL A 288 1.863 5.568 -1.211 1.00 15.00 N ATOM 118 CA VAL A 288 2.105 5.186 0.172 1.00 15.00 C ATOM 119 C VAL A 288 1.068 5.793 1.123 1.00 15.00 C ATOM 120 O VAL A 288 0.971 7.012 1.272 1.00 15.00 O ATOM 121 CB VAL A 288 3.542 5.582 0.603 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.822 7.052 0.320 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.778 5.266 2.070 1.00 15.00 C ATOM 0 H VAL A 288 2.181 6.508 -1.447 1.00 15.00 H new ATOM 0 HA VAL A 288 2.006 4.102 0.234 1.00 15.00 H new ATOM 0 HB VAL A 288 4.236 4.988 0.009 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.837 7.296 0.634 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.716 7.243 -0.748 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.113 7.670 0.871 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.793 5.553 2.345 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.065 5.820 2.681 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.646 4.197 2.238 1.00 15.00 H new ATOM 133 N ARG A 289 0.290 4.927 1.760 1.00 15.00 N ATOM 134 CA ARG A 289 -0.754 5.354 2.685 1.00 15.00 C ATOM 135 C ARG A 289 -0.671 4.547 3.978 1.00 15.00 C ATOM 136 O ARG A 289 -0.282 3.381 3.961 1.00 15.00 O ATOM 137 CB ARG A 289 -2.128 5.184 2.028 1.00 15.00 C ATOM 138 CG ARG A 289 -2.334 6.072 0.812 1.00 15.00 C ATOM 139 CD ARG A 289 -2.198 7.551 1.154 1.00 15.00 C ATOM 140 NE ARG A 289 -1.909 8.355 -0.034 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.055 9.677 -0.115 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.478 10.385 0.930 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -1.752 10.299 -1.246 1.00 15.00 N ATOM 0 H ARG A 289 0.363 3.915 1.652 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.611 6.407 2.929 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.254 4.142 1.733 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.903 5.403 2.763 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.606 5.809 0.044 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.322 5.887 0.391 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.119 7.904 1.617 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.402 7.684 1.886 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.570 7.866 -0.863 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.696 9.916 1.809 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.584 11.396 0.851 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.410 9.766 -2.046 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.861 11.311 -1.317 1.00 15.00 H new ATOM 157 N SER A 290 -1.041 5.158 5.096 1.00 15.00 N ATOM 158 CA SER A 290 -0.935 4.499 6.396 1.00 15.00 C ATOM 159 C SER A 290 -2.292 4.429 7.100 1.00 15.00 C ATOM 160 O SER A 290 -3.141 5.306 6.925 1.00 15.00 O ATOM 161 CB SER A 290 0.065 5.253 7.270 1.00 15.00 C ATOM 162 OG SER A 290 1.287 5.454 6.581 1.00 15.00 O ATOM 0 H SER A 290 -1.416 6.106 5.132 1.00 15.00 H new ATOM 0 HA SER A 290 -0.589 3.478 6.234 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.355 6.215 7.563 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.248 4.693 8.187 1.00 15.00 H new ATOM 0 HG SER A 290 1.912 5.940 7.158 1.00 15.00 H new ATOM 168 N THR A 291 -2.481 3.389 7.907 1.00 15.00 N ATOM 169 CA THR A 291 -3.703 3.224 8.685 1.00 15.00 C ATOM 170 C THR A 291 -3.456 3.540 10.157 1.00 15.00 C ATOM 171 O THR A 291 -2.350 3.325 10.668 1.00 15.00 O ATOM 172 CB THR A 291 -4.264 1.791 8.577 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.211 0.830 8.739 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.962 1.571 7.247 1.00 15.00 C ATOM 0 H THR A 291 -1.798 2.643 8.039 1.00 15.00 H new ATOM 0 HA THR A 291 -4.432 3.921 8.271 1.00 15.00 H new ATOM 0 HB THR A 291 -4.997 1.660 9.373 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.342 0.091 8.109 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.346 0.552 7.202 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.788 2.275 7.149 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.253 1.728 6.434 1.00 15.00 H new ATOM 182 N VAL A 292 -4.495 4.026 10.834 1.00 15.00 N ATOM 183 CA VAL A 292 -4.417 4.367 12.257 1.00 15.00 C ATOM 184 C VAL A 292 -4.118 3.135 13.112 1.00 15.00 C ATOM 185 O VAL A 292 -3.734 3.253 14.272 1.00 15.00 O ATOM 186 CB VAL A 292 -5.726 5.024 12.753 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.936 6.369 12.075 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.920 4.109 12.507 1.00 15.00 C ATOM 0 H VAL A 292 -5.410 4.194 10.416 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.599 5.080 12.363 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.639 5.187 13.827 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.862 6.818 12.436 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -5.099 7.028 12.307 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.998 6.227 10.996 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.829 4.593 12.864 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -7.011 3.909 11.439 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.775 3.170 13.041 1.00 15.00 H new ATOM 198 N SER A 293 -4.289 1.959 12.517 1.00 15.00 N ATOM 199 CA SER A 293 -3.980 0.694 13.170 1.00 15.00 C ATOM 200 C SER A 293 -2.485 0.585 13.483 1.00 15.00 C ATOM 201 O SER A 293 -2.057 -0.291 14.239 1.00 15.00 O ATOM 202 CB SER A 293 -4.400 -0.461 12.264 1.00 15.00 C ATOM 203 OG SER A 293 -5.669 -0.212 11.686 1.00 15.00 O ATOM 0 H SER A 293 -4.646 1.857 11.567 1.00 15.00 H new ATOM 0 HA SER A 293 -4.529 0.648 14.110 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.658 -0.600 11.477 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.433 -1.387 12.839 1.00 15.00 H new ATOM 0 HG SER A 293 -5.990 -1.023 11.239 1.00 15.00 H new ATOM 209 N GLY A 294 -1.699 1.456 12.864 1.00 15.00 N ATOM 210 CA GLY A 294 -0.262 1.391 13.000 1.00 15.00 C ATOM 211 C GLY A 294 0.343 0.517 11.928 1.00 15.00 C ATOM 212 O GLY A 294 1.308 -0.205 12.167 1.00 15.00 O ATOM 0 H GLY A 294 -2.037 2.211 12.267 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.159 2.395 12.937 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.003 0.998 13.983 1.00 15.00 H new ATOM 216 N ARG A 295 -0.239 0.583 10.740 1.00 15.00 N ATOM 217 CA ARG A 295 0.209 -0.239 9.626 1.00 15.00 C ATOM 218 C ARG A 295 0.356 0.594 8.368 1.00 15.00 C ATOM 219 O ARG A 295 -0.518 1.402 8.038 1.00 15.00 O ATOM 220 CB ARG A 295 -0.777 -1.381 9.350 1.00 15.00 C ATOM 221 CG ARG A 295 -0.836 -2.431 10.444 1.00 15.00 C ATOM 222 CD ARG A 295 -1.768 -3.574 10.072 1.00 15.00 C ATOM 223 NE ARG A 295 -3.160 -3.134 9.994 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.202 -3.961 9.993 1.00 15.00 C ATOM 225 NH1 ARG A 295 -4.013 -5.278 10.070 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.433 -3.469 9.929 1.00 15.00 N ATOM 0 H ARG A 295 -1.023 1.198 10.522 1.00 15.00 H new ATOM 0 HA ARG A 295 1.176 -0.658 9.903 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.773 -0.960 9.212 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.502 -1.864 8.413 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.165 -2.822 10.629 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.175 -1.972 11.372 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.465 -3.993 9.113 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.679 -4.371 10.810 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.343 -2.132 9.937 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -3.067 -5.655 10.130 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.814 -5.909 10.069 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.577 -2.460 9.881 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.235 -4.099 9.928 1.00 15.00 H new ATOM 240 N ILE A 296 1.433 0.359 7.649 1.00 15.00 N ATOM 241 CA ILE A 296 1.630 0.972 6.353 1.00 15.00 C ATOM 242 C ILE A 296 1.016 0.053 5.306 1.00 15.00 C ATOM 243 O ILE A 296 1.036 -1.167 5.471 1.00 15.00 O ATOM 244 CB ILE A 296 3.135 1.201 6.062 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.337 1.948 4.742 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.894 -0.118 6.041 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.825 3.368 4.773 1.00 15.00 C ATOM 0 H ILE A 296 2.191 -0.257 7.943 1.00 15.00 H new ATOM 0 HA ILE A 296 1.150 1.950 6.331 1.00 15.00 H new ATOM 0 HB ILE A 296 3.533 1.817 6.868 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.399 1.958 4.497 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.831 1.404 3.944 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.947 0.072 5.835 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.797 -0.609 7.009 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.482 -0.762 5.264 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.000 3.839 3.806 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.756 3.365 4.987 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.349 3.927 5.549 1.00 15.00 H new ATOM 259 N TYR A 297 0.455 0.615 4.250 1.00 15.00 N ATOM 260 CA TYR A 297 -0.277 -0.193 3.296 1.00 15.00 C ATOM 261 C TYR A 297 -0.156 0.404 1.923 1.00 15.00 C ATOM 262 O TYR A 297 -0.277 1.616 1.729 1.00 15.00 O ATOM 263 CB TYR A 297 -1.752 -0.376 3.694 1.00 15.00 C ATOM 264 CG TYR A 297 -2.673 0.803 3.438 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.340 0.946 2.221 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.907 1.749 4.427 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.205 2.002 2.002 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.776 2.800 4.214 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.422 2.923 3.002 1.00 15.00 C ATOM 270 OH TYR A 297 -5.288 3.973 2.796 1.00 15.00 O ATOM 0 H TYR A 297 0.492 1.611 4.035 1.00 15.00 H new ATOM 0 HA TYR A 297 0.167 -1.189 3.292 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.146 -1.239 3.158 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.792 -0.616 4.757 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.178 0.220 1.438 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.401 1.661 5.377 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.708 2.104 1.052 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.950 3.525 4.995 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.327 4.528 3.603 1.00 15.00 H new ATOM 280 N PHE A 298 0.096 -0.453 0.977 1.00 15.00 N ATOM 281 CA PHE A 298 0.355 -0.026 -0.354 1.00 15.00 C ATOM 282 C PHE A 298 -0.785 -0.240 -1.288 1.00 15.00 C ATOM 283 O PHE A 298 -1.538 -1.208 -1.188 1.00 15.00 O ATOM 284 CB PHE A 298 1.564 -0.735 -0.875 1.00 15.00 C ATOM 285 CG PHE A 