USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 438 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 Single : A 397 MET CE :methyl -176:sc= -3.95 (180deg=-4.01) USER MOD Single : A 404 SER OG : rot -171:sc= -1.37 USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 145:sc= 0.54 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= 0.00234 X(o=0.0023,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 418 MET CE :methyl -110:sc= -3.96! (180deg=-7.55!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 423 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0569) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -113:sc= -4.7! (180deg=-6.31!) USER MOD Single : A 431 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 433 MET CE :methyl -113:sc= -2.45 (180deg=-5.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 380 -7.469 -12.064 32.297 1.00 0.00 N ATOM 2 CA ASP A 380 -6.206 -11.512 31.742 1.00 0.00 C ATOM 3 C ASP A 380 -5.699 -12.358 30.578 1.00 0.00 C ATOM 4 O ASP A 380 -5.593 -13.579 30.684 1.00 0.00 O ATOM 5 CB ASP A 380 -5.161 -11.470 32.858 1.00 0.00 C ATOM 6 CG ASP A 380 -3.871 -10.803 32.419 1.00 0.00 C ATOM 7 OD1 ASP A 380 -3.878 -10.131 31.366 1.00 0.00 O ATOM 8 OD2 ASP A 380 -2.854 -10.953 33.129 1.00 0.00 O ATOM 0 HA ASP A 380 -6.391 -10.507 31.362 1.00 0.00 H new ATOM 0 HB2 ASP A 380 -5.570 -10.935 33.715 1.00 0.00 H new ATOM 0 HB3 ASP A 380 -4.947 -12.486 33.190 1.00 0.00 H new ATOM 13 N GLU A 381 -5.388 -11.699 29.466 1.00 0.00 N ATOM 14 CA GLU A 381 -4.892 -12.390 28.281 1.00 0.00 C ATOM 15 C GLU A 381 -3.412 -12.098 28.061 1.00 0.00 C ATOM 16 O GLU A 381 -2.920 -11.027 28.422 1.00 0.00 O ATOM 17 CB GLU A 381 -5.696 -11.973 27.048 1.00 0.00 C ATOM 18 CG GLU A 381 -7.175 -12.310 27.144 1.00 0.00 C ATOM 19 CD GLU A 381 -7.954 -11.293 27.955 1.00 0.00 C ATOM 20 OE1 GLU A 381 -7.438 -10.174 28.157 1.00 0.00 O ATOM 21 OE2 GLU A 381 -9.080 -11.616 28.388 1.00 0.00 O ATOM 0 H GLU A 381 -5.471 -10.688 29.361 1.00 0.00 H new ATOM 0 HA GLU A 381 -5.012 -13.462 28.439 1.00 0.00 H new ATOM 0 HB2 GLU A 381 -5.586 -10.899 26.899 1.00 0.00 H new ATOM 0 HB3 GLU A 381 -5.277 -12.462 26.169 1.00 0.00 H new ATOM 0 HG2 GLU A 381 -7.596 -12.368 26.140 1.00 0.00 H new ATOM 0 HG3 GLU A 381 -7.291 -13.295 27.596 1.00 0.00 H new ATOM 28 N GLU A 382 -2.707 -13.053 27.466 1.00 0.00 N ATOM 29 CA GLU A 382 -1.282 -12.898 27.196 1.00 0.00 C ATOM 30 C GLU A 382 -1.021 -12.784 25.697 1.00 0.00 C ATOM 31 O GLU A 382 -1.757 -13.344 24.884 1.00 0.00 O ATOM 32 CB GLU A 382 -0.501 -14.080 27.773 1.00 0.00 C ATOM 33 CG GLU A 382 -0.608 -14.199 29.284 1.00 0.00 C ATOM 34 CD GLU A 382 -0.203 -12.925 30.000 1.00 0.00 C ATOM 35 OE1 GLU A 382 0.890 -12.399 29.703 1.00 0.00 O ATOM 36 OE2 GLU A 382 -0.979 -12.453 30.857 1.00 0.00 O ATOM 0 H GLU A 382 -3.099 -13.944 27.161 1.00 0.00 H new ATOM 0 HA GLU A 382 -0.945 -11.979 27.676 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -0.864 -15.002 27.318 1.00 0.00 H new ATOM 0 HB3 GLU A 382 0.549 -13.980 27.498 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.634 -14.452 29.553 1.00 0.00 H new ATOM 0 HG3 GLU A 382 0.023 -15.020 29.626 1.00 0.00 H new ATOM 43 N GLU A 383 0.032 -12.057 25.338 1.00 0.00 N ATOM 44 CA GLU A 383 0.391 -11.870 23.937 1.00 0.00 C ATOM 45 C GLU A 383 1.752 -12.492 23.639 1.00 0.00 C ATOM 46 O GLU A 383 2.624 -11.853 23.048 1.00 0.00 O ATOM 47 CB GLU A 383 0.407 -10.380 23.589 1.00 0.00 C ATOM 48 CG GLU A 383 0.487 -10.105 22.096 1.00 0.00 C ATOM 49 CD GLU A 383 0.597 -8.625 21.778 1.00 0.00 C ATOM 50 OE1 GLU A 383 0.648 -7.815 22.728 1.00 0.00 O ATOM 51 OE2 GLU A 383 0.631 -8.277 20.579 1.00 0.00 O ATOM 0 H GLU A 383 0.652 -11.588 25.998 1.00 0.00 H new ATOM 0 HA GLU A 383 -0.358 -12.370 23.323 1.00 0.00 H new ATOM 0 HB2 GLU A 383 -0.493 -9.912 23.988 1.00 0.00 H new ATOM 0 HB3 GLU A 383 1.257 -9.909 24.083 1.00 0.00 H new ATOM 0 HG2 GLU A 383 1.349 -10.627 21.680 1.00 0.00 H new ATOM 0 HG3 GLU A 383 -0.398 -10.513 21.608 1.00 0.00 H new ATOM 58 N ASP A 384 1.928 -13.743 24.050 1.00 0.00 N ATOM 59 CA ASP A 384 3.183 -14.453 23.827 1.00 0.00 C ATOM 60 C ASP A 384 3.092 -15.350 22.595 1.00 0.00 C ATOM 61 O ASP A 384 3.811 -16.344 22.486 1.00 0.00 O ATOM 62 CB ASP A 384 3.546 -15.288 25.055 1.00 0.00 C ATOM 63 CG ASP A 384 4.930 -15.899 24.951 1.00 0.00 C ATOM 64 OD1 ASP A 384 5.912 -15.203 25.282 1.00 0.00 O ATOM 65 OD2 ASP A 384 5.031 -17.074 24.538 1.00 0.00 O ATOM 0 H ASP A 384 1.217 -14.287 24.540 1.00 0.00 H new ATOM 0 HA ASP A 384 3.964 -13.712 23.656 1.00 0.00 H new ATOM 0 HB2 ASP A 384 3.495 -14.661 25.945 1.00 0.00 H new ATOM 0 HB3 ASP A 384 2.810 -16.082 25.181 1.00 0.00 H new ATOM 70 N ASP A 385 2.205 -14.994 21.669 1.00 0.00 N ATOM 71 CA ASP A 385 2.025 -15.770 20.448 1.00 0.00 C ATOM 72 C ASP A 385 1.934 -14.854 19.231 1.00 0.00 C ATOM 73 O ASP A 385 1.654 -13.662 19.359 1.00 0.00 O ATOM 74 CB ASP A 385 0.765 -16.632 20.547 1.00 0.00 C ATOM 75 CG ASP A 385 0.874 -17.696 21.621 1.00 0.00 C ATOM 76 OD1 ASP A 385 2.010 -18.003 22.039 1.00 0.00 O ATOM 77 OD2 ASP A 385 -0.177 -18.220 22.047 1.00 0.00 O ATOM 0 H ASP A 385 1.602 -14.175 21.742 1.00 0.00 H new ATOM 0 HA ASP A 385 2.892 -16.420 20.329 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -0.093 -15.993 20.758 1.00 0.00 H new ATOM 0 HB3 ASP A 385 0.578 -17.109 19.585 1.00 0.00 H new ATOM 82 N GLU A 386 2.172 -15.419 18.052 1.00 0.00 N ATOM 83 CA GLU A 386 2.116 -14.653 16.812 1.00 0.00 C ATOM 84 C GLU A 386 0.941 -15.101 15.949 1.00 0.00 C ATOM 85 O GLU A 386 0.651 -16.293 15.847 1.00 0.00 O ATOM 86 CB GLU A 386 3.424 -14.807 16.034 1.00 0.00 C ATOM 87 CG GLU A 386 4.645 -14.315 16.794 1.00 0.00 C ATOM 88 CD GLU A 386 5.919 -14.410 15.976 1.00 0.00 C ATOM 89 OE1 GLU A 386 5.897 -15.068 14.915 1.00 0.00 O ATOM 90 OE2 GLU A 386 6.940 -13.825 16.398 1.00 0.00 O ATOM 0 H GLU A 386 2.405 -16.404 17.929 1.00 0.00 H new ATOM 0 HA GLU A 386 1.975 -13.603 17.068 1.00 0.00 H new ATOM 0 HB2 GLU A 386 3.564 -15.857 15.779 1.00 0.00 H new ATOM 0 HB3 GLU A 386 3.345 -14.259 15.095 1.00 0.00 H new ATOM 0 HG2 GLU A 386 4.488 -13.279 17.096 1.00 0.00 H new ATOM 0 HG3 GLU A 386 4.760 -14.899 17.707 1.00 0.00 H new ATOM 97 N PHE A 387 0.269 -14.137 15.328 1.00 0.00 N ATOM 98 CA PHE A 387 -0.874 -14.432 14.472 1.00 0.00 C ATOM 99 C PHE A 387 -0.603 -13.998 13.035 1.00 0.00 C ATOM 100 O PHE A 387 0.018 -12.962 12.795 1.00 0.00 O ATOM 101 CB PHE A 387 -2.128 -13.732 15.000 1.00 0.00 C ATOM 102 CG PHE A 387 -2.531 -14.182 16.376 1.00 0.00 C ATOM 103 CD1 PHE A 387 -3.318 -15.310 16.547 1.00 0.00 C ATOM 104 CD2 PHE A 387 -2.124 -13.477 17.497 1.00 0.00 C ATOM 105 CE1 PHE A 387 -3.692 -15.726 17.810 1.00 0.00 C ATOM 106 CE2 PHE A 387 -2.494 -13.889 18.763 1.00 0.00 C ATOM 107 CZ PHE A 387 -3.278 -15.015 18.920 1.00 0.00 C ATOM 0 H PHE A 387 0.496 -13.145 15.402 1.00 0.00 H new ATOM 0 HA PHE A 387 -1.036 -15.510 14.483 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -1.955 -12.656 15.014 