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 Set 1.1: A 406 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 410 GLN : amide:sc= 0.00234 X(o=0.0023,f=0) USER MOD Single : A 397 MET CE :methyl -159:sc= -3.39! (180deg=-3.7) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -38:sc= 0.722 USER MOD Single : A 417 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.0027) USER MOD Single : A 418 MET CE :methyl -152:sc= -3.49! (180deg=-5.42!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 423 LYS NZ :NH3+ 147:sc= -3.56! (180deg=-4.61!) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl 158:sc= -3.81! (180deg=-4.88!) USER MOD Single : A 431 GLN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 433 MET CE :methyl -169:sc= 0 (180deg=-0.358) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 380 -14.330 -11.296 5.610 1.00 0.00 N ATOM 2 CA ASP A 380 -15.056 -11.928 6.742 1.00 0.00 C ATOM 3 C ASP A 380 -16.544 -11.593 6.699 1.00 0.00 C ATOM 4 O ASP A 380 -16.982 -10.594 7.268 1.00 0.00 O ATOM 5 CB ASP A 380 -14.442 -11.432 8.053 1.00 0.00 C ATOM 6 CG ASP A 380 -13.015 -11.908 8.240 1.00 0.00 C ATOM 7 OD1 ASP A 380 -12.606 -12.854 7.533 1.00 0.00 O ATOM 8 OD2 ASP A 380 -12.305 -11.335 9.094 1.00 0.00 O ATOM 0 HA ASP A 380 -14.961 -13.011 6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 380 -14.464 -10.342 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 380 -15.050 -11.778 8.889 1.00 0.00 H new ATOM 13 N GLU A 381 -17.315 -12.436 6.019 1.00 0.00 N ATOM 14 CA GLU A 381 -18.754 -12.229 5.900 1.00 0.00 C ATOM 15 C GLU A 381 -19.512 -13.121 6.879 1.00 0.00 C ATOM 16 O GLU A 381 -19.249 -14.319 6.973 1.00 0.00 O ATOM 17 CB GLU A 381 -19.214 -12.514 4.469 1.00 0.00 C ATOM 18 CG GLU A 381 -20.483 -11.774 4.079 1.00 0.00 C ATOM 19 CD GLU A 381 -20.240 -10.299 3.825 1.00 0.00 C ATOM 20 OE1 GLU A 381 -19.077 -9.925 3.566 1.00 0.00 O ATOM 21 OE2 GLU A 381 -21.213 -9.518 3.884 1.00 0.00 O ATOM 0 H GLU A 381 -16.968 -13.268 5.542 1.00 0.00 H new ATOM 0 HA GLU A 381 -18.970 -11.188 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 381 -18.417 -12.240 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 381 -19.379 -13.586 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 381 -20.904 -12.229 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 381 -21.223 -11.886 4.871 1.00 0.00 H new ATOM 28 N GLU A 382 -20.454 -12.527 7.606 1.00 0.00 N ATOM 29 CA GLU A 382 -21.248 -13.270 8.577 1.00 0.00 C ATOM 30 C GLU A 382 -22.685 -13.443 8.091 1.00 0.00 C ATOM 31 O GLU A 382 -23.075 -14.524 7.649 1.00 0.00 O ATOM 32 CB GLU A 382 -21.236 -12.557 9.931 1.00 0.00 C ATOM 33 CG GLU A 382 -19.865 -12.518 10.585 1.00 0.00 C ATOM 34 CD GLU A 382 -19.306 -13.903 10.848 1.00 0.00 C ATOM 35 OE1 GLU A 382 -20.096 -14.871 10.856 1.00 0.00 O ATOM 36 OE2 GLU A 382 -18.079 -14.020 11.047 1.00 0.00 O ATOM 0 H GLU A 382 -20.685 -11.536 7.541 1.00 0.00 H new ATOM 0 HA GLU A 382 -20.803 -14.258 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -21.595 -11.537 9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -21.935 -13.056 10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -19.176 -11.968 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -19.931 -11.972 11.526 1.00 0.00 H new ATOM 43 N GLU A 383 -23.469 -12.373 8.177 1.00 0.00 N ATOM 44 CA GLU A 383 -24.862 -12.410 7.747 1.00 0.00 C ATOM 45 C GLU A 383 -25.058 -11.613 6.460 1.00 0.00 C ATOM 46 O GLU A 383 -25.530 -12.145 5.456 1.00 0.00 O ATOM 47 CB GLU A 383 -25.771 -11.856 8.845 1.00 0.00 C ATOM 48 CG GLU A 383 -27.251 -11.919 8.499 1.00 0.00 C ATOM 49 CD GLU A 383 -27.779 -13.340 8.457 1.00 0.00 C ATOM 50 OE1 GLU A 383 -27.180 -14.216 9.115 1.00 0.00 O ATOM 51 OE2 GLU A 383 -28.793 -13.575 7.766 1.00 0.00 O ATOM 0 H GLU A 383 -23.163 -11.470 8.540 1.00 0.00 H new ATOM 0 HA GLU A 383 -25.127 -13.449 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 383 -25.597 -12.414 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 383 -25.497 -10.820 9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 383 -27.817 -11.346 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 383 -27.415 -11.446 7.531 1.00 0.00 H new ATOM 58 N ASP A 384 -24.692 -10.336 6.499 1.00 0.00 N ATOM 59 CA ASP A 384 -24.828 -9.466 5.337 1.00 0.00 C ATOM 60 C ASP A 384 -23.975 -9.969 4.176 1.00 0.00 C ATOM 61 O ASP A 384 -23.216 -10.928 4.320 1.00 0.00 O ATOM 62 CB ASP A 384 -24.427 -8.034 5.697 1.00 0.00 C ATOM 63 CG ASP A 384 -22.996 -7.938 6.190 1.00 0.00 C ATOM 64 OD1 ASP A 384 -22.256 -8.936 6.065 1.00 0.00 O ATOM 65 OD2 ASP A 384 -22.614 -6.862 6.698 1.00 0.00 O ATOM 0 H ASP A 384 -24.299 -9.881 7.323 1.00 0.00 H new ATOM 0 HA ASP A 384 -25.873 -9.477 5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 384 -24.550 -7.395 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 384 -25.099 -7.654 6.467 1.00 0.00 H new ATOM 70 N ASP A 385 -24.106 -9.316 3.027 1.00 0.00 N ATOM 71 CA ASP A 385 -23.348 -9.697 1.841 1.00 0.00 C ATOM 72 C ASP A 385 -22.771 -8.468 1.145 1.00 0.00 C ATOM 73 O ASP A 385 -23.472 -7.765 0.418 1.00 0.00 O ATOM 74 CB ASP A 385 -24.239 -10.474 0.869 1.00 0.00 C ATOM 75 CG ASP A 385 -24.695 -11.803 1.439 1.00 0.00 C ATOM 76 OD1 ASP A 385 -24.066 -12.281 2.407 1.00 0.00 O ATOM 77 OD2 ASP A 385 -25.680 -12.366 0.917 1.00 0.00 O ATOM 0 H ASP A 385 -24.730 -8.520 2.891 1.00 0.00 H new ATOM 0 HA ASP A 385 -22.523 -10.335 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -25.112 -9.871 0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -23.695 -10.647 -0.059 1.00 0.00 H new ATOM 82 N GLU A 386 -21.486 -8.215 1.374 1.00 0.00 N ATOM 83 CA GLU A 386 -20.812 -7.072 0.771 1.00 0.00 C ATOM 84 C GLU A 386 -19.764 -7.529 -0.239 1.00 0.00 C ATOM 85 O GLU A 386 -19.148 -8.583 -0.075 1.00 0.00 O ATOM 86 CB GLU A 386 -20.153 -6.212 1.851 1.00 0.00 C ATOM 87 CG GLU A 386 -19.541 -4.928 1.318 1.00 0.00 C ATOM 88 CD GLU A 386 -20.586 -3.936 0.845 1.00 0.00 C ATOM 89 OE1 GLU A 386 -21.734 -4.007 1.331 1.00 0.00 O ATOM 90 OE2 GLU A 386 -20.255 -3.088 -0.010 1.00 0.00 O ATOM 0 H GLU A 386 -20.891 -8.787 1.973 1.00 0.00 H new ATOM 0 HA GLU A 386 -21.560 -6.476 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -20.896 -5.963 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -19.377 -6.796 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -18.935 -4.467 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -18.870 -5.165 0.492 1.00 0.00 H new ATOM 97 N PHE A 387 -19.567 -6.733 -1.284 1.00 0.00 N ATOM 98 CA PHE A 387 -18.594 -7.058 -2.320 1.00 0.00 C ATOM 99 C PHE A 387 -17.242 -6.417 -2.018 1.00 0.00 C ATOM 100 O PHE A 387 -17.140 -5.198 -1.875 1.00 0.00 O ATOM 101 CB PHE A 387 -19.097 -6.592 -3.687 1.00 0.00 C ATOM 102 CG PHE A 387 -18.195 -6.980 -4.824 1.00 0.00 C ATOM 103 CD1 PHE A 387 -18.315 -8.220 -5.428 1.00 0.00 C ATOM 104 CD2 PHE A 387 -17.227 -6.103 -5.288 1.00 0.00 C ATOM 105 CE1 PHE A 387 -17.486 -8.581 -6.474 1.00 0.00 C ATOM 106 CE2 PHE A 387 -16.396 -6.457 -6.333 1.00 0.00 C ATOM 107 CZ PHE A 387 -16.525 -7.697 -6.927 1.00 0.00 C ATOM 0 H PHE A 387 -20.068 -5.858 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 387 -18.468 -8.141 -2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -20.088 -7.010 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -19.206 -5.508 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -19.065 -8.914 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 387 -17.121 -5.132 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 387 -17.589 -9.552 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 387 -15.646 -5.764 -6.685 1.00 0.00 H new ATOM 0 HZ PHE A 387 -15.876 -7.975 -7.744 1.00 0.00 H new ATOM 117 N GLU A 388 -16.208 -7.247 -1.921 1.00 0.00 N ATOM 118 CA GLU A 388 -14.863 -6.762 -1.637 1.00 0.00 C ATOM 119 C GLU A 388 -13.813 -7.646 -2.301 1.00 0.00 C ATOM 120 O GLU A 388 -14.069 -8.813 -2.600 1.00 0.00 O ATOM 121 CB GLU A 388 -14.625 -6.715 -0.127 1.00 0.00 C ATOM 122 CG GLU A 388 -15.577 -5.789 0.611 1.00 0.00 C ATOM 123 CD GLU A 388 -15.275 -5.700 2.096 1.00 0.00 C ATOM 124 OE1 GLU A 388 -14.481 -6.527 2.590 1.00 0.00 O ATOM 125 OE2 GLU A 388 -15.832 -4.803 2.762 1.00 0.00 O ATOM 0 H GLU A 388 -16.276 -8.258 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 388 -14.773 -5.755 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -14.723 -7.722 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -13.600 -6.394 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -15.521 -4.793 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -16.599 -6.141 0.473 1.00 0.00 H new ATOM 132 N GLU A 389 -12.632 -7.083 -2.533 1.00 0.00 N ATOM 133 CA GLU A 389 -11.543 -7.820 -3.162 1.00 0.00 C ATOM 134 C GLU A 389 -10.445 -8.139 -2.152 1.00 0.00 C ATOM 135 O GLU A 389 -10.081 -7.297 -1.331 1.00 0.00 O ATOM 136 CB GLU A 389 -10.963 -7.019 -4.329 1.00 0.00 C ATOM 137 CG GLU A 389 -10.305 -5.716 -3.905 1.00 0.00 C ATOM 138 CD GLU A 389 -9.864 -4.875 -5.086 1.00 0.00 C ATOM 139 OE1 GLU A 389 -8.883 -5.260 -5.756 1.00 0.00 O ATOM 140 OE2 GLU A 389 -10.499 -3.830 -5.341 1.00 0.00 O ATOM 0 H GLU A 389 -12.405 -6.118 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 389 -11.946 -8.759 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -10.230 -7.633 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -11.760 -6.800 -5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -11.003 -5.142 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -9.441 -5.937 -3.278 1.00 0.00 H new ATOM 147 N VAL A 390 -9.922 -9.360 -2.219 1.00 0.00 N ATOM 148 CA VAL A 390 -8.865 -9.788 -1.310 1.00 0.00 C ATOM 149 C VAL A 390 -7.599 -10.157 -2.075 1.00 0.00 C ATOM 150 O VAL A 390 -7.652 -10.882 -3.068 1.00 0.00 O ATOM 151 CB VAL A 390 -9.309 -10.996 -0.463 1.00 0.00 C ATOM 152 CG1 VAL A 390 -8.271 -11.312 0.604 1.00 0.00 C ATOM 153 CG2 VAL A 390 -10.669 -10.736 0.167 1.00 0.00 C ATOM 0 H VAL A 390 -10.213 -10.069 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 390 -8.655 -8.947 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 390 -9.397 -11.862 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -8.602 -12.168 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -7.319 -11.546 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -8.147 -10.449 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -10.966 -11.600 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -10.611 -9.857 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -11.406 -10.564 -0.617 1.00 0.00 H new ATOM 163 N ALA A 391 -6.463 -9.652 -1.606 1.00 0.00 N ATOM 164 CA ALA A 391 -5.182 -9.928 -2.246 1.00 0.00 C ATOM 165 C ALA A 391 -4.026 -9.704 -1.279 1.00 0.00 C ATOM 166 O ALA A 391 -4.207 -9.142 -0.199 1.00 0.00 O ATOM 167 CB ALA A 391 -5.015 -9.061 -3.485 1.00 0.00 C ATOM 0 H ALA A 391 -6.403 -9.050 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.170 -10.976 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -4.055 -9.277 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -5.819 -9.275 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -5.052 -8.009 -3.201 1.00 0.00 H new ATOM 173 N ASP A 392 -2.836 -10.145 -1.674 1.00 0.00 N ATOM 174 CA ASP A 392 -1.649 -9.991 -0.843 1.00 0.00 C ATOM 175 C ASP A 392 -1.084 -8.579 -0.959 1.00 0.00 C ATOM 176 O ASP A 392 -1.159 -7.956 -2.018 1.00 0.00 O ATOM 177 CB ASP A 392 -0.584 -11.014 -1.242 1.00 0.00 C ATOM 178 CG ASP A 392 -1.017 -12.440 -0.963 1.00 0.00 C ATOM 179 OD1 ASP A 392 -1.977 -12.628 -0.186 1.00 0.00 O ATOM 180 OD2 ASP A 392 -0.398 -13.369 -1.523 1.00 0.00 O ATOM 0 H ASP A 392 -2.669 -10.612 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 392 -1.937 -10.164 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -0.361 -10.906 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 392 0.338 -10.805 -0.699 1.00 0.00 H new ATOM 185 N ASP A 393 -0.521 -8.079 0.136 1.00 0.00 N ATOM 186 CA ASP A 393 0.055 -6.740 0.155 1.00 0.00 C ATOM 187 C ASP A 393 1.196 -6.622 -0.854 1.00 0.00 C ATOM 188 O ASP A 393 1.959 -7.568 -1.051 1.00 0.00 O ATOM 189 CB ASP A 393 0.563 -6.400 1.557 1.00 0.00 C ATOM 190 CG ASP A 393 -0.460 -6.707 2.634 1.00 0.00 C ATOM 191 OD1 ASP A 393 -1.666 -6.740 2.314 1.00 0.00 O ATOM 192 OD2 ASP A 393 -0.054 -6.916 3.796 1.00 0.00 O ATOM 0 H ASP A 393 -0.452 -8.581 1.021 1.00 0.00 H new ATOM 0 HA ASP A 393 -0.726 -6.033 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 393 1.475 -6.962 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 393 0.824 -5.343 1.599 1.00 0.00 H new ATOM 197 N PRO A 394 1.326 -5.456 -1.511 1.00 0.00 N ATOM 198 CA PRO A 394 2.379 -5.222 -2.502 1.00 0.00 C ATOM 199 C PRO A 394 3.750 -5.037 -1.860 1.00 0.00 C ATOM 200 O PRO A 394 3.857 -4.832 -0.651 1.00 0.00 O ATOM 201 CB PRO A 394 1.933 -3.933 -3.191 1.00 0.00 C ATOM 202 CG PRO A 394 1.140 -3.212 -2.158 1.00 0.00 C ATOM 203 CD PRO A 394 0.459 -4.274 -1.338 1.00 0.00 C ATOM 0 HA PRO A 394 2.496 -6.067 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 394 2.788 -3.342 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 394 1.333 -4.144 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 394 1.784 -2.592 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 394 0.409 -2.548 -2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 394 0.382 -3.983 -0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -0.554 -4.465 -1.691 1.00 0.00 H new ATOM 211 N ILE A 395 4.796 -5.109 -2.677 1.00 0.00 N ATOM 212 CA ILE A 395 6.159 -4.947 -2.189 1.00 0.00 C ATOM 213 C ILE A 395 6.626 -3.503 -2.339 1.00 0.00 C ATOM 214 O ILE A 395 6.413 -2.874 -3.375 1.00 0.00 O ATOM 215 CB ILE A 395 7.139 -5.874 -2.938 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.678 -7.330 -2.831 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.554 -5.718 -2.391 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.742 -7.882 -1.423 1.00 0.00 C ATOM 0 H ILE A 395 4.725 -5.279 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 395 6.152 -5.217 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 395 7.149 -5.589 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.654 -7.406 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.296 -7.947 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.229 -6.381 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.881 -4.686 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.565 -5.976 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.401 -8.917 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.769 -7.838 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.102 -7.289 -0.770 1.00 0.00 H new ATOM 230 N VAL A 396 7.269 -2.988 -1.298 1.00 0.00 N ATOM 231 CA VAL A 396 7.775 -1.623 -1.306 1.00 0.00 C ATOM 232 C VAL A 396 9.297 -1.610 -1.214 1.00 0.00 C ATOM 233 O VAL A 396 9.892 -2.422 -0.505 1.00 0.00 O ATOM 234 CB VAL A 396 7.189 -0.801 -0.139 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.608 -1.394 1.198 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.613 0.656 -0.244 1.00 0.00 C ATOM 0 H VAL A 396 7.452 -3.499 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 396 7.465 -1.169 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 396 6.102 -0.842 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.185 -0.800 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.245 -2.419 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.695 -1.388 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.190 1.219 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.701 0.722 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.253 1.073 -1.185 1.00 0.00 H new ATOM 246 N MET A 397 9.923 -0.686 -1.932 1.00 0.00 N ATOM 247 CA MET A 397 11.375 -0.576 -1.924 1.00 0.00 C ATOM 248 C MET A 397 11.842 0.372 -0.824 1.00 0.00 C ATOM 249 O MET A 397 11.577 1.574 -0.872 1.00 0.00 O ATOM 250 CB MET A 397 11.877 -0.085 -3.285 1.00 0.00 C ATOM 251 CG MET A 397 11.436 -0.960 -4.447 1.00 0.00 C ATOM 252 SD MET A 397 12.756 -2.027 -5.056 1.00 0.00 S ATOM 253 CE MET A 397 12.643 -3.396 -3.908 1.00 0.00 C ATOM 0 H MET A 397 9.449 -0.004 -2.525 1.00 0.00 H new ATOM 0 HA MET A 397 11.789 -1.565 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.519 0.931 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.966 -0.041 -3.267 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.593 -1.575 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.083 -0.326 -5.260 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.586 -3.942 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 397 12.435 -3.016 -2.908 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.839 -4.064 -4.217 1.00 0.00 H new ATOM 263 N VAL A 398 12.540 -0.176 0.166 1.00 0.00 N ATOM 264 CA VAL A 398 13.046 0.621 1.277 1.00 0.00 C ATOM 265 C VAL A 398 14.567 0.730 1.224 1.00 0.00 C ATOM 266 O VAL A 398 15.273 -0.275 1.289 1.00 0.00 O ATOM 267 CB VAL A 398 12.636 0.017 2.636 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.062 0.928 3.778 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.137 -0.236 2.678 1.00 0.00 C ATOM 0 H VAL A 398 12.768 -1.169 0.221 1.00 0.00 H new ATOM 0 HA VAL A 398 12.606 1.614 1.181 1.00 0.00 H new ATOM 0 HB VAL A 398 13.146 -0.939 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.764 0.484 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.145 1.052 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.583 1.901 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.867 -0.662 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.605 0.705 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.863 -0.932 1.885 1.00 0.00 H new ATOM 279 N ALA A 399 15.064 1.957 1.104 1.00 0.00 N ATOM 280 CA ALA A 399 16.501 2.198 1.044 1.00 0.00 C ATOM 281 C ALA A 399 17.151 1.406 -0.088 1.00 0.00 C ATOM 282 O ALA A 399 18.330 1.061 -0.019 1.00 0.00 O ATOM 283 CB ALA A 399 17.150 1.847 2.374 1.00 0.00 C ATOM 0 H ALA A 399 14.492 2.800 1.046 1.00 0.00 H new ATOM 0 HA ALA A 399 16.655 3.258 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.223 2.032 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.718 2.463 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.975 0.795 2.598 1.00 0.00 H new ATOM 289 N GLY A 400 16.375 1.123 -1.130 1.00 0.00 N ATOM 290 CA GLY A 400 16.895 0.375 -2.261 1.00 0.00 C ATOM 291 C GLY A 400 16.809 -1.126 -2.062 1.00 0.00 C ATOM 292 O GLY A 400 17.557 -1.884 -2.681 1.00 0.00 O ATOM 0 H GLY A 400 15.396 1.398 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.341 0.650 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.935 0.656 -2.429 1.00 0.00 H new ATOM 296 N ARG A 401 15.894 -1.558 -1.200 1.00 0.00 N ATOM 297 CA ARG A 401 15.714 -2.979 -0.926 1.00 0.00 C ATOM 298 C ARG A 401 14.230 -3.334 -0.871 1.00 0.00 C ATOM 299 O ARG A 401 13.398 -2.495 -0.532 1.00 0.00 O ATOM 300 CB ARG A 401 16.390 -3.357 0.394 1.00 0.00 C ATOM 301 CG ARG A 401 17.899 -3.507 0.283 1.00 0.00 C ATOM 302 CD ARG A 401 18.454 -4.384 1.393 1.00 0.00 C ATOM 303 NE ARG A 401 18.379 -3.730 2.697 1.00 0.00 N ATOM 304 CZ ARG A 401 19.169 -2.724 3.069 1.00 0.00 C ATOM 305 NH1 ARG A 401 20.093 -2.256 2.239 1.00 0.00 N ATOM 306 NH2 ARG A 401 19.034 -2.186 4.273 1.00 0.00 N ATOM 0 H ARG A 401 15.266 -0.945 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 401 16.177 -3.543 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.163 -2.596 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.966 -4.294 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 401 18.153 -3.939 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.368 -2.524 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.899 -5.322 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 401 19.492 -4.635 1.172 1.00 0.00 H new ATOM 0 HE ARG A 401 17.681 -4.063 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 401 20.201 -2.667 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 401 20.695 -1.486 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.325 -2.542 4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.639 -1.416 4.558 1.00 0.00 H new ATOM 320 N PRO A 402 13.878 -4.586 -1.207 1.00 0.00 N ATOM 321 CA PRO A 402 12.484 -5.041 -1.193 1.00 0.00 C ATOM 322 C PRO A 402 11.936 -5.191 0.221 1.00 0.00 C ATOM 323 O PRO A 402 12.602 -5.734 1.103 1.00 0.00 O ATOM 324 CB PRO A 402 12.548 -6.401 -1.890 1.00 0.00 C ATOM 325 CG PRO A 402 13.937 -6.882 -1.649 1.00 0.00 C ATOM 326 CD PRO A 402 14.806 -5.654 -1.627 1.00 0.00 C ATOM 0 HA PRO A 402 11.818 -4.328 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.812 -7.092 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 402 12.339 -6.310 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 402 14.004 -7.424 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 402 14.253 -7.569 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.637 -5.762 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.237 -5.449 -2.607 1.00 0.00 H new ATOM 334 N PHE A 403 10.716 -4.709 0.429 1.00 0.00 N ATOM 335 CA PHE A 403 10.069 -4.787 1.734 1.00 0.00 C ATOM 336 C PHE A 403 8.555 -4.862 1.580 1.00 0.00 C ATOM 337 O PHE A 403 8.024 -4.704 0.482 1.00 0.00 O ATOM 338 CB PHE A 403 10.446 -3.576 2.588 