298 2.773 0.038 -0.568 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.934 1.282 -1.142 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.740 -0.458 0.279 1.00 15.00 C ATOM 288 CE1 PHE A 298 4.045 2.023 -0.884 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.868 0.279 0.532 1.00 15.00 C ATOM 290 CZ PHE A 298 5.013 1.517 -0.054 1.00 15.00 C ATOM 0 H PHE A 298 0.126 -1.464 1.113 1.00 15.00 H new ATOM 0 HA PHE A 298 0.518 1.051 -0.308 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.634 -1.727 -0.429 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.477 -0.876 -1.952 1.00 15.00 H new ATOM 0 HD1 PHE A 298 2.172 1.671 -1.801 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.610 -1.425 0.742 1.00 15.00 H new ATOM 0 HE1 PHE A 298 4.164 3.000 -1.328 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.636 -0.108 1.185 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.902 2.098 0.143 1.00 15.00 H new ATOM 300 N VAL A 299 -0.843 0.666 -2.232 1.00 15.00 N ATOM 301 CA VAL A 299 -1.760 0.583 -3.334 1.00 15.00 C ATOM 302 C VAL A 299 -1.013 1.021 -4.591 1.00 15.00 C ATOM 303 O VAL A 299 -0.439 2.124 -4.663 1.00 15.00 O ATOM 304 CB VAL A 299 -3.064 1.411 -3.118 1.00 15.00 C ATOM 305 CG1 VAL A 299 -3.826 0.930 -1.891 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.784 2.896 -2.994 1.00 15.00 C ATOM 0 H VAL A 299 -0.245 1.492 -2.254 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.103 -0.447 -3.431 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.679 1.254 -4.004 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.730 1.527 -1.767 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.097 -0.118 -2.019 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.197 1.036 -1.007 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.721 3.432 -2.845 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.126 3.072 -2.143 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.303 3.253 -3.905 1.00 15.00 H new ATOM 316 N ASP A 300 -0.922 0.109 -5.536 1.00 15.00 N ATOM 317 CA ASP A 300 -0.261 0.391 -6.791 1.00 15.00 C ATOM 318 C ASP A 300 -1.308 0.449 -7.889 1.00 15.00 C ATOM 319 O ASP A 300 -2.228 -0.375 -7.930 1.00 15.00 O ATOM 320 CB ASP A 300 0.810 -0.664 -7.096 1.00 15.00 C ATOM 321 CG ASP A 300 0.330 -1.730 -8.056 1.00 15.00 C ATOM 322 OD1 ASP A 300 -0.307 -2.701 -7.605 1.00 15.00 O ATOM 323 OD2 ASP A 300 0.583 -1.590 -9.271 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.299 -0.836 -5.458 1.00 15.00 H new ATOM 0 HA ASP A 300 0.249 1.352 -6.729 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.688 -0.173 -7.516 1.00 15.00 H new ATOM 0 HB3 ASP A 300 1.124 -1.136 -6.165 1.00 15.00 H new ATOM 328 N HIS A 301 -1.156 1.419 -8.778 1.00 15.00 N ATOM 329 CA HIS A 301 -2.184 1.729 -9.764 1.00 15.00 C ATOM 330 C HIS A 301 -2.099 0.844 -11.001 1.00 15.00 C ATOM 331 O HIS A 301 -3.039 0.801 -11.794 1.00 15.00 O ATOM 332 CB HIS A 301 -2.100 3.195 -10.190 1.00 15.00 C ATOM 333 CG HIS A 301 -2.559 4.169 -9.147 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.851 4.201 -8.671 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.908 5.182 -8.527 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.978 5.203 -7.819 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.815 5.808 -7.712 1.00 15.00 N ATOM 0 H HIS A 301 -0.326 2.009 -8.838 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.140 1.535 -9.278 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -1.068 3.425 -10.456 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.700 3.335 -11.089 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.593 3.553 -8.935 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.868 5.447 -8.652 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.883 5.479 -7.299 1.00 15.00 H new ATOM 346 N ASN A 302 -0.984 0.157 -11.185 1.00 15.00 N ATOM 347 CA ASN A 302 -0.787 -0.623 -12.400 1.00 15.00 C ATOM 348 C ASN A 302 -1.299 -2.043 -12.218 1.00 15.00 C ATOM 349 O ASN A 302 -1.925 -2.611 -13.114 1.00 15.00 O ATOM 350 CB ASN A 302 0.686 -0.635 -12.819 1.00 15.00 C ATOM 351 CG ASN A 302 1.207 0.755 -13.137 1.00 15.00 C ATOM 352 OD1 ASN A 302 1.772 1.431 -12.278 1.00 15.00 O ATOM 353 ND2 ASN A 302 1.014 1.191 -14.373 1.00 15.00 N ATOM 0 H ASN A 302 -0.211 0.121 -10.521 1.00 15.00 H new ATOM 0 HA ASN A 302 -1.360 -0.147 -13.196 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.285 -1.071 -12.019 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.807 -1.275 -13.693 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.339 2.120 -14.643 1.00 15.00 H new ATOM 0 HD22 ASN A 302 0.541 0.598 -15.055 1.00 15.00 H new ATOM 360 N ASN A 303 -1.013 -2.621 -11.067 1.00 15.00 N ATOM 361 CA ASN A 303 -1.501 -3.952 -10.743 1.00 15.00 C ATOM 362 C ASN A 303 -2.805 -3.866 -9.955 1.00 15.00 C ATOM 363 O ASN A 303 -3.509 -4.865 -9.800 1.00 15.00 O ATOM 364 CB ASN A 303 -0.460 -4.731 -9.932 1.00 15.00 C ATOM 365 CG ASN A 303 0.894 -4.799 -10.610 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.176 -5.724 -11.370 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.735 -3.813 -10.346 1.00 15.00 N ATOM 0 H ASN A 303 -0.444 -2.190 -10.338 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.684 -4.479 -11.679 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.347 -4.264 -8.954 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.825 -5.744 -9.761 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.658 -3.800 -10.779 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.460 -3.065 -9.709 1.00 15.00 H new ATOM 374 N ARG A 304 -3.104 -2.665 -9.443 1.00 15.00 N ATOM 375 CA ARG A 304 -4.281 -2.433 -8.604 1.00 15.00 C ATOM 376 C ARG A 304 -4.189 -3.284 -7.345 1.00 15.00 C ATOM 377 O ARG A 304 -5.191 -3.800 -6.847 1.00 15.00 O ATOM 378 CB ARG A 304 -5.571 -2.748 -9.369 1.00 15.00 C ATOM 379 CG ARG A 304 -5.755 -1.933 -10.637 1.00 15.00 C ATOM 380 CD ARG A 304 -7.052 -2.296 -11.342 1.00 15.00 C ATOM 381 NE ARG A 304 -8.207 -2.209 -10.447 1.00 15.00 N ATOM 382 CZ ARG A 304 -9.241 -1.396 -10.646 1.00 15.00 C ATOM 383 NH1 ARG A 304 -9.256 -0.564 -11.682 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -10.264 -1.406 -9.803 1.00 15.00 N ATOM 0 H ARG A 304 -2.537 -1.831 -9.599 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.307 -1.380 -8.324 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.579 -3.807 -9.626 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.422 -2.574 -8.711 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.756 -0.871 -10.392 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.913 -2.105 -11.308 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.201 -1.630 -12.192 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.977 -3.308 -11.740 1.00 15.00 H new ATOM 0 HE ARG A 304 -8.220 -2.808 -9.621 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.471 -0.545 -12.332 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -10.053 0.056 -11.827 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -10.258 -2.037 -9.002 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -11.057 -0.783 -9.956 1.00 15.00 H new ATOM 398 N THR A 305 -2.986 -3.374 -6.803 1.00 15.00 N ATOM 399 CA THR A 305 -2.707 -4.322 -5.735 1.00 15.00 C ATOM 400 C THR A 305 -2.464 -3.628 -4.392 1.00 15.00 C ATOM 401 O THR A 305 -1.862 -2.551 -4.331 1.00 15.00 O ATOM 402 CB THR A 305 -1.490 -5.197 -6.106 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.776 -5.919 -7.311 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.146 -6.180 -4.996 1.00 15.00 C ATOM 0 H THR A 305 -2.188 -2.804 -7.083 1.00 15.00 H new ATOM 0 HA THR A 305 -3.590 -4.951 -5.621 1.00 15.00 H new ATOM 0 HB THR A 305 -0.632 -4.541 -6.251 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.005 -6.474 -7.550 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.285 -6.778 -5.294 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.909 -5.631 -4.084 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.997 -6.836 -4.814 1.00 15.00 H new ATOM 412 N THR A 306 -2.962 -4.253 -3.327 1.00 15.00 N ATOM 413 CA THR A 306 -2.737 -3.782 -1.971 1.00 15.00 C ATOM 414 C THR A 306 -1.716 -4.674 -1.263 1.00 15.00 C ATOM 415 O THR A 306 -1.899 -5.889 -1.167 1.00 15.00 O ATOM 416 CB THR A 306 -4.042 -3.775 -1.146 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.071 -3.053 -1.839 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.809 -3.145 0.219 1.00 15.00 C ATOM 0 H THR A 306 -3.531 -5.098 -3.384 1.00 15.00 H new ATOM 0 HA THR A 306 -2.361 -2.761 -2.043 1.00 15.00 H new ATOM 0 HB THR A 306 -4.361 -4.808 -1.010 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.711 -2.693 -1.190 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.740 -3.149 0.785 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.053 -3.716 0.759 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.466 -2.118 0.092 1.00 15.00 H new ATOM 426 N GLN A 307 -0.645 -4.071 -0.767 1.00 15.00 N ATOM 427 CA GLN A 307 0.414 -4.816 -0.092 1.00 15.00 C ATOM 428 C GLN A 307 0.627 -4.298 1.326 1.00 15.00 C ATOM 429 O GLN A 307 0.771 -3.100 1.533 1.00 15.00 O ATOM 430 CB GLN A 307 1.733 -4.690 -0.868 1.00 15.00 C ATOM 431 CG GLN A 307 1.743 -5.389 -2.218 1.00 15.00 C ATOM 432 CD GLN A 307 1.673 -6.901 -2.105 1.00 15.00 C ATOM 433 OE1 GLN A 307 1.128 -7.572 -2.979 1.00 15.00 O ATOM 434 NE2 GLN A 307 2.248 -7.450 -1.046 1.00 15.00 N ATOM 0 H GLN A 307 -0.484 -3.065 -0.818 1.00 15.00 H new ATOM 0 HA GLN A 307 0.107 -5.861 -0.050 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.950 -3.633 -1.020 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.539 -5.097 -0.257 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.899 -5.035 -2.810 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.649 -5.112 -2.757 1.00 15.00 H new ATOM 0 HE21 GLN A 307 2.690 -6.859 -0.342 1.00 15.00 H new ATOM 0 HE22 GLN A 307 2.249 -8.464 -0.934 1.00 15.00 H new ATOM 443 N PHE A 308 0.660 -5.197 2.301 1.00 15.00 N ATOM 444 CA PHE A 308 1.086 -4.825 3.649 1.00 15.00 C ATOM 445 C PHE A 308 2.604 -4.920 3.736 1.00 15.00 C ATOM 446 O PHE A 308 3.222 -4.501 4.716 1.00 15.00 O ATOM 447 CB PHE A 308 0.429 -5.705 4.721 1.00 15.00 C ATOM 448 CG PHE A 308 -0.717 -5.035 5.437 1.00 15.00 C ATOM 449 CD1 PHE A 308 -0.745 -3.660 5.586 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.749 -5.779 5.981 1.00 15.00 C ATOM 451 CE1 PHE A 308 -1.783 -3.044 6.259 1.00 15.00 C ATOM 452 CE2 PHE A 308 -2.790 -5.168 6.649 1.00 15.00 C ATOM 453 CZ PHE A 308 -2.806 -3.798 6.786 1.00 15.00 C ATOM 