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -2.953 -13.913 14.311 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -3.643 -15.870 15.683 1.00 0.00 H new ATOM 0 HD2 PHE A 387 -1.511 -12.596 17.380 1.00 0.00 H new ATOM 0 HE1 PHE A 387 -4.307 -16.606 17.930 1.00 0.00 H new ATOM 0 HE2 PHE A 387 -2.170 -13.331 19.629 1.00 0.00 H new ATOM 0 HZ PHE A 387 -3.567 -15.339 19.909 1.00 0.00 H new ATOM 117 N GLU A 388 -1.074 -14.797 12.082 1.00 0.00 N ATOM 118 CA GLU A 388 -0.882 -14.494 10.668 1.00 0.00 C ATOM 119 C GLU A 388 -2.223 -14.341 9.958 1.00 0.00 C ATOM 120 O GLU A 388 -3.178 -15.062 10.249 1.00 0.00 O ATOM 121 CB GLU A 388 -0.059 -15.596 9.997 1.00 0.00 C ATOM 122 CG GLU A 388 1.330 -15.765 10.590 1.00 0.00 C ATOM 123 CD GLU A 388 2.155 -16.808 9.860 1.00 0.00 C ATOM 124 OE1 GLU A 388 1.577 -17.561 9.049 1.00 0.00 O ATOM 125 OE2 GLU A 388 3.378 -16.870 10.100 1.00 0.00 O ATOM 0 H GLU A 388 -1.590 -15.658 12.263 1.00 0.00 H new ATOM 0 HA GLU A 388 -0.342 -13.550 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -0.597 -16.540 10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 388 0.034 -15.373 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 388 1.852 -14.809 10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 388 1.241 -16.047 11.639 1.00 0.00 H new ATOM 132 N GLU A 389 -2.286 -13.398 9.024 1.00 0.00 N ATOM 133 CA GLU A 389 -3.509 -13.149 8.270 1.00 0.00 C ATOM 134 C GLU A 389 -3.285 -13.374 6.778 1.00 0.00 C ATOM 135 O GLU A 389 -2.203 -13.102 6.256 1.00 0.00 O ATOM 136 CB GLU A 389 -4.003 -11.721 8.513 1.00 0.00 C ATOM 137 CG GLU A 389 -5.341 -11.420 7.859 1.00 0.00 C ATOM 138 CD GLU A 389 -6.488 -12.173 8.506 1.00 0.00 C ATOM 139 OE1 GLU A 389 -6.361 -12.542 9.693 1.00 0.00 O ATOM 140 OE2 GLU A 389 -7.510 -12.395 7.826 1.00 0.00 O ATOM 0 H GLU A 389 -1.504 -12.794 8.771 1.00 0.00 H new ATOM 0 HA GLU A 389 -4.267 -13.852 8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -4.087 -11.552 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -3.258 -11.019 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.536 -10.349 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -5.291 -11.680 6.802 1.00 0.00 H new ATOM 147 N VAL A 390 -4.310 -13.873 6.098 1.00 0.00 N ATOM 148 CA VAL A 390 -4.222 -14.134 4.667 1.00 0.00 C ATOM 149 C VAL A 390 -4.715 -12.938 3.858 1.00 0.00 C ATOM 150 O VAL A 390 -5.877 -12.544 3.958 1.00 0.00 O ATOM 151 CB VAL A 390 -5.036 -15.384 4.271 1.00 0.00 C ATOM 152 CG1 VAL A 390 -6.513 -15.184 4.578 1.00 0.00 C ATOM 153 CG2 VAL A 390 -4.828 -15.716 2.801 1.00 0.00 C ATOM 0 H VAL A 390 -5.212 -14.105 6.515 1.00 0.00 H new ATOM 0 HA VAL A 390 -3.170 -14.311 4.442 1.00 0.00 H new ATOM 0 HB VAL A 390 -4.679 -16.227 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -7.068 -16.077 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -6.642 -15.004 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -6.888 -14.328 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.410 -16.600 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -5.153 -14.875 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -3.771 -15.911 2.618 1.00 0.00 H new ATOM 163 N ALA A 391 -3.823 -12.365 3.057 1.00 0.00 N ATOM 164 CA ALA A 391 -4.166 -11.213 2.231 1.00 0.00 C ATOM 165 C ALA A 391 -3.001 -10.817 1.330 1.00 0.00 C ATOM 166 O ALA A 391 -1.838 -11.021 1.679 1.00 0.00 O ATOM 167 CB ALA A 391 -4.581 -10.040 3.106 1.00 0.00 C ATOM 0 H ALA A 391 -2.857 -12.679 2.962 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.006 -11.492 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -4.834 -9.188 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -5.449 -10.320 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -3.758 -9.770 3.768 1.00 0.00 H new ATOM 173 N ASP A 392 -3.321 -10.252 0.171 1.00 0.00 N ATOM 174 CA ASP A 392 -2.300 -9.829 -0.780 1.00 0.00 C ATOM 175 C ASP A 392 -1.959 -8.354 -0.591 1.00 0.00 C ATOM 176 O ASP A 392 -2.814 -7.483 -0.757 1.00 0.00 O ATOM 177 CB ASP A 392 -2.774 -10.076 -2.213 1.00 0.00 C ATOM 178 CG ASP A 392 -4.027 -9.290 -2.552 1.00 0.00 C ATOM 179 OD1 ASP A 392 -4.718 -8.840 -1.614 1.00 0.00 O ATOM 180 OD2 ASP A 392 -4.316 -9.126 -3.756 1.00 0.00 O ATOM 0 H ASP A 392 -4.279 -10.076 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 392 -1.401 -10.418 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -1.979 -9.804 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -2.968 -11.140 -2.350 1.00 0.00 H new ATOM 185 N ASP A 393 -0.706 -8.080 -0.244 1.00 0.00 N ATOM 186 CA ASP A 393 -0.252 -6.711 -0.032 1.00 0.00 C ATOM 187 C ASP A 393 0.834 -6.336 -1.038 1.00 0.00 C ATOM 188 O ASP A 393 1.634 -7.179 -1.443 1.00 0.00 O ATOM 189 CB ASP A 393 0.277 -6.541 1.393 1.00 0.00 C ATOM 190 CG ASP A 393 -0.768 -6.869 2.442 1.00 0.00 C ATOM 191 OD1 ASP A 393 -1.734 -7.589 2.111 1.00 0.00 O ATOM 192 OD2 ASP A 393 -0.621 -6.407 3.592 1.00 0.00 O ATOM 0 H ASP A 393 0.014 -8.789 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 393 -1.103 -6.046 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 393 1.144 -7.186 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 393 0.617 -5.515 1.531 1.00 0.00 H new ATOM 197 N PRO A 394 0.877 -5.058 -1.456 1.00 0.00 N ATOM 198 CA PRO A 394 1.872 -4.577 -2.419 1.00 0.00 C ATOM 199 C PRO A 394 3.268 -4.487 -1.813 1.00 0.00 C ATOM 200 O PRO A 394 3.424 -4.423 -0.594 1.00 0.00 O ATOM 201 CB PRO A 394 1.359 -3.185 -2.790 1.00 0.00 C ATOM 202 CG PRO A 394 0.579 -2.741 -1.602 1.00 0.00 C ATOM 203 CD PRO A 394 -0.039 -3.985 -1.023 1.00 0.00 C ATOM 0 HA PRO A 394 1.975 -5.250 -3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 394 2.182 -2.503 -3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 394 0.736 -3.218 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 394 1.224 -2.250 -0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -0.188 -2.020 -1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -0.108 -3.931 0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -1.050 -4.144 -1.399 1.00 0.00 H new ATOM 211 N ILE A 395 4.281 -4.479 -2.673 1.00 0.00 N ATOM 212 CA ILE A 395 5.665 -4.395 -2.222 1.00 0.00 C ATOM 213 C ILE A 395 6.190 -2.967 -2.330 1.00 0.00 C ATOM 214 O ILE A 395 5.900 -2.255 -3.291 1.00 0.00 O ATOM 215 CB ILE A 395 6.582 -5.331 -3.037 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.062 -6.768 -2.977 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.015 -5.259 -2.522 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.146 -7.385 -1.598 1.00 0.00 C ATOM 0 H ILE A 395 4.170 -4.530 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 395 5.677 -4.708 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 395 6.575 -5.003 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.024 -6.784 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 395 6.631 -7.381 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 395 8.647 -5.926 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.383 -4.237 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.041 -5.563 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 395 5.760 -8.404 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.185 -7.401 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.553 -6.795 -0.899 1.00 0.00 H new ATOM 230 N VAL A 396 6.968 -2.559 -1.335 1.00 0.00 N ATOM 231 CA VAL A 396 7.544 -1.222 -1.304 1.00 0.00 C ATOM 232 C VAL A 396 9.067 -1.291 -1.267 1.00 0.00 C ATOM 233 O VAL A 396 9.641 -2.176 -0.631 1.00 0.00 O ATOM 234 CB VAL A 396 7.042 -0.426 -0.082 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.493 -1.085 1.213 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.518 1.018 -0.150 1.00 0.00 C ATOM 0 H VAL A 396 7.215 -3.140 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 396 7.227 -0.711 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 396 5.952 -0.425 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.128 -0.507 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.093 -2.098 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.582 -1.123 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.153 1.563 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.608 1.042 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.134 1.485 -1.057 1.00 0.00 H new ATOM 246 N MET A 397 9.719 -0.358 -1.948 1.00 0.00 N ATOM 247 CA MET A 397 11.175 -0.324 -1.984 1.00 0.00 C ATOM 248 C MET A 397 11.723 0.516 -0.834 1.00 0.00 C ATOM 249 O MET A 397 11.522 1.730 -0.789 1.00 0.00 O ATOM 250 CB MET A 397 11.661 0.240 -3.320 1.00 0.00 C ATOM 251 CG MET A 397 11.117 -0.506 -4.528 1.00 0.00 C ATOM 252 SD MET A 397 12.308 -1.669 -5.222 1.00 0.00 S ATOM 253 CE MET A 397 12.202 -3.007 -4.036 1.00 0.00 C ATOM 0 H MET A 397 9.265 0.383 -2.481 1.00 0.00 H new ATOM 0 HA MET A 397 11.542 -1.344 -1.876 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.371 1.288 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.750 0.208 -3.344 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.214 -1.045 -4.241 1.00 0.00 H new ATOM 0 HG3 MET A 397 10.829 0.213 -5.295 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.933 -3.775 -4.288 1.00 0.00 H new ATOM 0 HE2 MET A 397 12.407 -2.624 -3.036 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.201 -3.437 -4.061 1.00 0.00 H new ATOM 263 N VAL A 398 12.419 -0.137 0.091 1.00 0.00 N ATOM 264 CA VAL A 398 12.998 0.552 1.238 1.00 0.00 C ATOM 265 C VAL A 398 14.522 0.497 1.194 1.00 0.00 C ATOM 266 O VAL A 398 15.111 -0.580 1.098 1.00 0.00 O ATOM 267 CB VAL A 398 12.515 -0.055 2.568 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.007 0.779 3.743 1.00 0.00 C ATOM 269 CG2 VAL A 398 10.998 -0.170 2.585 1.00 0.00 C ATOM 0 H VAL A 398 12.595 -1.141 0.069 1.00 0.00 H new ATOM 0 HA VAL A 398 12.667 1.589 1.183 1.00 0.00 H new ATOM 0 HB VAL A 398 12.932 -1.058 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.657 0.336 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.097 0.804 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.620 1.794 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.676 -0.601 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.557 0.820 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.673 -0.811 1.766 1.00 0.00 H new ATOM 279 N ALA A 399 15.155 1.663 1.266 1.00 0.00 N ATOM 280 CA ALA A 399 16.612 1.746 1.234 1.00 0.00 C ATOM 281 C ALA A 399 17.181 1.053 -0.001 1.00 0.00 C ATOM 282 O ALA A 399 18.335 0.624 -0.006 1.00 0.00 O ATOM 283 CB ALA A 399 17.199 1.141 2.500 1.00 0.00 C ATOM 0 H ALA A 399 14.683 2.564 1.347 1.00 0.00 H new ATOM 0 HA ALA A 399 16.889 2.799 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.286 1.208 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.829 1.686 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.903 0.095 2.575 1.00 0.00 H new ATOM 289 N GLY A 400 16.367 0.948 -1.047 1.00 0.00 N ATOM 290 CA GLY A 400 16.812 0.308 -2.271 1.00 0.00 C ATOM 291 C GLY A 400 16.606 -1.196 -2.256 1.00 0.00 C ATOM 292 O GLY A 400 17.239 -1.922 -3.024 1.00 0.00 O ATOM 0 H GLY A 400 15.408 1.295 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.273 0.736 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.869 0.524 -2.425 1.00 0.00 H new ATOM 296 N ARG A 401 15.721 -1.667 -1.382 1.00 0.00 N ATOM 297 CA ARG A 401 15.438 -3.095 -1.278 1.00 0.00 C ATOM 298 C ARG A 401 13.938 -3.343 -1.144 1.00 0.00 C ATOM 299 O ARG A 401 13.198 -2.473 -0.689 1.00 0.00 O ATOM 300 CB ARG A 401 16.176 -3.694 -0.079 1.00 0.00 C ATOM 301 CG ARG A 401 17.649 -3.959 -0.340 1.00 0.00 C ATOM 302 CD ARG A 401 18.413 -4.186 0.954 1.00 0.00 C ATOM 303 NE ARG A 401 19.491 -5.158 0.790 1.00 0.00 N ATOM 304 CZ ARG A 401 20.104 -5.765 1.804 1.00 0.00 C ATOM 305 NH1 ARG A 401 19.747 -5.503 3.055 1.00 0.00 N ATOM 306 NH2 ARG A 401 21.075 -6.636 1.566 1.00 0.00 N ATOM 0 H ARG A 401 15.189 -1.083 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 401 15.787 -3.579 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.082 -3.016 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.692 -4.629 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.754 -4.833 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.082 -3.114 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 401 18.828 -3.240 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.725 -4.534 1.725 1.00 0.00 H new ATOM 0 HE ARG A 401 19.792 -5.385 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.000 -4.834 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 401 20.219 -5.970 3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 401 21.352 -6.841 0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 401 21.545 -7.101 2.343 1.00 0.00 H new ATOM 320 N PRO A 402 13.465 -4.538 -1.545 1.00 0.00 N ATOM 321 CA PRO A 402 12.044 -4.891 -1.469 1.00 0.00 C ATOM 322 C PRO A 402 11.569 -5.076 -0.030 1.00 0.00 C ATOM 323 O PRO A 402 12.242 -5.714 0.780 1.00 0.00 O ATOM 324 CB PRO A 402 11.950 -6.221 -2.235 1.00 0.00 C ATOM 325 CG PRO A 402 13.262 -6.380 -2.931 1.00 0.00 C ATOM 326 CD PRO A 402 14.266 -5.632 -2.106 1.00 0.00 C ATOM 0 HA PRO A 402 11.414 -4.104 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.764 -7.052 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.127 -6.204 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.533 -7.432 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.216 -5.981 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 402 14.699 -6.259 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.093 -5.260 -2.712 1.00 0.00 H new ATOM 334 N PHE A 403 10.403 -4.519 0.273 1.00 0.00 N ATOM 335 CA PHE A 403 9.823 -4.622 1.609 1.00 0.00 C ATOM 336 C PHE A 403 8.303 -4.580 1.534 1.00 0.00 C ATOM 337 O PHE A 403 7.736 -4.045 0.583 1.00 0.00 O ATOM 338 CB PHE A 403 10.332 -3.487 2.500 1.00 0.00 C ATOM 339 CG PHE A 403 11.681 -3.756 3.102 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.834 -3.569 2.359 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.795 -4.194 4.413 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.078 -3.815 2.910 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.036 -4.441 4.969 1.00 0.00 C ATOM 344 CZ PHE A 403 14.178 -4.251 4.217 1.00 0.00 C ATOM 0 H PHE A 403 9.838 -3.989 -0.390 1.00 0.00 H new ATOM 0 HA PHE A 403 10.128 -5.575 2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.381 -2.570 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.613 -3.315 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.761 -3.227 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.905 -4.344 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.970 -3.667 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.112 -4.782 5.991 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.149 -4.443 4.650 1.00 0.00 H new ATOM 354 N SER A 404 7.643 -5.142 2.538 1.00 0.00 N ATOM 355 CA SER A 404 6.186 -5.156 2.571 1.00 0.00 C ATOM 356 C SER A 404 5.648 -3.817 3.063 1.00 0.00 C ATOM 357 O SER A 404 6.150 -3.257 4.039 1.00 0.00 O ATOM 358 CB SER A 404 5.683 -6.286 3.472 1.00 0.00 C ATOM 359 OG SER A 404 5.720 -5.907 4.836 1.00 0.00 O ATOM 0 H SER A 404 8.090 -5.592 3.337 1.00 0.00 H new ATOM 0 HA SER A 404 5.823 -5.326 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.663 -6.551 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.296 -7.175 3.322 1.00 0.00 H new ATOM 0 HG SER A 404 5.531 -6.687 5.398 1.00 0.00 H new ATOM 365 N TYR A 405 4.629 -3.305 2.381 1.00 0.00 N ATOM 366 CA TYR A 405 4.028 -2.028 2.748 1.00 0.00 C ATOM 367 C TYR A 405 3.560 -2.041 4.200 1.00 0.00 C ATOM 368 O TYR A 405 3.709 -1.053 4.920 1.00 0.00 O ATOM 369 CB TYR A 405 2.853 -1.708 1.824 1.00 0.00 C ATOM 370 CG TYR A 405 2.308 -0.308 1.999 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.952 0.784 1.429 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.153 -0.078 2.736 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.460 2.065 1.588 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.654 1.201 2.898 1.00 0.00 C ATOM 375 CZ TYR A 405 1.311 2.268 2.323 1.00 0.00 C ATOM 376 OH TYR A 405 0.817 3.542 2.482 1.00 0.00 O ATOM 0 H TYR A 405 4.202 -3.755 1.571 1.00 0.00 H new ATOM 0 HA TYR A 405 4.788 -1.255 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.169 -1.839 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.053 -2.426 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.852 0.628 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.637 -0.911 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.972 2.903 1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.246 1.364 3.472 1.00 0.00 H new ATOM 0 HH TYR A 405 0.002 3.511 3.025 1.00 0.00 H new ATOM 386 N SER A 406 2.997 -3.166 4.625 1.00 0.00 N ATOM 387 CA SER A 406 2.509 -3.308 5.992 1.00 0.00 C ATOM 388 C SER A 406 3.658 -3.214 6.992 1.00 0.00 C ATOM 389 O SER A 406 3.509 -2.634 8.068 1.00 0.00 O ATOM 390 CB SER A 406 1.779 -4.641 6.159 1.00 0.00 C ATOM 391 OG SER A 406 0.740 -4.777 5.206 1.00 0.00 O ATOM 0 H SER A 406 2.867 -3.993 4.043 1.00 0.00 H new ATOM 0 HA SER A 406 1.812 -2.494 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.487 -5.463 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.365 -4.709 7.165 1.00 0.00 H new ATOM 0 HG SER A 406 0.671 -5.714 4.929 1.00 0.00 H new ATOM 397 N GLU A 407 4.800 -3.789 6.632 1.00 0.00 N ATOM 398 CA GLU A 407 5.972 -3.771 7.500 1.00 0.00 C ATOM 399 C GLU A 407 6.515 -2.358 7.660 1.00 0.00 C ATOM 400 O GLU A 407 7.099 -2.017 8.689 1.00 0.00 O ATOM 401 CB GLU A 407 7.061 -4.691 6.944 1.00 0.00 C ATOM 402 CG GLU A 407 8.304 -4.757 7.816 1.00 0.00 C ATOM 403 CD GLU A 407 8.055 -5.464 9.134 1.00 0.00 C ATOM 404 OE1 GLU A 407 7.117 -6.285 9.199 1.00 0.00 O ATOM 405 OE2 GLU A 407 8.797 -5.195 10.102 1.00 0.00 O ATOM 0 H GLU A 407 4.939 -4.273 5.745 1.00 0.00 H new ATOM 0 HA GLU A 407 5.667 -4.133 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.653 -5.695 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.343 -4.347 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 407 9.096 -5.274 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.660 -3.746 8.012 1.00 0.00 H new ATOM 412 N VAL A 408 6.320 -1.539 6.636 1.00 0.00 N ATOM 413 CA VAL A 408 6.789 -0.159 6.661 1.00 0.00 C ATOM 414 C VAL A 408 6.025 0.659 7.697 1.00 0.00 C ATOM 415 O VAL A 408 6.622 1.385 8.492 1.00 0.00 O ATOM 416 CB VAL A 408 6.643 0.512 5.279 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.191 1.931 5.310 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.338 -0.314 4.204 1.00 0.00 C ATOM 0 H VAL A 408 5.840 -1.806 5.776 1.00 0.00 H new ATOM 0 HA VAL A 408 7.845 -0.187 6.930 1.00 0.00 H new ATOM 0 HB VAL A 408 5.582 0.564 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.078 2.386 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.641 2.517 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.247 1.908 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.223 0.176 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.398 -0.403 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.891 -1.307 4.162 1.00 0.00 H new ATOM 428 N SER A 409 4.701 0.537 7.682 1.00 0.00 N ATOM 429 CA SER A 409 3.856 1.267 8.621 1.00 0.00 C ATOM 430 C SER A 409 4.145 0.843 10.056 1.00 0.00 C ATOM 431 O SER A 409 4.033 1.641 10.987 1.00 0.00 O ATOM 432 CB SER A 409 2.379 1.041 8.295 1.00 0.00 C ATOM 433 OG SER A 409 1.548 1.860 9.100 1.00 0.00 O ATOM 0 H SER A 409 4.191 -0.060 7.031 1.00 0.00 H new ATOM 0 HA SER A 409 4.082 2.329 8.524 1.00 0.00 H new ATOM 0 HB2 SER A 409 2.198 1.258 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.125 -0.007 8.453 1.00 0.00 H new ATOM 0 HG SER A 409 0.609 1.698 8.871 1.00 0.00 H new ATOM 439 N GLN A 410 4.516 -0.417 10.222 1.00 0.00 N ATOM 440 CA GLN A 410 4.826 -0.958 11.540 1.00 0.00 C ATOM 441 C GLN A 410 6.171 -0.442 12.039 1.00 0.00 C ATOM 442 O GLN A 410 6.408 -0.354 13.244 1.00 0.00 O ATOM 443 CB GLN A 410 4.834 -2.487 11.501 1.00 0.00 C ATOM 444 CG GLN A 410 3.466 -3.096 11.243 1.00 0.00 C ATOM 445 CD GLN A 410 3.485 -4.612 11.286 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.495 -5.213 12.360 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.493 -5.237 10.115 1.00 0.00 N ATOM 0 H GLN A 410 4.611 -1.087 9.459 1.00 0.00 H new ATOM 0 HA GLN A 410 4.052 -0.625 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.523 -2.819 10.724 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.218 -2.864 12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.761 -2.724 11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.104 -2.768 10.268 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.484 -4.698 9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.508 -6.256 10.081 1.00 0.00 H new ATOM 456 N ARG A 411 7.046 -0.101 11.103 1.00 0.00 N ATOM 457 CA ARG A 411 8.370 0.408 11.436 1.00 0.00 C ATOM 458 C ARG A 411 8.607 1.769 10.785 1.00 0.00 C ATOM 459 O ARG A 411 9.013 1.846 9.625 1.00 0.00 O ATOM 460 CB ARG A 411 9.446 -0.580 10.984 1.00 0.00 C ATOM 461 CG ARG A 411 9.545 -1.817 11.863 1.00 0.00 C