1.00 0.00 C ATOM 339 CG PHE A 403 11.782 -3.708 3.261 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.951 -3.447 2.565 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.869 -4.094 4.589 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.182 -3.568 3.181 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.097 -4.217 5.211 1.00 0.00 C ATOM 344 CZ PHE A 403 14.255 -3.953 4.505 1.00 0.00 C ATOM 0 H PHE A 403 10.153 -4.258 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 403 10.414 -5.693 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.452 -2.686 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.679 -3.425 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.900 -3.146 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.966 -4.301 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 403 15.086 -3.362 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.151 -4.519 6.247 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.216 -4.048 4.988 1.00 0.00 H new ATOM 354 N SER A 404 7.862 -5.100 2.688 1.00 0.00 N ATOM 355 CA SER A 404 6.407 -5.188 2.672 1.00 0.00 C ATOM 356 C SER A 404 5.786 -3.865 3.102 1.00 0.00 C ATOM 357 O SER A 404 6.241 -3.235 4.056 1.00 0.00 O ATOM 358 CB SER A 404 5.932 -6.313 3.594 1.00 0.00 C ATOM 359 OG SER A 404 6.470 -7.562 3.195 1.00 0.00 O ATOM 0 H SER A 404 8.284 -5.235 3.607 1.00 0.00 H new ATOM 0 HA SER A 404 6.088 -5.408 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 404 6.230 -6.097 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.843 -6.362 3.582 1.00 0.00 H new ATOM 0 HG SER A 404 6.153 -8.264 3.801 1.00 0.00 H new ATOM 365 N TYR A 405 4.745 -3.444 2.390 1.00 0.00 N ATOM 366 CA TYR A 405 4.066 -2.190 2.698 1.00 0.00 C ATOM 367 C TYR A 405 3.562 -2.183 4.138 1.00 0.00 C ATOM 368 O TYR A 405 3.671 -1.178 4.839 1.00 0.00 O ATOM 369 CB TYR A 405 2.900 -1.966 1.734 1.00 0.00 C ATOM 370 CG TYR A 405 2.337 -0.564 1.784 1.00 0.00 C ATOM 371 CD1 TYR A 405 3.061 0.512 1.286 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.083 -0.315 2.330 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.552 1.796 1.329 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.568 0.966 2.376 1.00 0.00 C ATOM 375 CZ TYR A 405 1.305 2.018 1.875 1.00 0.00 C ATOM 376 OH TYR A 405 0.795 3.295 1.920 1.00 0.00 O ATOM 0 H TYR A 405 4.354 -3.952 1.597 1.00 0.00 H new ATOM 0 HA TYR A 405 4.784 -1.379 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.233 -2.179 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.106 -2.676 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 405 4.038 0.342 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.502 -1.136 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.128 2.621 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.408 1.143 2.803 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.093 3.278 2.334 1.00 0.00 H new ATOM 386 N SER A 406 3.011 -3.312 4.572 1.00 0.00 N ATOM 387 CA SER A 406 2.491 -3.435 5.929 1.00 0.00 C ATOM 388 C SER A 406 3.613 -3.305 6.954 1.00 0.00 C ATOM 389 O SER A 406 3.441 -2.686 8.004 1.00 0.00 O ATOM 390 CB SER A 406 1.777 -4.777 6.104 1.00 0.00 C ATOM 391 OG SER A 406 1.112 -4.841 7.354 1.00 0.00 O ATOM 0 H SER A 406 2.913 -4.154 4.004 1.00 0.00 H new ATOM 0 HA SER A 406 1.777 -2.628 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 406 1.057 -4.917 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.500 -5.590 6.031 1.00 0.00 H new ATOM 0 HG SER A 406 0.662 -5.707 7.441 1.00 0.00 H new ATOM 397 N GLU A 407 4.764 -3.894 6.642 1.00 0.00 N ATOM 398 CA GLU A 407 5.915 -3.845 7.536 1.00 0.00 C ATOM 399 C GLU A 407 6.457 -2.425 7.656 1.00 0.00 C ATOM 400 O GLU A 407 7.020 -2.049 8.683 1.00 0.00 O ATOM 401 CB GLU A 407 7.016 -4.783 7.037 1.00 0.00 C ATOM 402 CG GLU A 407 8.199 -4.892 7.986 1.00 0.00 C ATOM 403 CD GLU A 407 9.318 -5.752 7.430 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.184 -6.239 6.288 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.331 -5.938 8.138 1.00 0.00 O ATOM 0 H GLU A 407 4.924 -4.410 5.777 1.00 0.00 H new ATOM 0 HA GLU A 407 5.587 -4.172 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.593 -5.776 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.370 -4.431 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.584 -3.894 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.862 -5.310 8.934 1.00 0.00 H new ATOM 412 N VAL A 408 6.280 -1.647 6.599 1.00 0.00 N ATOM 413 CA VAL A 408 6.749 -0.265 6.579 1.00 0.00 C ATOM 414 C VAL A 408 5.978 0.589 7.581 1.00 0.00 C ATOM 415 O VAL A 408 6.569 1.342 8.353 1.00 0.00 O ATOM 416 CB VAL A 408 6.611 0.352 5.173 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.156 1.774 5.152 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.316 -0.511 4.136 1.00 0.00 C ATOM 0 H VAL A 408 5.815 -1.947 5.742 1.00 0.00 H new ATOM 0 HA VAL A 408 7.803 -0.280 6.857 1.00 0.00 H new ATOM 0 HB VAL A 408 5.551 0.391 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.049 2.190 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.600 2.387 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.210 1.764 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.207 -0.058 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.374 -0.587 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.872 -1.507 4.129 1.00 0.00 H new ATOM 428 N SER A 409 4.654 0.465 7.561 1.00 0.00 N ATOM 429 CA SER A 409 3.803 1.225 8.469 1.00 0.00 C ATOM 430 C SER A 409 4.057 0.826 9.917 1.00 0.00 C ATOM 431 O SER A 409 3.891 1.631 10.835 1.00 0.00 O ATOM 432 CB SER A 409 2.330 1.015 8.120 1.00 0.00 C ATOM 433 OG SER A 409 1.924 -0.314 8.393 1.00 0.00 O ATOM 0 H SER A 409 4.149 -0.154 6.927 1.00 0.00 H new ATOM 0 HA SER A 409 4.048 2.281 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.715 1.711 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.168 1.238 7.066 1.00 0.00 H new ATOM 0 HG SER A 409 2.649 -0.932 8.161 1.00 0.00 H new ATOM 439 N GLN A 410 4.464 -0.421 10.113 1.00 0.00 N ATOM 440 CA GLN A 410 4.747 -0.935 11.448 1.00 0.00 C ATOM 441 C GLN A 410 6.092 -0.428 11.955 1.00 0.00 C ATOM 442 O GLN A 410 6.318 -0.336 13.162 1.00 0.00 O ATOM 443 CB GLN A 410 4.731 -2.464 11.445 1.00 0.00 C ATOM 444 CG GLN A 410 3.356 -3.059 11.188 1.00 0.00 C ATOM 445 CD GLN A 410 3.351 -4.572 11.267 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.346 -5.149 12.355 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.353 -5.225 10.110 1.00 0.00 N ATOM 0 H GLN A 410 4.606 -1.097 9.363 1.00 0.00 H new ATOM 0 HA GLN A 410 3.968 -0.573 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.422 -2.824 10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.100 -2.825 12.405 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.649 -2.659 11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.009 -2.749 10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.357 -4.706 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.350 -6.245 10.100 1.00 0.00 H new ATOM 456 N ARG A 411 6.980 -0.102 11.025 1.00 