0 H PHE A 308 0.401 -6.177 2.189 1.00 15.00 H new ATOM 0 HA PHE A 308 0.767 -3.800 3.841 1.00 15.00 H new ATOM 0 HB2 PHE A 308 0.068 -6.622 4.255 1.00 15.00 H new ATOM 0 HB3 PHE A 308 1.183 -5.995 5.453 1.00 15.00 H new ATOM 0 HD1 PHE A 308 0.053 -3.061 5.172 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.739 -6.854 5.881 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -1.791 -1.970 6.371 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.590 -5.763 7.063 1.00 15.00 H new ATOM 0 HZ PHE A 308 -3.620 -3.316 7.306 1.00 15.00 H new ATOM 463 N THR A 309 3.188 -5.497 2.697 1.00 15.00 N ATOM 464 CA THR A 309 4.626 -5.622 2.580 1.00 15.00 C ATOM 465 C THR A 309 5.261 -4.343 2.039 1.00 15.00 C ATOM 466 O THR A 309 4.990 -3.932 0.911 1.00 15.00 O ATOM 467 CB THR A 309 4.991 -6.800 1.653 1.00 15.00 C ATOM 468 OG1 THR A 309 4.664 -8.039 2.290 1.00 15.00 O ATOM 469 CG2 THR A 309 6.467 -6.786 1.285 1.00 15.00 C ATOM 0 H THR A 309 2.673 -5.892 1.910 1.00 15.00 H new ATOM 0 HA THR A 309 5.016 -5.806 3.581 1.00 15.00 H new ATOM 0 HB THR A 309 4.414 -6.694 0.734 1.00 15.00 H new ATOM 0 HG1 THR A 309 3.692 -8.103 2.401 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.687 -7.630 0.631 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.704 -5.856 0.769 1.00 15.00 H new ATOM 0 HG23 THR A 309 7.069 -6.862 2.191 1.00 15.00 H new ATOM 477 N ASP A 310 6.091 -3.719 2.860 1.00 15.00 N ATOM 478 CA ASP A 310 6.927 -2.616 2.411 1.00 15.00 C ATOM 479 C ASP A 310 8.304 -3.169 2.044 1.00 15.00 C ATOM 480 O ASP A 310 8.865 -3.984 2.786 1.00 15.00 O ATOM 481 CB ASP A 310 7.047 -1.550 3.508 1.00 15.00 C ATOM 482 CG ASP A 310 7.803 -0.315 3.053 1.00 15.00 C ATOM 483 OD1 ASP A 310 9.033 -0.402 2.852 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 7.173 0.749 2.901 1.00 15.00 O ATOM 0 H ASP A 310 6.204 -3.959 3.845 1.00 15.00 H new ATOM 0 HA ASP A 310 6.477 -2.143 1.539 1.00 15.00 H new ATOM 0 HB2 ASP A 310 6.049 -1.259 3.835 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.552 -1.981 4.372 1.00 15.00 H new ATOM 489 N PRO A 311 8.865 -2.730 0.905 1.00 15.00 N ATOM 490 CA PRO A 311 10.125 -3.264 0.368 1.00 15.00 C ATOM 491 C PRO A 311 11.329 -3.104 1.302 1.00 15.00 C ATOM 492 O PRO A 311 12.370 -3.730 1.088 1.00 15.00 O ATOM 493 CB PRO A 311 10.343 -2.460 -0.920 1.00 15.00 C ATOM 494 CG PRO A 311 9.496 -1.246 -0.767 1.00 15.00 C ATOM 495 CD PRO A 311 8.310 -1.680 0.038 1.00 15.00 C ATOM 0 HA PRO A 311 10.048 -4.341 0.221 1.00 15.00 H new ATOM 0 HB2 PRO A 311 11.393 -2.195 -1.046 1.00 15.00 H new ATOM 0 HB3 PRO A 311 10.052 -3.036 -1.798 1.00 15.00 H new ATOM 0 HG2 PRO A 311 10.042 -0.449 -0.262 1.00 15.00 H new ATOM 0 HG3 PRO A 311 9.189 -0.857 -1.738 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.893 -0.857 0.618 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.510 -2.061 -0.596 1.00 15.00 H new ATOM 503 N ARG A 312 11.210 -2.264 2.329 1.00 15.00 N ATOM 504 CA ARG A 312 12.308 -2.085 3.276 1.00 15.00 C ATOM 505 C ARG A 312 12.436 -3.296 4.199 1.00 15.00 C ATOM 506 O ARG A 312 13.452 -3.468 4.872 1.00 15.00 O ATOM 507 CB ARG A 312 12.130 -0.813 4.111 1.00 15.00 C ATOM 508 CG ARG A 312 10.931 -0.847 5.046 1.00 15.00 C ATOM 509 CD ARG A 312 10.762 0.470 5.780 1.00 15.00 C ATOM 510 NE ARG A 312 9.487 0.545 6.495 1.00 15.00 N ATOM 511 CZ ARG A 312 8.870 1.686 6.788 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.429 2.846 6.464 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.696 1.662 7.406 1.00 15.00 N ATOM 0 H ARG A 312 10.379 -1.706 2.525 1.00 15.00 H new ATOM 0 HA ARG A 312 13.223 -1.986 2.692 1.00 15.00 H new ATOM 0 HB2 ARG A 312 13.032 -0.649 4.700 1.00 15.00 H new ATOM 0 HB3 ARG A 312 12.029 0.039 3.439 1.00 15.00 H new ATOM 0 HG2 ARG A 312 10.029 -1.065 4.475 1.00 15.00 H new ATOM 0 HG3 ARG A 312 11.054 -1.654 5.768 1.00 15.00 H new ATOM 0 HD2 ARG A 312 11.581 0.597 6.487 1.00 15.00 H new ATOM 0 HD3 ARG A 312 10.826 1.292 5.067 1.00 15.00 H new ATOM 0 HE ARG A 312 9.046 -0.328 6.785 1.00 15.00 H new ATOM 0 HH11 ARG A 312 10.332 2.862 5.990 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.955 3.721 6.689 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.269 0.770 7.655 1.00 15.00 H new ATOM 0 HH22 ARG A 312 7.221 2.536 7.632 1.00 15.00 H new ATOM 527 N LEU A 313 11.397 -4.122 4.238 1.00 15.00 N ATOM 528 CA LEU A 313 11.413 -5.313 5.078 1.00 15.00 C ATOM 529 C LEU A 313 11.487 -6.580 4.227 1.00 15.00 C ATOM 530 O LEU A 313 12.018 -7.603 4.661 1.00 15.00 O ATOM 531 CB LEU A 313 10.176 -5.349 5.983 1.00 15.00 C ATOM 532 CG LEU A 313 10.118 -6.517 6.974 1.00 15.00 C ATOM 533 CD1 LEU A 313 11.293 -6.462 7.940 1.00 15.00 C ATOM 534 CD2 LEU A 313 8.800 -6.502 7.735 1.00 15.00 C ATOM 0 H LEU A 313 10.539 -3.991 3.702 1.00 15.00 H new ATOM 0 HA LEU A 313 12.303 -5.272 5.706 1.00 15.00 H new ATOM 0 HB2 LEU A 313 10.131 -4.416 6.545 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.287 -5.385 5.353 1.00 15.00 H new ATOM 0 HG LEU A 313 10.183 -7.448 6.411 1.00 15.00 H new ATOM 0 HD11 LEU A 313 11.232 -7.300 8.635 1.00 15.00 H new ATOM 0 HD12 LEU A 313 12.227 -6.521 7.381 1.00 15.00 H new ATOM 0 HD13 LEU A 313 11.262 -5.526 8.497 1.00 15.00 H new ATOM 0 HD21 LEU A 313 8.774 -7.337 8.435 1.00 15.00 H new ATOM 0 