ATOM 462 CD ARG A 411 10.749 -2.667 11.491 1.00 0.00 C ATOM 463 NE ARG A 411 10.843 -3.871 12.315 1.00 0.00 N ATOM 464 CZ ARG A 411 11.318 -3.884 13.558 1.00 0.00 C ATOM 465 NH1 ARG A 411 11.745 -2.761 14.124 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.368 -5.022 14.237 1.00 0.00 N ATOM 0 H ARG A 411 6.862 -0.168 10.102 1.00 0.00 H new ATOM 0 HA ARG A 411 8.427 0.527 12.518 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.237 -0.888 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.411 -0.074 10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.618 -1.517 12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.635 -2.409 11.764 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.682 -2.950 10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.659 -2.077 11.605 1.00 0.00 H new ATOM 0 HE ARG A 411 10.526 -4.753 11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 411 11.710 -1.883 13.606 1.00 0.00 H new ATOM 0 HH12 ARG A 411 12.108 -2.776 15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 411 11.042 -5.887 13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 411 11.732 -5.032 15.190 1.00 0.00 H new ATOM 480 N PRO A 412 8.357 2.868 11.520 1.00 0.00 N ATOM 481 CA PRO A 412 8.547 4.226 10.997 1.00 0.00 C ATOM 482 C PRO A 412 9.996 4.495 10.604 1.00 0.00 C ATOM 483 O PRO A 412 10.270 5.342 9.755 1.00 0.00 O ATOM 484 CB PRO A 412 8.129 5.132 12.161 1.00 0.00 C ATOM 485 CG PRO A 412 8.200 4.268 13.374 1.00 0.00 C ATOM 486 CD PRO A 412 7.871 2.878 12.911 1.00 0.00 C ATOM 0 HA PRO A 412 7.967 4.393 10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.794 5.991 12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.122 5.522 12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 412 9.193 4.305 13.822 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.494 4.604 14.134 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.369 2.122 13.518 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.801 2.677 12.966 1.00 0.00 H new ATOM 494 N GLU A 413 10.919 3.770 11.227 1.00 0.00 N ATOM 495 CA GLU A 413 12.340 3.933 10.938 1.00 0.00 C ATOM 496 C GLU A 413 12.646 3.569 9.491 1.00 0.00 C ATOM 497 O GLU A 413 13.588 4.089 8.893 1.00 0.00 O ATOM 498 CB GLU A 413 13.179 3.072 11.884 1.00 0.00 C ATOM 499 CG GLU A 413 14.676 3.288 11.735 1.00 0.00 C ATOM 500 CD GLU A 413 15.492 2.357 12.612 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.888 1.516 13.312 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.736 2.467 12.598 1.00 0.00 O ATOM 0 H GLU A 413 10.710 3.065 11.934 1.00 0.00 H new ATOM 0 HA GLU A 413 12.597 4.981 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.889 3.289 12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.952 2.021 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.958 3.139 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.917 4.321 11.986 1.00 0.00 H new ATOM 509 N LEU A 414 11.843 2.672 8.934 1.00 0.00 N ATOM 510 CA LEU A 414 12.023 2.236 7.554 1.00 0.00 C ATOM 511 C LEU A 414 11.734 3.375 6.585 1.00 0.00 C ATOM 512 O LEU A 414 12.441 3.555 5.593 1.00 0.00 O ATOM 513 CB LEU A 414 11.110 1.045 7.249 1.00 0.00 C ATOM 514 CG LEU A 414 11.358 -0.200 8.102 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.487 -1.353 7.629 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.829 -0.590 8.063 1.00 0.00 C ATOM 0 H LEU A 414 11.060 2.231 9.416 1.00 0.00 H new ATOM 0 HA LEU A 414 13.061 1.929 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.074 1.358 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.228 0.776 6.199 1.00 0.00 H new ATOM 0 HG LEU A 414 11.091 0.031 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.677 -2.230 8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.437 -1.073 7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.722 -1.584 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.986 -1.478 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.122 -0.802 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.433 0.230 8.451 1.00 0.00 H new ATOM 528 N VAL A 415 10.693 4.147 6.880 1.00 0.00 N ATOM 529 CA VAL A 415 10.314 5.272 6.035 1.00 0.00 C ATOM 530 C VAL A 415 11.424 6.316 5.997 1.00 0.00 C ATOM 531 O VAL A 415 11.667 6.941 4.965 1.00 0.00 O ATOM 532 CB VAL A 415 9.012 5.932 6.526 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.563 7.020 5.561 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.921 4.887 6.708 1.00 0.00 C ATOM 0 H VAL A 415 10.098 4.014 7.697 1.00 0.00 H new ATOM 0 HA VAL A 415 10.150 4.880 5.031 1.00 0.00 H new ATOM 0 HB VAL A 415 9.205 6.397 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.642 7.473 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.338 7.783 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.387 6.584 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 415 7.008 5.371 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.730 4.391 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.243 4.149 7.443 1.00 0.00 H new ATOM 544 N ALA A 416 12.098 6.496 7.129 1.00 0.00 N ATOM 545 CA ALA A 416 13.186 7.460 7.222 1.00 0.00 C ATOM 546 C ALA A 416 14.356 7.046 6.341 1.00 0.00 C ATOM 547 O ALA A 416 15.105 7.887 5.843 1.00 0.00 O ATOM 548 CB ALA A 416 13.636 7.615 8.667 1.00 0.00 C ATOM 0 H ALA A 416 11.909 5.987 7.993 1.00 0.00 H new ATOM 0 HA ALA A 416 12.819 8.423 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.449 8.339 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.800 7.964 9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.981 6.653 9.046 1.00 0.00 H new ATOM 554 N GLN A 417 14.502 5.742 6.150 1.00 0.00 N ATOM 555 CA GLN A 417 15.575 5.201 5.324 1.00 0.00 C ATOM 556 C GLN A 417 15.224 5.291 3.841 1.00 0.00 C ATOM 557 O GLN A 417 16.101 5.226 2.981 1.00 0.00 O ATOM 558 CB GLN A 417 15.859 3.747 5.706 1.00 0.00 C ATOM 559 CG GLN A 417 16.369 3.580 7.128 1.00 0.00 C ATOM 560 CD GLN A 417 16.596 2.127 7.498 1.00 0.00 C ATOM 561 OE1 GLN A 417 16.097 1.219 6.832 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.350 1.899 8.567 1.00 0.00 N ATOM 0 H GLN A 417 13.889 5.036 6.557 1.00 0.00 H new ATOM 0 HA GLN A 417 16.470 5.798 5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.946 3.163 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.594 3.335 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.303 4.131 7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.652 4.020 7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.744 2.681 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.536 0.941 8.865 1.00 0.00 H new ATOM 571 N MET A 418 13.935 5.440 3.552 1.00 0.00 N ATOM 572 CA MET A 418 13.466 5.538 2.174 1.00 0.00 C ATOM 573 C MET A 418 13.884 6.864 1.546 1.00 0.00 C ATOM 574 O MET A 418 13.635 7.932 2.105 1.00 0.00 O ATOM 575 CB MET A 418 11.944 5.402 2.123 1.00 0.00 C ATOM 576 CG MET A 418 11.463 3.967 2.002 1.00 0.00 C ATOM 577 SD MET A 418 9.778 3.851 1.370 1.00 0.00 S ATOM 578 CE MET A 418 9.039 2.752 2.577 1.00 0.00 C ATOM 0 H MET