0.00 N ATOM 457 CA ARG A 411 8.305 0.397 11.373 1.00 0.00 C ATOM 458 C ARG A 411 8.570 1.744 10.704 1.00 0.00 C ATOM 459 O ARG A 411 9.161 1.805 9.625 1.00 0.00 O ATOM 460 CB ARG A 411 9.377 -0.613 10.956 1.00 0.00 C ATOM 461 CG ARG A 411 9.471 -1.816 11.880 1.00 0.00 C ATOM 462 CD ARG A 411 10.382 -2.888 11.308 1.00 0.00 C ATOM 463 NE ARG A 411 11.046 -3.659 12.356 1.00 0.00 N ATOM 464 CZ ARG A 411 10.428 -4.554 13.123 1.00 0.00 C ATOM 465 NH1 ARG A 411 9.132 -4.793 12.963 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.107 -5.211 14.053 1.00 0.00 N ATOM 0 H ARG A 411 6.807 -0.174 10.022 1.00 0.00 H new ATOM 0 HA ARG A 411 8.345 0.534 12.454 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.165 -0.958 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.345 -0.112 10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.846 -1.500 12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.476 -2.231 12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 411 9.800 -3.560 10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.133 -2.423 10.669 1.00 0.00 H new ATOM 0 HE ARG A 411 12.042 -3.502 12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 411 8.605 -4.290 12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 411 8.663 -5.480 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 411 12.103 -5.030 14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 411 10.634 -5.897 14.641 1.00 0.00 H new ATOM 480 N PRO A 412 8.135 2.845 11.339 1.00 0.00 N ATOM 481 CA PRO A 412 8.327 4.196 10.801 1.00 0.00 C ATOM 482 C PRO A 412 9.780 4.469 10.428 1.00 0.00 C ATOM 483 O PRO A 412 10.061 5.292 9.556 1.00 0.00 O ATOM 484 CB PRO A 412 7.890 5.103 11.952 1.00 0.00 C ATOM 485 CG PRO A 412 6.935 4.278 12.743 1.00 0.00 C ATOM 486 CD PRO A 412 7.420 2.860 12.630 1.00 0.00 C ATOM 0 HA PRO A 412 7.763 4.353 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.742 5.412 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.416 6.012 11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.911 4.600 13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.921 4.376 12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.078 2.593 13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.593 2.150 12.639 1.00 0.00 H new ATOM 494 N GLU A 413 10.700 3.777 11.093 1.00 0.00 N ATOM 495 CA GLU A 413 12.123 3.949 10.828 1.00 0.00 C ATOM 496 C GLU A 413 12.460 3.574 9.391 1.00 0.00 C ATOM 497 O GLU A 413 13.391 4.117 8.797 1.00 0.00 O ATOM 498 CB GLU A 413 12.952 3.106 11.799 1.00 0.00 C ATOM 499 CG GLU A 413 14.450 3.335 11.676 1.00 0.00 C ATOM 500 CD GLU A 413 15.257 2.422 12.580 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.647 1.585 13.278 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.500 2.544 12.588 1.00 0.00 O ATOM 0 H GLU A 413 10.485 3.093 11.818 1.00 0.00 H new ATOM 0 HA GLU A 413 12.368 5.001 10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.641 3.331 12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.738 2.051 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.754 3.177 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.676 4.373 11.919 1.00 0.00 H new ATOM 509 N LEU A 414 11.694 2.644 8.839 1.00 0.00 N ATOM 510 CA LEU A 414 11.905 2.193 7.469 1.00 0.00 C ATOM 511 C LEU A 414 11.597 3.311 6.479 1.00 0.00 C ATOM 512 O LEU A 414 12.270 3.454 5.458 1.00 0.00 O ATOM 513 CB LEU A 414 11.029 0.975 7.168 1.00 0.00 C ATOM 514 CG LEU A 414 11.285 -0.245 8.057 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.438 -1.424 7.603 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.762 -0.611 8.045 1.00 0.00 C ATOM 0 H LEU A 414 10.919 2.186 9.319 1.00 0.00 H new ATOM 0 HA LEU A 414 12.953 1.912 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.983 1.265 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.181 0.686 6.128 1.00 0.00 H new ATOM 0 HG LEU A 414 11.001 0.007 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.634 -2.282 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.383 -1.158 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.690 -1.678 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.927 -1.480 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.071 -0.844 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.348 0.229 8.419 1.00 0.00 H new ATOM 528 N VAL A 415 10.576 4.104 6.791 1.00 0.00 N ATOM 529 CA VAL A 415 10.179 5.211 5.931 1.00 0.00 C ATOM 530 C VAL A 415 11.279 6.266 5.857 1.00 0.00 C ATOM 531 O VAL A 415 11.519 6.853 4.802 1.00 0.00 O ATOM 532 CB VAL A 415 8.878 5.869 6.431 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.419 6.957 5.469 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.791 4.821 6.621 1.00 0.00 C ATOM 0 H VAL A 415 10.010 4.000 7.633 1.00 0.00 H new ATOM 0 HA VAL A 415 10.008 4.799 4.936 1.00 0.00 H new ATOM 0 HB VAL A 415 9.077 6.335 7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.499 7.408 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.192 7.722 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.237 6.521 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.879 5.302 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.594 4.324 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.120 4.084 7.354 1.00 0.00 H new ATOM 544 N ALA A 416 11.944 6.500 6.983 1.00 0.00 N ATOM 545 CA ALA A 416 13.020 7.482 7.044 1.00 0.00 C ATOM 546 C ALA A 416 14.225 7.026 6.233 1.00 0.00 C ATOM 547 O ALA A 416 14.990 7.843 5.721 1.00 0.00 O ATOM 548 CB ALA A 416 13.419 7.743 8.488 1.00 0.00 C ATOM 0 H ALA A 416 11.757 6.023 7.865 1.00 0.00 H new ATOM 0 HA ALA A 416 12.653 8.412 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.223 8.478 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.560 8.124 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.761 6.814 8.945 1.00 0.00 H new ATOM 554 N GLN A 417 14.386 5.715 6.119 1.00 0.00 N ATOM 555 CA GLN A 417 15.496 5.139 5.367 1.00 0.00 C ATOM 556 C GLN A 417 15.240 5.214 3.865 1.00 0.00 C ATOM 557 O GLN A 417 16.173 5.173 3.064 1.00 0.00 O ATOM 558 CB GLN A 417 15.725 3.687 5.787 1.00 0.00 C ATOM 559 CG GLN A 417 16.198 3.535 7.223 1.00 0.00 C ATOM 560 CD GLN A 417 16.504 2.095 7.587 1.00 0.00 C ATOM 561 OE1 GLN A 417 17.554 1.562 7.229 1.00 0.00 O ATOM 562 NE2 GLN A 417 15.585 1.457 8.302 1.00 0.00 N ATOM 0 H GLN A 417 13.761 5.027 6.539 1.00 0.00 H new ATOM 0 HA GLN A 417 16.391 5.720 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.797 3.130 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.462 3.237 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.091 4.142 7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.433 3.921 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 417 14.729 1.938 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 417 15.735 0.486 8.576 1.00 0.00 H new ATOM 571 N MET A 418 13.970 5.322 3.492 1.00 0.00 N ATOM 572 CA MET A 418 13.589 5.401 2.087 1.00 0.00 C ATOM 573 C MET A 418 13.938 6.767 1.503 1.00 0.00 C ATOM 574 O MET A 418 13.601 7.801 2.077 1.00 0.00 O ATOM 575 CB MET