HD22 LEU A 313 8.708 -5.565 8.285 1.00 15.00 H new ATOM 0 HD23 LEU A 313 7.973 -6.592 7.031 1.00 15.00 H new ATOM 546 N HIS A 314 10.912 -6.522 3.032 1.00 15.00 N ATOM 547 CA HIS A 314 10.975 -7.643 2.102 1.00 15.00 C ATOM 548 C HIS A 314 11.655 -7.219 0.810 1.00 15.00 C ATOM 549 O HIS A 314 12.868 -7.471 0.671 1.00 15.00 O ATOM 550 CB HIS A 314 9.580 -8.204 1.802 1.00 15.00 C ATOM 551 CG HIS A 314 8.984 -8.991 2.932 1.00 15.00 C ATOM 552 ND1 HIS A 314 7.641 -9.294 3.015 1.00 15.00 N ATOM 553 CD2 HIS A 314 9.558 -9.555 4.021 1.00 15.00 C ATOM 554 CE1 HIS A 314 7.417 -10.005 4.102 1.00 15.00 C ATOM 555 NE2 HIS A 314 8.563 -10.178 4.730 1.00 15.00 N ATOM 556 OXT HIS A 314 10.982 -6.621 -0.051 1.00 15.00 O ATOM 0 H HIS A 314 10.398 -5.713 2.684 1.00 15.00 H new ATOM 0 HA HIS A 314 11.560 -8.432 2.574 1.00 15.00 H new ATOM 0 HB2 HIS A 314 8.912 -7.378 1.556 1.00 15.00 H new ATOM 0 HB3 HIS A 314 9.638 -8.841 0.919 1.00 15.00 H new ATOM 0 HD2 HIS A 314 10.605 -9.521 4.283 1.00 15.00 H new ATOM 0 HE1 HIS A 314 6.457 -10.382 4.424 1.00 15.00 H new ATOM 0 HE2 HIS A 314 8.689 -10.692 5.602 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 0.981 -12.399 4.393 1.00 15.00 N ATOM 567 CA GLU B 203 1.234 -11.190 5.214 1.00 15.00 C ATOM 568 C GLU B 203 1.024 -11.461 6.706 1.00 15.00 C ATOM 569 O GLU B 203 1.547 -10.728 7.546 1.00 15.00 O ATOM 570 CB GLU B 203 0.311 -10.042 4.777 1.00 15.00 C ATOM 571 CG GLU B 203 0.336 -9.758 3.282 1.00 15.00 C ATOM 572 CD GLU B 203 1.726 -9.467 2.762 1.00 15.00 C ATOM 573 OE1 GLU B 203 2.508 -10.426 2.602 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 2.044 -8.281 2.522 1.00 15.00 O ATOM 0 HA GLU B 203 2.275 -10.909 5.057 1.00 15.00 H new ATOM 0 HB2 GLU B 203 -0.711 -10.279 5.074 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.597 -9.137 5.313 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -0.075 -10.615 2.748 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -0.312 -8.908 3.068 1.00 15.00 H new ATOM 583 N LEU B 204 0.236 -12.496 7.032 1.00 15.00 N ATOM 584 CA LEU B 204 -0.099 -12.826 8.427 1.00 15.00 C ATOM 585 C LEU B 204 -0.879 -11.693 9.100 1.00 15.00 C ATOM 586 O LEU B 204 -1.067 -11.686 10.318 1.00 15.00 O ATOM 587 CB LEU B 204 1.163 -13.146 9.247 1.00 15.00 C ATOM 588 CG LEU B 204 1.776 -14.535 9.022 1.00 15.00 C ATOM 589 CD1 LEU B 204 0.719 -15.617 9.167 1.00 15.00 C ATOM 590 CD2 LEU B 204 2.456 -14.623 7.664 1.00 15.00 C ATOM 0 H LEU B 204 -0.184 -13.123 6.345 1.00 15.00 H new ATOM 0 HA LEU B 204 -0.731 -13.714 8.398 1.00 15.00 H new ATOM 0 HB2 LEU B 204 1.920 -12.395 9.020 1.00 15.00 H new ATOM 0 HB3 LEU B 204 0.921 -13.044 10.305 1.00 15.00 H new ATOM 0 HG LEU B 204 2.537 -14.694 9.786 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.174 -16.594 9.004 1.00 15.00 H new ATOM 0 HD12 LEU B 204 0.293 -15.578 10.170 1.00 15.00 H new ATOM 0 HD13 LEU B 204 -0.069 -15.456 8.432 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.881 -15.618 7.534 1.00 15.00 H new ATOM 0 HD22 LEU B 204 1.725 -14.435 6.878 1.00 15.00 H new ATOM 0 HD23 LEU B 204 3.251 -13.879 7.606 1.00 15.00 H new ATOM 602 N GLU B 205 -1.373 -10.769 8.295 1.00 15.00 N ATOM 603 CA GLU B 205 -2.074 -9.599 8.796 1.00 15.00 C ATOM 604 C GLU B 205 -3.562 -9.689 8.517 1.00 15.00 C ATOM 605 O GLU B 205 -3.992 -10.401 7.606 1.00 15.00 O ATOM 606 CB GLU B 205 -1.521 -8.335 8.138 1.00 15.00 C ATOM 607 CG GLU B 205 -0.309 -7.752 8.836 1.00 15.00 C ATOM 608 CD GLU B 205 -0.622 -7.314 10.251 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.679 -6.680 10.466 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 0.179 -7.611 11.160 1.00 15.00 O ATOM 0 H GLU B 205 -1.300 -10.808 7.278 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.920 -9.557 9.874 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.257 -8.562 7.105 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.307 -7.581 8.108 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.489 -8.494 8.855 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.061 -6.899 8.267 1.00 15.00 H new ATOM 617 N SER B 206 -4.338 -8.956 9.303 1.00 15.00 N ATOM 618 CA SER B 206 -5.750 -8.764 9.029 1.00 15.00 C ATOM 619 C SER B 206 -5.903 -8.177 7.626 1.00 15.00 C ATOM 620 O SER B 206 -5.038 -7.414 7.188 1.00 15.00 O ATOM 621 CB SER B 206 -6.340 -7.820 10.077 1.00 15.00 C ATOM 622 OG SER B 206 -5.985 -8.240 11.385 1.00 15.00 O ATOM 0 H SER B 206 -4.007 -8.481 10.143 1.00 15.00 H new ATOM 0 HA SER B 206 -6.282 -9.714 9.077 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.979 -6.806 9.905 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.425 -7.793 9.980 1.00 15.00 H new ATOM 0 HG SER B 206 -6.370 -7.623 12.042 1.00 15.00 H new ATOM 628 N PRO B 207 -7.003 -8.496 6.923 1.00 15.00 N ATOM 629 CA PRO B 207 -7.175 -8.154 5.506 1.00 15.00 C ATOM 630 C PRO B 207 -6.853 -6.695 5.198 1.00 15.00 C ATOM 631 O PRO B 207 -7.469 -5.776 5.747 1.00 15.00 O ATOM 632 CB PRO B 207 -8.660 -8.436 5.238 1.00 15.00 C ATOM 633 CG PRO B 207 -9.275 -8.685 6.577 1.00 15.00 C ATOM 634 CD PRO B 207 -8.173 -9.206 7.445 1.00 15.00 C ATOM 0 HA PRO B 207 -6.494 -8.729 4.879 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.135 -7.590 4.741 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.782 -9.300 