A 418 13.197 5.496 4.254 1.00 0.00 H new ATOM 0 HA MET A 418 13.921 4.727 1.606 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.518 5.844 3.024 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.565 5.975 1.277 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.133 3.418 1.341 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.514 3.487 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.836 1.786 2.114 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.725 2.617 3.414 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.106 3.184 2.939 1.00 0.00 H new ATOM 588 N THR A 419 14.511 6.789 0.377 1.00 0.00 N ATOM 589 CA THR A 419 14.951 7.987 -0.330 1.00 0.00 C ATOM 590 C THR A 419 13.742 8.774 -0.835 1.00 0.00 C ATOM 591 O THR A 419 12.611 8.299 -0.751 1.00 0.00 O ATOM 592 CB THR A 419 15.868 7.614 -1.499 1.00 0.00 C ATOM 593 OG1 THR A 419 15.108 7.244 -2.635 1.00 0.00 O ATOM 594 CG2 THR A 419 16.810 6.471 -1.185 1.00 0.00 C ATOM 0 H THR A 419 14.726 5.914 -0.100 1.00 0.00 H new ATOM 0 HA THR A 419 15.513 8.613 0.363 1.00 0.00 H new ATOM 0 HB THR A 419 16.461 8.507 -1.694 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.712 7.011 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.429 6.260 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.448 6.745 -0.345 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.232 5.583 -0.927 1.00 0.00 H new ATOM 602 N PRO A 420 13.959 9.989 -1.366 1.00 0.00 N ATOM 603 CA PRO A 420 12.867 10.826 -1.874 1.00 0.00 C ATOM 604 C PRO A 420 11.995 10.087 -2.882 1.00 0.00 C ATOM 605 O PRO A 420 10.783 9.977 -2.700 1.00 0.00 O ATOM 606 CB PRO A 420 13.593 11.996 -2.541 1.00 0.00 C ATOM 607 CG PRO A 420 14.911 12.065 -1.850 1.00 0.00 C ATOM 608 CD PRO A 420 15.271 10.646 -1.508 1.00 0.00 C ATOM 0 HA PRO A 420 12.184 11.133 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.715 11.828 -3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.036 12.926 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.667 12.515 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.850 12.680 -0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.870 10.183 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.851 10.589 -0.587 1.00 0.00 H new ATOM 616 N GLU A 421 12.614 9.571 -3.938 1.00 0.00 N ATOM 617 CA GLU A 421 11.879 8.834 -4.958 1.00 0.00 C ATOM 618 C GLU A 421 11.182 7.635 -4.332 1.00 0.00 C ATOM 619 O GLU A 421 10.026 7.341 -4.640 1.00 0.00 O ATOM 620 CB GLU A 421 12.824 8.372 -6.070 1.00 0.00 C ATOM 621 CG GLU A 421 13.459 9.517 -6.843 1.00 0.00 C ATOM 622 CD GLU A 421 14.339 9.036 -7.981 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.641 7.825 -8.028 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.728 9.871 -8.824 1.00 0.00 O ATOM 0 H GLU A 421 13.617 9.649 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 421 11.129 9.494 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.612 7.758 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.273 7.738 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.675 10.160 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.053 10.125 -6.161 1.00 0.00 H new ATOM 631 N GLU A 422 11.888 6.956 -3.432 1.00 0.00 N ATOM 632 CA GLU A 422 11.334 5.801 -2.744 1.00 0.00 C ATOM 633 C GLU A 422 10.162 6.225 -1.867 1.00 0.00 C ATOM 634 O GLU A 422 9.195 5.481 -1.703 1.00 0.00 O ATOM 635 CB GLU A 422 12.406 5.118 -1.895 1.00 0.00 C ATOM 636 CG GLU A 422 13.417 4.330 -2.712 1.00 0.00 C ATOM 637 CD GLU A 422 14.501 3.702 -1.856 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.576 4.033 -0.654 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.275 2.878 -2.388 1.00 0.00 O ATOM 0 H GLU A 422 12.844 7.188 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 422 10.978 5.091 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 422 12.932 5.874 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 422 11.923 4.447 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 422 12.899 3.548 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.877 4.990 -3.447 1.00 0.00 H new ATOM 646 N LYS A 423 10.250 7.433 -1.315 1.00 0.00 N ATOM 647 CA LYS A 423 9.189 7.958 -0.468 1.00 0.00 C ATOM 648 C LYS A 423 7.911 8.138 -1.278 1.00 0.00 C ATOM 649 O LYS A 423 6.811 7.874 -0.793 1.00 0.00 O ATOM 650 CB LYS A 423 9.610 9.292 0.150 1.00 0.00 C ATOM 651 CG LYS A 423 8.597 9.854 1.134 1.00 0.00 C ATOM 652 CD LYS A 423 8.610 9.087 2.446 1.00 0.00 C ATOM 653 CE LYS A 423 7.653 9.697 3.457 1.00 0.00 C ATOM 654 NZ LYS A 423 8.143 11.008 3.966 1.00 0.00 N ATOM 0 H LYS A 423 11.043 8.062 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 423 9.002 7.245 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.565 9.162 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.771 10.018 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.817 10.905 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.600 9.811 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 423 8.335 8.048 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.620 9.082 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 423 6.674 9.830 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.521 9.010 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.546 11.318 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.126 10.909 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.100 11.714 3.204 1.00 0.00 H new ATOM 668 N GLU A 424 8.070 8.578 -2.523 1.00 0.00 N ATOM 669 CA GLU A 424 6.935 8.785 -3.411 1.00 0.00 C ATOM 670 C GLU A 424 6.255 7.459 -3.729 1.00 0.00 C ATOM 671 O GLU A 424 5.031 7.356 -3.688 1.00 0.00 O ATOM 672 CB GLU A 424 7.391 9.467 -4.703 1.00 0.00 C ATOM 673 CG GLU A 424 7.544 10.975 -4.574 1.00 0.00 C ATOM 674 CD GLU A 424 7.952 11.634 -5.877 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.350 10.908 -6.813 1.00 0.00 O ATOM 676 OE2 GLU A 424 7.877 12.878 -5.961 1.00 0.00 O ATOM 0 H GLU A 424 8.975 8.798 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 424 6.216 9.431 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.344 9.039 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.672 9.249 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.602 11.404 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.289 11.197 -3.810 1.00 0.00 H new ATOM 683 N ALA A 425 7.057 6.443 -4.032 1.00 0.00 N ATOM 684 CA ALA A 425 6.523 5.121 -4.342 1.00 0.00 C ATOM 685 C ALA A 425 5.692 4.595 -3.180 1.00 0.00 C ATOM 686 O ALA A 425 4.737 3.842 -3.370 1.00 0.00 O ATOM 687 CB ALA A 425 7.651 4.155 -4.673 1.00 0.00 C ATOM 0 H ALA A 425 8.074 6.509 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 425 5.876 5.207 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.235 3.174 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.205 4.524 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.323 4.074 -3.819 1.00 0.00 H new ATOM 693 N TYR A 426 6.060 5.014 -1.979 1.00 0.00 N ATOM 694 CA TYR A 426 5.355 4.612 -0.769 1.00 0.00 C ATOM 695 C TYR A 426 3.976 