A 418 12.090 5.142 1.928 1.00 0.00 C ATOM 576 CG MET A 418 11.648 3.781 2.440 1.00 0.00 C ATOM 577 SD MET A 418 10.368 3.036 1.413 1.00 0.00 S ATOM 578 CE MET A 418 9.207 2.490 2.662 1.00 0.00 C ATOM 0 H MET A 418 13.186 5.357 4.144 1.00 0.00 H new ATOM 0 HA MET A 418 14.146 4.637 1.544 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.538 5.917 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.825 5.228 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.510 3.115 2.480 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.277 3.884 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.655 1.625 2.293 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.749 2.215 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.509 3.296 2.888 1.00 0.00 H new ATOM 588 N THR A 419 14.609 6.762 0.356 1.00 0.00 N ATOM 589 CA THR A 419 14.994 8.005 -0.306 1.00 0.00 C ATOM 590 C THR A 419 13.753 8.759 -0.778 1.00 0.00 C ATOM 591 O THR A 419 12.642 8.231 -0.722 1.00 0.00 O ATOM 592 CB THR A 419 15.922 7.717 -1.490 1.00 0.00 C ATOM 593 OG1 THR A 419 15.177 7.335 -2.631 1.00 0.00 O ATOM 594 CG2 THR A 419 16.930 6.622 -1.213 1.00 0.00 C ATOM 0 H THR A 419 14.897 5.915 -0.134 1.00 0.00 H new ATOM 0 HA THR A 419 15.530 8.627 0.411 1.00 0.00 H new ATOM 0 HB THR A 419 16.461 8.648 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.788 7.157 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.554 6.471 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.557 6.910 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.406 5.696 -0.976 1.00 0.00 H new ATOM 602 N PRO A 420 13.917 10.008 -1.246 1.00 0.00 N ATOM 603 CA PRO A 420 12.792 10.823 -1.719 1.00 0.00 C ATOM 604 C PRO A 420 11.967 10.112 -2.785 1.00 0.00 C ATOM 605 O PRO A 420 10.758 9.939 -2.630 1.00 0.00 O ATOM 606 CB PRO A 420 13.467 12.069 -2.298 1.00 0.00 C ATOM 607 CG PRO A 420 14.778 12.148 -1.595 1.00 0.00 C ATOM 608 CD PRO A 420 15.200 10.727 -1.347 1.00 0.00 C ATOM 0 HA PRO A 420 12.086 11.043 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.600 11.983 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 420 12.868 12.962 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.515 12.674 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.686 12.697 -0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.815 10.342 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.787 10.635 -0.433 1.00 0.00 H new ATOM 616 N GLU A 421 12.622 9.697 -3.864 1.00 0.00 N ATOM 617 CA GLU A 421 11.934 8.998 -4.943 1.00 0.00 C ATOM 618 C GLU A 421 11.264 7.739 -4.411 1.00 0.00 C ATOM 619 O GLU A 421 10.120 7.440 -4.753 1.00 0.00 O ATOM 620 CB GLU A 421 12.915 8.641 -6.061 1.00 0.00 C ATOM 621 CG GLU A 421 13.524 9.853 -6.747 1.00 0.00 C ATOM 622 CD GLU A 421 14.426 9.475 -7.907 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.561 9.021 -7.652 1.00 0.00 O ATOM 624 OE2 GLU A 421 13.995 9.632 -9.069 1.00 0.00 O ATOM 0 H GLU A 421 13.622 9.831 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 421 11.169 9.659 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.716 8.027 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.399 8.034 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.725 10.501 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.096 10.428 -6.019 1.00 0.00 H new ATOM 631 N GLU A 422 11.979 7.016 -3.557 1.00 0.00 N ATOM 632 CA GLU A 422 11.446 5.800 -2.962 1.00 0.00 C ATOM 633 C GLU A 422 10.275 6.135 -2.048 1.00 0.00 C ATOM 634 O GLU A 422 9.327 5.359 -1.927 1.00 0.00 O ATOM 635 CB GLU A 422 12.533 5.063 -2.177 1.00 0.00 C ATOM 636 CG GLU A 422 13.605 4.443 -3.059 1.00 0.00 C ATOM 637 CD GLU A 422 13.040 3.439 -4.046 1.00 0.00 C ATOM 638 OE1 GLU A 422 11.857 3.065 -3.902 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.781 3.028 -4.963 1.00 0.00 O ATOM 0 H GLU A 422 12.927 7.251 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 422 11.096 5.148 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.003 5.759 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.069 4.279 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.122 5.232 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.347 3.951 -2.431 1.00 0.00 H new ATOM 646 N LYS A 423 10.342 7.303 -1.415 1.00 0.00 N ATOM 647 CA LYS A 423 9.280 7.747 -0.523 1.00 0.00 C ATOM 648 C LYS A 423 7.996 7.977 -1.309 1.00 0.00 C ATOM 649 O LYS A 423 6.899 7.692 -0.828 1.00 0.00 O ATOM 650 CB LYS A 423 9.691 9.032 0.199 1.00 0.00 C ATOM 651 CG LYS A 423 8.704 9.469 1.269 1.00 0.00 C ATOM 652 CD LYS A 423 8.797 8.591 2.505 1.00 0.00 C ATOM 653 CE LYS A 423 7.707 7.528 2.522 1.00 0.00 C ATOM 654 NZ LYS A 423 8.272 6.152 2.465 1.00 0.00 N ATOM 0 H LYS A 423 11.120 7.957 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 423 9.105 6.970 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.669 8.885 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.799 9.832 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.898 10.506 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.691 9.429 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 423 9.775 8.111 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.716 9.210 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.108 7.637 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.038 7.681 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.665 5.505 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 8.317 5.836 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 9.229 6.152 2.872 1.00 0.00 H new ATOM 668 N GLU A 424 8.144 8.486 -2.528 1.00 0.00 N ATOM 669 CA GLU A 424 7.000 8.747 -3.391 1.00 0.00 C ATOM 670 C GLU A 424 6.298 7.446 -3.758 1.00 0.00 C ATOM 671 O GLU A 424 5.074 7.351 -3.688 1.00 0.00 O ATOM 672 CB GLU A 424 7.447 9.481 -4.657 1.00 0.00 C ATOM 673 CG GLU A 424 7.578 10.985 -4.475 1.00 0.00 C ATOM 674 CD GLU A 424 6.267 11.640 -4.083 1.00 0.00 C ATOM 675 OE1 GLU A 424 5.205 11.016 -4.293 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.303 12.776 -3.566 1.00 0.00 O ATOM 0 H GLU A 424 9.046 8.726 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 424 6.297 9.378 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.406 9.078 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.732 9.281 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 424 8.326 11.191 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.939 11.430 -5.402 1.00 0.00 H new ATOM 683 N ALA A 425 7.081 6.439 -4.138 1.00 0.00 N ATOM 684 CA ALA A 425 6.527 5.139 -4.502 1.00 0.00 C ATOM 685 C ALA A 425 5.703 4.570 -3.356 1.00 0.00 C ATOM 686 O ALA A 425 4.727 3.850 -3.570 1.00 0.00 O ATOM 687 CB ALA A 425 7.640 4.178 -4.891 1.00 0.00 C ATOM 0 H ALA A 425 8.097 6.498 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 425 5.871 5.271 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.210 3.213 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.188 4.581 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.321 4.050 -4.050 1.00 0.00 H new ATOM 693 N TYR A 426 6.101 4.914 -2.140 1.00 0.00 