4.585 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.697 -7.768 6.989 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.089 -9.406 6.505 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.346 -8.985 8.498 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.064 -10.287 7.359 1.00 15.00 H new ATOM 642 N PRO B 208 -5.862 -6.475 4.319 1.00 15.00 N ATOM 643 CA PRO B 208 -5.446 -5.138 3.910 1.00 15.00 C ATOM 644 C PRO B 208 -6.559 -4.377 3.190 1.00 15.00 C ATOM 645 O PRO B 208 -7.433 -4.977 2.556 1.00 15.00 O ATOM 646 CB PRO B 208 -4.261 -5.383 2.967 1.00 15.00 C ATOM 647 CG PRO B 208 -4.342 -6.814 2.574 1.00 15.00 C ATOM 648 CD PRO B 208 -5.045 -7.526 3.692 1.00 15.00 C ATOM 0 HA PRO B 208 -5.189 -4.520 4.770 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.317 -4.734 2.093 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.315 -5.167 3.464 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.888 -6.928 1.638 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.347 -7.229 2.415 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.662 -8.344 3.320 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.337 -7.957 4.399 1.00 15.00 H new ATOM 656 N PRO B 209 -6.501 -3.040 3.254 1.00 15.00 N ATOM 657 CA PRO B 209 -7.528 -2.158 2.694 1.00 15.00 C ATOM 658 C PRO B 209 -7.699 -2.369 1.191 1.00 15.00 C ATOM 659 O PRO B 209 -6.745 -2.214 0.426 1.00 15.00 O ATOM 660 CB PRO B 209 -6.996 -0.743 2.978 1.00 15.00 C ATOM 661 CG PRO B 209 -5.941 -0.906 4.005 1.00 15.00 C ATOM 662 CD PRO B 209 -5.398 -2.290 3.860 1.00 15.00 C ATOM 0 HA PRO B 209 -8.508 -2.346 3.131 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.594 -0.288 2.073 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.792 -0.091 3.336 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.152 -0.166 3.868 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.349 -0.755 5.004 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.510 -2.306 3.229 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.112 -2.710 4.824 1.00 15.00 H new ATOM 670 N PRO B 210 -8.913 -2.754 0.757 1.00 15.00 N ATOM 671 CA PRO B 210 -9.221 -2.957 -0.663 1.00 15.00 C ATOM 672 C PRO B 210 -8.829 -1.746 -1.498 1.00 15.00 C ATOM 673 O PRO B 210 -9.119 -0.609 -1.118 1.00 15.00 O ATOM 674 CB PRO B 210 -10.739 -3.151 -0.674 1.00 15.00 C ATOM 675 CG PRO B 210 -11.060 -3.671 0.683 1.00 15.00 C ATOM 676 CD PRO B 210 -10.077 -3.020 1.618 1.00 15.00 C ATOM 0 HA PRO B 210 -8.675 -3.797 -1.092 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.257 -2.213 -0.872 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.043 -3.853 -1.450 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.085 -3.427 0.962 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.970 -4.757 0.716 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.478 -2.102 2.047 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -9.820 -3.675 2.451 1.00 15.00 H new ATOM 684 N TYR B 211 -8.167 -1.994 -2.623 1.00 15.00 N ATOM 685 CA TYR B 211 -7.666 -0.919 -3.464 1.00 15.00 C ATOM 686 C TYR B 211 -8.792 -0.042 -4.003 1.00 15.00 C ATOM 687 O TYR B 211 -9.470 -0.386 -4.973 1.00 15.00 O ATOM 688 CB TYR B 211 -6.807 -1.463 -4.618 1.00 15.00 C ATOM 689 CG TYR B 211 -6.472 -0.427 -5.676 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.943 0.813 -5.332 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.706 -0.683 -7.021 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.665 1.763 -6.298 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.420 0.263 -7.987 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.907 1.475 -7.624 1.00 15.00 C ATOM 695 OH TYR B 211 -5.655 2.408 -8.600 1.00 15.00 O ATOM 0 H TYR B 211 -7.966 -2.931 -2.972 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.035 -0.295 -2.831 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.879 -1.864 -4.210 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.333 -2.293 -5.090 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.746 1.037 -4.294 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.118 -1.637 -7.317 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.261 2.724 -6.015 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.602 0.044 -9.029 1.00 15.00 H new ATOM 0 HH TYR B 211 -5.883 2.034 -9.477 1.00 15.00 H new ATOM 705 N SER B 212 -9.016 1.061 -3.315 1.00 15.00 N ATOM 706 CA SER B 212 -9.828 2.139 -3.830 1.00 15.00 C ATOM 707 C SER B 212 -8.899 3.010 -4.662 1.00 15.00 C ATOM 708 O SER B 212 -7.718 3.116 -4.333 1.00 15.00 O ATOM 709 CB SER B 212 -10.439 2.927 -2.668 1.00 15.00 C ATOM 710 OG SER B 212 -11.569 3.678 -3.084 1.00 15.00 O ATOM 0 H SER B 212 -8.639 1.232 -2.383 1.00 15.00 H new ATOM 0 HA SER B 212 -10.656 1.774 -4.438 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.731 2.239 -1.874 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.689 3.598 -2.249 1.00 15.00 H new ATOM 0 HG SER B 212 -11.936 4.168 -2.319 1.00 15.00 H new ATOM 716 N ARG B 213 -9.411 3.664 -5.699 1.00 15.00 N ATOM 717 CA ARG B 213 -8.536 4.310 -6.673 1.00 15.00 C ATOM 718 C ARG B 213 -7.653 5.363 -6.018 1.00 15.00 C ATOM 719 O ARG B 213 -6.432 5.322 -6.158 1.00 15.00 O ATOM 720 CB ARG B 213 -9.344 4.940 -7.813 1.00 15.00 C ATOM 721 CG ARG B 213 -10.048 3.927 -8.696 1.00 15.00 C ATOM 722 CD ARG B 213 -9.718 4.138 -10.166 1.00 15.00 C ATOM 723 NE ARG B 213 -10.158 5.444 -10.660 1.00 15.00 N ATOM 724 CZ ARG B 213 -10.358 5.723 -11.952 1.00 15.00 C ATOM 725 NH1 ARG B 213 -10.206 4.782 -12.879 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -10.723 6.943 -12.317 1.00 15.00 N ATOM 0 H ARG B 213 -10.409 3.761 -5.886 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.894 3.534 -7.089 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.086 5.617 -7.389 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.677 5.543 -8.429 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.757 2.920 -8.398 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -11.125 4.003 -8.550 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.642 4.043 -10.310 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.189 3.353 -10.757 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.322 6.185 -9.978 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.934 3.837 -12.607 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.361 5.005 -13.862 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.851 7.669 -11.612 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.876 7.156 -13.303 1.00 15.00 H new ATOM 740 N TYR B 214 -8.255 6.307 -5.315 1.00 15.00 N ATOM 741 CA TYR B 214 -7.485 7.327 -4.615 1.00 15.00 C ATOM 742 C TYR B 214 -7.770 7.274 -3.119 1.00 15.00 C ATOM 743 O TYR B 214 -8.828 7.711 -2.662 1.00 15.00 O ATOM 744 CB TYR B 214 -7.762 8.726 -5.187 1.00 15.00 C ATOM 745 CG TYR B 214 -7.066 8.995 -6.510 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.992 8.014 -7.491 1.00 15.00 C ATOM 747 CD2 TYR B 214 -6.476 10.224 -6.773 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.356 8.243 -8.690 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.837 10.467 -7.976 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.779 9.472 -8.933 1.00 15.00 C ATOM 751 OH TYR B 214 -5.151 9.705 -10.134 1.00 15.00 O ATOM 0 H TYR B 214 -9.266 6.391 -5.213 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.426 7.119 -4.768 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.837 8.847 -5.321 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.445 9.475 -4.461 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.444 7.050 -7.309 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.516 11.003 -6.026 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.309 7.464 -9.437 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.386 11.430 -8.166 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.799 10.619 -10.147 1.00 15.00 H new ATOM 761 N PRO B 215 -6.843 6.687 -2.350 1.00 15.00 N ATOM 762 CA PRO B 215 -6.996 6.518 -0.908 1.00 15.00 C ATOM 763 C PRO B 215 -6.550 7.750 -0.123 1.00 15.00 C ATOM 764 O PRO B 215 -5.456 8.277 -0.333 1.00 15.00 O ATOM 765 CB PRO B 215 -6.090 5.325 -0.611 1.00 15.00 C ATOM 766 CG PRO B 215 -5.004 5.397 -1.634 1.00 15.00 C ATOM 767 CD PRO B 215 -5.565 6.132 -2.830 1.00 15.00 C ATOM 0 HA PRO B 215 -8.035 6.370 -0.615 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.684 5.380 0.399 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.638 4.386 -0.684 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.134 5.918 -1.235 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.675 4.397 -1.917 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.890 6.920 -3.165 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.715 5.460 -3.675 1.00 15.00 H new ATOM 775 N MET B 216 -7.396 8.192 0.791 1.00 15.00 N ATOM 776 CA MET B 216 -7.112 9.383 1.577 1.00 15.00 C ATOM 777 C MET B 216 -6.935 9.025 3.046 1.00 15.00 C ATOM 778 O MET B 216 -7.783 8.357 3.639 1.00 15.00 O ATOM 779 CB MET B 216 -8.244 10.403 1.416 1.00 15.00 C ATOM 780 CG MET B 216 -8.457 10.849 -0.022 1.00 15.00 C ATOM 781 SD MET B 216 -7.024 11.710 -0.704 1.00 15.00 S ATOM 782 CE MET B 216 -7.513 11.871 -2.422 1.00 15.00 C ATOM 0 H MET B 216 -8.286 7.745 1.008 1.00 15.00 H new ATOM 0 HA MET B 216 -6.183 9.824 1.214 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.170 9.970 1.795 1.00 15.00 H new ATOM 0 HB3 MET B 216 -8.026 11.276 2.031 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.680 9.978 -0.639 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.326 11.505 -0.070 1.00 15.00 H new ATOM 0 HE1 MET B 216 -6.632 12.065 -3.034 1.00 15.00 H new ATOM 0 HE2 MET B 216 -7.989 10.948 -2.753 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.215 12.698 -2.524 1.00 15.00 H new ATOM 792 N ASP B 217 -5.828 9.463 3.626 1.00 15.00 N ATOM 793 CA ASP B 217 -5.554 9.222 5.036 1.00 15.00 C ATOM 794 C ASP B 217 -5.997 10.421 5.868 1.00 15.00 C ATOM 795 O ASP B 217 -5.591 11.557 5.548 1.00 15.00 O ATOM 796 CB ASP B 217 -4.065 8.917 5.269 1.00 15.00 C ATOM 797 CG ASP B 217 -3.142 10.054 4.873 1.00 15.00 C ATOM 798 OD1 ASP B 217 -3.032 10.346 3.661 1.00 15.00 O1- ATOM 799 OD2 ASP B 217 -2.521 10.664 5.773 1.00 15.00 O ATOM 800 OXT ASP B 217 -6.761 10.228 6.837 1.00 15.00 O ATOM 0 H ASP B 217 -5.102 9.989 3.140 1.00 15.00 H new ATOM 0 HA ASP B 217 -6.123 8.347 5.351 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -3.911 8.686 6.323 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -3.793 8.026 4.704 1.00 15.00 H new TER 805 ASP B 217