5.249 -0.729 1.00 0.00 C ATOM 696 O TYR A 426 2.974 4.591 -0.447 1.00 0.00 O ATOM 697 CB TYR A 426 6.143 5.051 0.462 1.00 0.00 C ATOM 698 CG TYR A 426 5.537 4.597 1.770 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.386 3.248 2.060 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.117 5.524 2.716 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.831 2.834 3.257 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.563 5.119 3.915 1.00 0.00 C ATOM 703 CZ TYR A 426 4.422 3.774 4.181 1.00 0.00 C ATOM 704 OH TYR A 426 3.870 3.366 5.373 1.00 0.00 O ATOM 0 H TYR A 426 6.850 5.638 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 426 5.253 3.527 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.159 4.662 0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.217 6.138 0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.707 2.510 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.225 6.579 2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.718 1.781 3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.242 5.852 4.640 1.00 0.00 H new ATOM 0 HH TYR A 426 3.637 4.151 5.911 1.00 0.00 H new ATOM 714 N ILE A 427 3.947 6.544 -1.004 1.00 0.00 N ATOM 715 CA ILE A 427 2.715 7.312 -0.997 1.00 0.00 C ATOM 716 C ILE A 427 1.882 7.046 -2.248 1.00 0.00 C ATOM 717 O ILE A 427 0.652 7.061 -2.199 1.00 0.00 O ATOM 718 CB ILE A 427 3.026 8.817 -0.890 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.743 9.113 0.431 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.752 9.635 -0.999 1.00 0.00 C ATOM 721 CD1 ILE A 427 4.993 9.949 0.267 1.00 0.00 C ATOM 0 H ILE A 427 4.776 7.090 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 427 2.135 6.998 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 427 3.681 9.097 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.055 9.630 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.007 8.171 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 427 1.993 10.695 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.276 9.441 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.071 9.357 -0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.448 10.119 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.700 9.425 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.734 10.907 -0.184 1.00 0.00 H new ATOM 733 N ALA A 428 2.555 6.810 -3.367 1.00 0.00 N ATOM 734 CA ALA A 428 1.872 6.549 -4.626 1.00 0.00 C ATOM 735 C ALA A 428 1.095 5.237 -4.572 1.00 0.00 C ATOM 736 O ALA A 428 -0.063 5.174 -4.988 1.00 0.00 O ATOM 737 CB ALA A 428 2.871 6.524 -5.773 1.00 0.00 C ATOM 0 H ALA A 428 3.573 6.794 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 428 1.159 7.356 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.346 6.328 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.377 7.487 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.606 5.739 -5.598 1.00 0.00 H new ATOM 743 N MET A 429 1.736 4.193 -4.057 1.00 0.00 N ATOM 744 CA MET A 429 1.101 2.883 -3.951 1.00 0.00 C ATOM 745 C MET A 429 -0.154 2.954 -3.086 1.00 0.00 C ATOM 746 O MET A 429 -1.138 2.262 -3.345 1.00 0.00 O ATOM 747 CB MET A 429 2.079 1.862 -3.370 1.00 0.00 C ATOM 748 CG MET A 429 3.138 1.401 -4.358 1.00 0.00 C ATOM 749 SD MET A 429 4.120 0.025 -3.731 1.00 0.00 S ATOM 750 CE MET A 429 4.845 0.765 -2.270 1.00 0.00 C ATOM 0 H MET A 429 2.693 4.228 -3.707 1.00 0.00 H new ATOM 0 HA MET A 429 0.812 2.567 -4.953 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.571 2.297 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.520 0.995 -3.019 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.656 1.104 -5.289 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.798 2.236 -4.593 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.922 0.864 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.408 1.750 -2.106 1.00 0.00 H new ATOM 0 HE3 MET A 429 4.647 0.132 -1.405 1.00 0.00 H new ATOM 760 N GLY A 430 -0.111 3.794 -2.057 1.00 0.00 N ATOM 761 CA GLY A 430 -1.252 3.938 -1.171 1.00 0.00 C ATOM 762 C GLY A 430 -2.507 4.367 -1.905 1.00 0.00 C ATOM 763 O GLY A 430 -3.583 3.811 -1.685 1.00 0.00 O ATOM 0 H GLY A 430 0.692 4.377 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -1.437 2.990 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -1.018 4.671 -0.399 1.00 0.00 H new ATOM 767 N GLN A 431 -2.367 5.357 -2.781 1.00 0.00 N ATOM 768 CA GLN A 431 -3.499 5.860 -3.553 1.00 0.00 C ATOM 769 C GLN A 431 -4.001 4.805 -4.532 1.00 0.00 C ATOM 770 O GLN A 431 -5.203 4.685 -4.770 1.00 0.00 O ATOM 771 CB GLN A 431 -3.102 7.129 -4.309 1.00 0.00 C ATOM 772 CG GLN A 431 -2.768 8.300 -3.400 1.00 0.00 C ATOM 773 CD GLN A 431 -2.330 9.529 -4.172 1.00 0.00 C ATOM 774 OE1 GLN A 431 -1.980 9.446 -5.349 1.00 0.00 O ATOM 775 NE2 GLN A 431 -2.345 10.680 -3.510 1.00 0.00 N ATOM 0 H GLN A 431 -1.482 5.827 -2.974 1.00 0.00 H new ATOM 0 HA GLN A 431 -4.305 6.097 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -2.240 6.912 -4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -3.917 7.416 -4.973 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -3.641 8.547 -2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -1.976 8.006 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -2.643 10.704 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -2.059 11.541 -3.977 1.00 0.00 H new ATOM 784 N ARG A 432 -3.073 4.042 -5.101 1.00 0.00 N ATOM 785 CA ARG A 432 -3.421 2.998 -6.058 1.00 0.00 C ATOM 786 C ARG A 432 -4.337 1.957 -5.421 1.00 0.00 C ATOM 787 O ARG A 432 -5.240 1.431 -6.071 1.00 0.00 O ATOM 788 CB ARG A 432 -2.155 2.322 -6.589 1.00 0.00 C ATOM 789 CG ARG A 432 -1.256 3.254 -7.384 1.00 0.00 C ATOM 790 CD ARG A 432 -0.058 2.516 -7.960 1.00 0.00 C ATOM 791 NE ARG A 432 0.921 3.431 -8.540 1.00 0.00 N ATOM 792 CZ ARG A 432 2.188 3.103 -8.789 1.00 0.00 C ATOM 793 NH1 ARG A 432 2.630 1.883 -8.509 1.00 0.00 N ATOM 794 NH2 ARG A 432 3.012 3.995 -9.318 1.00 0.00 N ATOM 0 H ARG A 432 -2.074 4.127 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 432 -3.953 3.464 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -1.591 1.915 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -2.440 1.480 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -1.827 3.710 -8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -0.911 4.064 -6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 432 0.417 1.927 -7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -0.396 1.816 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 432 0.617 4.377 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 432 1.999 1.193 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 432 3.601 1.636 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 432 2.677 4.934 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 432 3.982 3.743 -9.508 1.00 0.00 H new ATOM 808 N MET A 433 -4.098 1.666 -4.146 1.00 0.00 N ATOM 809 CA MET A 433 -4.902 0.686 -3.423 1.00 0.00 C ATOM 810 C MET A 433 -6.370 1.097 -3.393 1.00 0.00 C ATOM 811 O MET A 433 -7.261 0.254 -3.302 1.00 0.00 O ATOM 812 CB MET A 433 -4.377 0.515 -1.996 1.00 0.00 C ATOM 813 CG MET A 433 -2.994 -0.110 -1.930 1.00 0.00 C ATOM 814 SD MET A 433 -2.512 -0.552 -0.249 1.00 0.00 S ATOM 815 CE MET A 433 -2.516 1.055 0.539 1.00 0.00 C ATOM 0 H MET A 433 -3.356 2.094 -3.593 1.00 0.00 H new ATOM 0 HA MET A 433 -4.823 -0.266 -3.948 1.00 0.00 H new ATOM 0 HB2 MET A 433 -4.350 1.489 -1.508 1.00 0.00 H new ATOM 0 HB3 MET A 433 -5.074 -0.105 -1.433 1.00 0.00 H new ATOM 0 HG2 MET A 433 -2.972 -1.002 -2.557 1.00 0.00 H new ATOM 0 HG3 MET A 433 -2.264 0.587 -2.342 1.00 0.00 H new ATOM 0 HE1 MET A 433 -1.497 1.327 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 433 -2.915 1.798 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 433 -3.138 1.020 1.434 1.00 0.00 H new ATOM 825 N PHE A 434 -6.610 2.399 -3.471 1.00 0.00 N ATOM 826 CA PHE A 434 -7.969 2.930 -3.454 1.00 0.00 C ATOM 827 C PHE A 434 -8.427 3.305 -4.860 1.00 0.00 C ATOM 828 O PHE A 434 -9.298 4.158 -5.032 1.00 0.00 O ATOM 829 CB PHE A 434 -8.050 4.150 -2.535 1.00 0.00 C ATOM 830 CG PHE A 434 -9.456 4.552 -2.191 1.00 0.00 C ATOM 831 CD1 PHE A 434 -10.166 3.870 -1.216 1.00 0.00 C ATOM 832 CD2 PHE A 434 -10.067 5.612 -2.843 1.00 0.00 C ATOM 833 CE1 PHE A 434 -11.459 4.237 -0.897 1.00 0.00 C ATOM 834 CE2 PHE A 434 -11.361 5.984 -2.528 1.00 0.00 C ATOM 835 CZ PHE A 434 -12.057 5.295 -1.554 1.00 0.00 C ATOM 0 H PHE A 434 -5.881 3.109 -3.547 1.00 0.00 H new ATOM 0 HA PHE A 434 -8.631 2.152 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -7.506 3.938 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -7.548 4.990 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -9.703 3.042 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -9.526 6.153 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -12.002 3.697 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -11.827 6.812 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 434 -13.068 5.583 -1.306 1.00 0.00 H new ATOM 845 N GLU A 435 -7.838 2.662 -5.864 1.00 0.00 N ATOM 846 CA GLU A 435 -8.188 2.931 -7.255 1.00 0.00 C ATOM 847 C GLU A 435 -9.472 2.209 -7.649 1.00 0.00 C ATOM 848 O GLU A 435 -10.148 2.599 -8.601 1.00 0.00 O ATOM 849 CB GLU A 435 -7.046 2.510 -8.181 1.00 0.00 C ATOM 850 CG GLU A 435 -7.283 2.864 -9.639 1.00 0.00 C ATOM 851 CD GLU A 435 -7.233 4.359 -9.891 1.00 0.00 C ATOM 852 OE1 GLU A 435 -6.590 5.073 -9.095 1.00 0.00 O ATOM 853 OE2 GLU A 435 -7.838 4.814 -10.885 1.00 0.00 O ATOM 0 H GLU A 435 -7.117 1.952 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 435 -8.354 4.003 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -6.124 2.985 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -6.899 1.433 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -6.532 2.370 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -8.254 2.479 -9.949 1.00 0.00 H new ATOM 860 N ASP A 436 -9.803 1.154 -6.913 1.00 0.00 N ATOM 861 CA ASP A 436 -11.006 0.378 -7.187 1.00 0.00 C ATOM 862 C ASP A 436 -11.649 -0.105 -5.891 1.00 0.00 C ATOM 863 O ASP A 436 -11.478 -1.259 -5.493 1.00 0.00 O ATOM 864 CB ASP A 436 -10.674 -0.817 -8.083 1.00 0.00 C ATOM 865 CG ASP A 436 -9.563 -1.678 -7.516 1.00 0.00 C ATOM 866 OD1 ASP A 436 -9.157 -1.441 -6.359 1.00 0.00 O ATOM 867 OD2 ASP A 436 -9.096 -2.591 -8.231 1.00 0.00 O ATOM 0 H ASP A 436 -9.255 0.817 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 436 -11.716 1.024 -7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -11.568 -1.426 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -10.382 -0.457 -9.070 1.00 0.00 H new ATOM 872 N LEU A 437 -12.389 0.784 -5.237 1.00 0.00 N ATOM 873 CA LEU A 437 -13.059 0.448 -3.986 1.00 0.00 C ATOM 874 C LEU A 437 -14.416 1.138 -3.896 1.00 0.00 C ATOM 875 O LEU A 437 -14.559 2.166 -3.235 1.00 0.00 O ATOM 876 CB LEU A 437 -12.189 0.849 -2.794 1.00 0.00 C ATOM 877 CG LEU A 437 -12.425 0.040 -1.517 1.00 0.00 C ATOM 878 CD1 LEU A 437 -13.900 0.052 -1.142 1.00 0.00 C ATOM 879 CD2 LEU A 437 -11.930 -1.388 -1.693 1.00 0.00 C ATOM 0 H LEU A 437 -12.540 1.742 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 437 -13.217 -0.630 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 437 -11.142 0.751 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 437 -12.363 1.903 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 437 -11.861 0.503 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 437 -14.049 -0.528 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 437 -14.225 1.079 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 437 -14.485 -0.386 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 437 -12.105 -1.950 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 437 -12.467 -1.860 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 437 -10.863 -1.378 -1.914 1.00 0.00 H new ATOM 891 N PHE A 438 -15.411 0.565 -4.566 1.00 0.00 N ATOM 892 CA PHE A 438 -16.758 1.125 -4.562 1.00 0.00 C ATOM 893 C PHE A 438 -17.798 0.039 -4.306 1.00 0.00 C ATOM 894 O PHE A 438 -17.517 -1.150 -4.452 1.00 0.00 O ATOM 895 CB PHE A 438 -17.046 1.822 -5.893 1.00 0.00 C ATOM 896 CG PHE A 438 -17.029 0.891 -7.073 1.00 0.00 C ATOM 897 CD1 PHE A 438 -15.838 0.582 -7.711 1.00 0.00 C ATOM 898 CD2 PHE A 438 -18.204 0.328 -7.544 1.00 0.00 C ATOM 899 CE1 PHE A 438 -15.820 -0.273 -8.796 1.00 0.00 C ATOM 900 CE2 PHE A 438 -18.191 -0.528 -8.630 1.00 0.00 C ATOM 901 CZ PHE A 438 -16.997 -0.829 -9.256 1.00 0.00 C ATOM 0 H PHE A 438 -15.310 -0.286 -5.118 1.00 0.00 H new ATOM 0 HA PHE A 438 -16.819 1.857 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 438 -18.021 2.307 -5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 438 -16.307 2.608 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 438 -14.914 1.014 -7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 438 -19.140 0.560 -7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 438 -14.885 -0.506 -9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 438 -19.113 -0.961 -8.988 1.00 0.00 H new ATOM 0 HZ PHE A 438 -16.984 -1.498 -10.104 1.00 0.00 H new ATOM 911 N GLU A 439 -19.000 0.457 -3.922 1.00 0.00 N ATOM 912 CA GLU A 439 -20.083 -0.480 -3.646 1.00 0.00 C ATOM 913 C GLU A 439 -20.816 -0.858 -4.929 1.00 0.00 C ATOM 914 O GLU A 439 -21.264 -2.019 -5.033 1.00 0.00 O ATOM 915 CB GLU A 439 -21.065 0.126 -2.641 1.00 0.00 C ATOM 916 CG GLU A 439 -21.796 1.351 -3.167 1.00 0.00 C ATOM 917 CD GLU A 439 -22.665 2.008 -2.112 1.00 0.00 C ATOM 918 OE1 GLU A 439 -22.155 2.272 -1.003 1.00 0.00 O ATOM 919 OE2 GLU A 439 -23.855 2.259 -2.396 1.00 0.00 O ATOM 920 OXT GLU A 439 -20.937 0.010 -5.819 1.00 0.00 O ATOM 0 H GLU A 439 -19.248 1.438 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 439 -19.649 -1.384 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -21.797 -0.631 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -20.523 0.398 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -21.068 2.074 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -22.416 1.063 -4.016 1.00 0.00 H new TER 927 GLU A 439