N ATOM 694 CA TYR A 426 5.405 4.463 -0.942 1.00 0.00 C ATOM 695 C TYR A 426 4.034 5.110 -0.855 1.00 0.00 C ATOM 696 O TYR A 426 3.025 4.446 -0.614 1.00 0.00 O ATOM 697 CB TYR A 426 6.212 4.836 0.299 1.00 0.00 C ATOM 698 CG TYR A 426 5.612 4.330 1.592 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.535 2.969 1.862 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.126 5.218 2.542 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.987 2.509 3.046 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.579 4.766 3.726 1.00 0.00 C ATOM 703 CZ TYR A 426 4.512 3.411 3.973 1.00 0.00 C ATOM 704 OH TYR A 426 3.966 2.956 5.152 1.00 0.00 O ATOM 0 H TYR A 426 6.909 5.509 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 426 5.291 3.380 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.222 4.438 0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.301 5.921 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.908 2.260 1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.177 6.280 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.932 1.449 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.205 5.470 4.455 1.00 0.00 H new ATOM 0 HH TYR A 426 3.680 3.719 5.696 1.00 0.00 H new ATOM 714 N ILE A 427 4.020 6.420 -1.045 1.00 0.00 N ATOM 715 CA ILE A 427 2.797 7.198 -0.985 1.00 0.00 C ATOM 716 C ILE A 427 1.938 6.984 -2.229 1.00 0.00 C ATOM 717 O ILE A 427 0.709 7.006 -2.157 1.00 0.00 O ATOM 718 CB ILE A 427 3.123 8.696 -0.828 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.850 8.941 0.497 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.857 9.531 -0.903 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.101 9.778 0.358 1.00 0.00 C ATOM 0 H ILE A 427 4.855 6.971 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 427 2.231 6.858 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 427 3.777 8.996 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.168 9.435 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.113 7.980 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.109 10.585 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.375 9.375 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.177 9.233 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.562 9.909 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.802 9.276 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.842 10.753 -0.055 1.00 0.00 H new ATOM 733 N ALA A 428 2.590 6.783 -3.366 1.00 0.00 N ATOM 734 CA ALA A 428 1.882 6.570 -4.621 1.00 0.00 C ATOM 735 C ALA A 428 0.986 5.338 -4.545 1.00 0.00 C ATOM 736 O ALA A 428 -0.136 5.343 -5.051 1.00 0.00 O ATOM 737 CB ALA A 428 2.871 6.436 -5.770 1.00 0.00 C ATOM 0 H ALA A 428 3.607 6.763 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 428 1.247 7.437 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.327 6.277 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.465 7.347 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.530 5.588 -5.586 1.00 0.00 H new ATOM 743 N MET A 429 1.487 4.284 -3.907 1.00 0.00 N ATOM 744 CA MET A 429 0.729 3.047 -3.764 1.00 0.00 C ATOM 745 C MET A 429 -0.555 3.284 -2.976 1.00 0.00 C ATOM 746 O MET A 429 -1.589 2.677 -3.256 1.00 0.00 O ATOM 747 CB MET A 429 1.576 1.979 -3.070 1.00 0.00 C ATOM 748 CG MET A 429 2.665 1.395 -3.956 1.00 0.00 C ATOM 749 SD MET A 429 3.471 -0.037 -3.213 1.00 0.00 S ATOM 750 CE MET A 429 4.127 0.685 -1.711 1.00 0.00 C ATOM 0 H MET A 429 2.414 4.263 -3.482 1.00 0.00 H new ATOM 0 HA MET A 429 0.464 2.697 -4.762 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.036 2.412 -2.182 1.00 0.00 H new ATOM 0 HB3 MET A 429 0.924 1.174 -2.731 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.233 1.107 -4.914 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.412 2.162 -4.161 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.301 -0.100 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 429 5.067 1.190 -1.931 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.413 1.405 -1.311 1.00 0.00 H new ATOM 760 N GLY A 430 -0.482 4.172 -1.990 1.00 0.00 N ATOM 761 CA GLY A 430 -1.646 4.474 -1.176 1.00 0.00 C ATOM 762 C GLY A 430 -2.808 4.995 -1.998 1.00 0.00 C ATOM 763 O GLY A 430 -3.958 4.618 -1.768 1.00 0.00 O ATOM 0 H GLY A 430 0.362 4.688 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -1.956 3.575 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -1.377 5.214 -0.423 1.00 0.00 H new ATOM 767 N GLN A 431 -2.510 5.863 -2.959 1.00 0.00 N ATOM 768 CA GLN A 431 -3.539 6.435 -3.819 1.00 0.00 C ATOM 769 C GLN A 431 -4.228 5.349 -4.639 1.00 0.00 C ATOM 770 O GLN A 431 -5.434 5.411 -4.880 1.00 0.00 O ATOM 771 CB GLN A 431 -2.929 7.484 -4.751 1.00 0.00 C ATOM 772 CG GLN A 431 -2.379 8.699 -4.022 1.00 0.00 C ATOM 773 CD GLN A 431 -1.893 9.778 -4.969 1.00 0.00 C ATOM 774 OE1 GLN A 431 -2.683 10.568 -5.486 1.00 0.00 O ATOM 775 NE2 GLN A 431 -0.587 9.815 -5.204 1.00 0.00 N ATOM 0 H GLN A 431 -1.564 6.186 -3.162 1.00 0.00 H new ATOM 0 HA GLN A 431 -4.284 6.913 -3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -2.127 7.023 -5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -3.687 7.810 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -3.153 9.111 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -1.556 8.389 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 431 0.032 9.140 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -0.202 10.518 -5.835 1.00 0.00 H new ATOM 784 N ARG A 432 -3.455 4.356 -5.063 1.00 0.00 N ATOM 785 CA ARG A 432 -3.991 3.254 -5.855 1.00 0.00 C ATOM 786 C ARG A 432 -5.063 2.496 -5.078 1.00 0.00 C ATOM 787 O ARG A 432 -6.049 2.034 -5.651 1.00 0.00 O ATOM 788 CB ARG A 432 -2.869 2.298 -6.262 1.00 0.00 C ATOM 789 CG ARG A 432 -1.796 2.948 -7.121 1.00 0.00 C ATOM 790 CD ARG A 432 -2.321 3.283 -8.508 1.00 0.00 C ATOM 791 NE ARG A 432 -2.593 2.083 -9.295 1.00 0.00 N ATOM 792 CZ ARG A 432 -1.645 1.283 -9.779 1.00 0.00 C ATOM 793 NH1 ARG A 432 -0.364 1.551 -9.558 1.00 0.00 N ATOM 794 NH2 ARG A 432 -1.980 0.211 -10.484 1.00 0.00 N ATOM 0 H ARG A 432 -2.455 4.291 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 432 -4.446 3.673 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -2.406 1.891 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -3.299 1.458 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -1.441 3.857 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -0.941 2.277 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -3.234 3.872 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -1.593 3.902 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 432 -3.566 1.844 -9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -0.101 2.373 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 432 0.358 0.934 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -2.963 -0.000 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -1.255 -0.402 -10.855 1.00 0.00 H new ATOM 808 N MET A 433 -4.861 2.371 -3.770 1.00 0.00 N ATOM 809 CA MET A 433 -5.809 1.668 -2.913 1.00 0.00 C ATOM 810 C MET A 433 -7.184 2.323 -2.966 1.00 0.00 C ATOM 811 O MET A 433 -8.205 1.666 -2.761 1.00 0.00 O ATOM 812 CB MET A 433 -5.300 1.635 -1.471 1.00 0.00 C ATOM 813 CG MET A 433 -4.032 0.816 -1.292 1.00 0.00 C ATOM 814 SD MET A 433 -3.527 0.689 0.434 1.00 0.00 S ATOM 815 CE MET A 433 -1.989 -0.213 0.272 1.00 0.00 C ATOM 0 H MET A 433 -4.049 2.747 -3.280 1.00 0.00 H new ATOM 0 HA MET A 433 -5.901 0.646 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 433 -5.114 2.656 -1.137 1.00 0.00 H new ATOM 0 HB3 MET A 433 -6.080 1.227 -0.828 1.00 0.00 H new ATOM 0 HG2 MET A 433 -4.190 -0.184 -1.695 1.00 0.00 H new ATOM 0 HG3 MET A 433 -3.227 1.269 -1.870 1.00 0.00 H new ATOM 0 HE1 MET A 433 -1.654 -0.540 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 433 -2.143 -1.083 -0.366 1.00 0.00 H new ATOM 0 HE3 MET A 433 -1.233 0.434 -0.173 1.00 0.00 H new ATOM 825 N PHE A 434 -7.201 3.619 -3.241 1.00 0.00 N ATOM 826 CA PHE A 434 -8.450 4.369 -3.321 1.00 0.00 C ATOM 827 C PHE A 434 -8.279 5.621 -4.176 1.00 0.00 C ATOM 828 O PHE A 434 -8.124 6.725 -3.655 1.00 0.00 O ATOM 829 CB PHE A 434 -8.927 4.756 -1.920 1.00 0.00 C ATOM 830 CG PHE A 434 -9.289 3.578 -1.063 1.00 0.00 C ATOM 831 CD1 PHE A 434 -10.553 3.013 -1.137 1.00 0.00 C ATOM 832 CD2 PHE A 434 -8.367 3.034 -0.182 1.00 0.00 C ATOM 833 CE1 PHE A 434 -10.890 1.928 -0.350 1.00 0.00 C ATOM 834 CE2 PHE A 434 -8.698 1.949 0.608 1.00 0.00 C ATOM 835 CZ PHE A 434 -9.961 1.396 0.524 1.00 0.00 C ATOM 0 H PHE A 434 -6.364 4.176 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 434 -9.199 3.730 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -8.144 5.329 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -9.794 5.411 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -11.283 3.426 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -7.378 3.463 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -11.878 1.497 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -7.970 1.534 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 434 -10.222 0.549 1.141 1.00 0.00 H new ATOM 845 N GLU A 435 -8.311 5.440 -5.493 1.00 0.00 N ATOM 846 CA GLU A 435 -8.160 6.555 -6.421 1.00 0.00 C ATOM 847 C GLU A 435 -9.468 7.317 -6.569 1.00 0.00 C ATOM 848 O GLU A 435 -9.481 8.543 -6.685 1.00 0.00 O ATOM 849 CB GLU A 435 -7.695 6.049 -7.787 1.00 0.00 C ATOM 850 CG GLU A 435 -8.699 5.136 -8.473 1.00 0.00 C ATOM 851 CD GLU A 435 -8.167 4.546 -9.764 1.00 0.00 C ATOM 852 OE1 GLU A 435 -7.100 4.999 -10.229 1.00 0.00 O ATOM 853 OE2 GLU A 435 -8.817 3.631 -10.312 1.00 0.00 O ATOM 0 H GLU A 435 -8.440 4.533 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 435 -7.408 7.233 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -7.494 6.904 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -6.754 5.513 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -8.972 4.328 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -9.610 5.697 -8.683 1.00 0.00 H new ATOM 860 N ASP A 436 -10.564 6.578 -6.563 1.00 0.00 N ATOM 861 CA ASP A 436 -11.891 7.166 -6.695 1.00 0.00 C ATOM 862 C ASP A 436 -12.960 6.221 -6.156 1.00 0.00 C ATOM 863 O ASP A 436 -13.592 5.485 -6.914 1.00 0.00 O ATOM 864 CB ASP A 436 -12.180 7.499 -8.161 1.00 0.00 C ATOM 865 CG ASP A 436 -13.496 8.231 -8.339 1.00 0.00 C ATOM 866 OD1 ASP A 436 -14.047 8.719 -7.330 1.00 0.00 O ATOM 867 OD2 ASP A 436 -13.975 8.319 -9.490 1.00 0.00 O ATOM 0 H ASP A 436 -10.563 5.562 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 436 -11.915 8.085 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -11.370 8.111 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -12.198 6.578 -8.743 1.00 0.00 H new ATOM 872 N LEU A 437 -13.158 6.247 -4.842 1.00 0.00 N ATOM 873 CA LEU A 437 -14.151 5.392 -4.201 1.00 0.00 C ATOM 874 C LEU A 437 -14.783 6.095 -3.004 1.00 0.00 C ATOM 875 O LEU A 437 -14.399 5.857 -1.859 1.00 0.00 O ATOM 876 CB LEU A 437 -13.511 4.076 -3.756 1.00 0.00 C ATOM 877 CG LEU A 437 -12.738 3.329 -4.844 1.00 0.00 C ATOM 878 CD1 LEU A 437 -12.028 2.118 -4.259 1.00 0.00 C ATOM 879 CD2 LEU A 437 -13.673 2.908 -5.969 1.00 0.00 C ATOM 0 H LEU A 437 -12.644 6.851 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 437 -14.934 5.179 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 437 -12.834 4.282 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 437 -14.293 3.421 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 437 -11.986 4.002 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 437 -11.483 1.599 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 437 -11.329 2.443 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 437 -12.762 1.442 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 437 -13.106 2.378 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 437 -14.448 2.252 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 437 -14.136 3.792 -6.408 1.00 0.00 H new ATOM 891 N PHE A 438 -15.752 6.962 -3.278 1.00 0.00 N ATOM 892 CA PHE A 438 -16.437 7.700 -2.222 1.00 0.00 C ATOM 893 C PHE A 438 -17.939 7.432 -2.259 1.00 0.00 C ATOM 894 O PHE A 438 -18.499 7.128 -3.312 1.00 0.00 O ATOM 895 CB PHE A 438 -16.170 9.199 -2.364 1.00 0.00 C ATOM 896 CG PHE A 438 -14.718 9.564 -2.247 1.00 0.00 C ATOM 897 CD1 PHE A 438 -14.147 9.797 -1.006 1.00 0.00 C ATOM 898 CD2 PHE A 438 -13.924 9.674 -3.377 1.00 0.00 C ATOM 899 CE1 PHE A 438 -12.811 10.133 -0.894 1.00 0.00 C ATOM 900 CE2 PHE A 438 -12.588 10.010 -3.272 1.00 0.00 C ATOM 901 CZ PHE A 438 -12.030 10.240 -2.030 1.00 0.00 C ATOM 0 H PHE A 438 -16.081 7.171 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 438 -16.049 7.359 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 438 -16.544 9.536 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 438 -16.733 9.734 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 438 -14.753 9.715 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 438 -14.354 9.495 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 438 -12.378 10.312 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 438 -11.980 10.093 -4.161 1.00 0.00 H new ATOM 0 HZ PHE A 438 -10.986 10.503 -1.946 1.00 0.00 H new ATOM 911 N GLU A 439 -18.583 7.547 -1.102 1.00 0.00 N ATOM 912 CA GLU A 439 -20.019 7.318 -1.002 1.00 0.00 C ATOM 913 C GLU A 439 -20.778 8.639 -0.936 1.00 0.00 C ATOM 914 O GLU A 439 -22.027 8.606 -0.968 1.00 0.00 O ATOM 915 CB GLU A 439 -20.337 6.471 0.233 1.00 0.00 C ATOM 916 CG GLU A 439 -19.719 5.083 0.192 1.00 0.00 C ATOM 917 CD GLU A 439 -20.209 4.262 -0.984 1.00 0.00 C ATOM 918 OE1 GLU A 439 -21.258 4.616 -1.561 1.00 0.00 O ATOM 919 OE2 GLU A 439 -19.543 3.262 -1.328 1.00 0.00 O ATOM 920 OXT GLU A 439 -20.119 9.696 -0.849 1.00 0.00 O ATOM 0 H GLU A 439 -18.133 7.797 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 439 -20.339 6.781 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -19.982 6.992 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -21.419 6.376 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -18.634 5.174 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -19.951 4.558 1.119 1.00 0.00 H new TER 927 GLU A 439