USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 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 138:sc= -4.06 (180deg=-6.03!) 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 406 SER OG : rot 140:sc= 0 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 418 MET CE :methyl -153:sc= -2.6! (180deg=-3.75!) USER MOD Single : A 419 THR OG1 : rot -170:sc= -1.01 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl 179:sc= -3.59 (180deg=-3.65!) USER MOD Single : A 431 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 433 MET CE :methyl -166:sc= -0.0451 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 380 22.430 -12.218 27.274 1.00 0.00 N ATOM 2 CA ASP A 380 21.674 -10.992 26.907 1.00 0.00 C ATOM 3 C ASP A 380 20.193 -11.297 26.710 1.00 0.00 C ATOM 4 O ASP A 380 19.350 -10.865 27.497 1.00 0.00 O ATOM 5 CB ASP A 380 22.271 -10.418 25.622 1.00 0.00 C ATOM 6 CG ASP A 380 23.692 -9.924 25.812 1.00 0.00 C ATOM 7 OD1 ASP A 380 24.106 -9.739 26.976 1.00 0.00 O ATOM 8 OD2 ASP A 380 24.391 -9.721 24.797 1.00 0.00 O ATOM 0 HA ASP A 380 21.755 -10.266 27.716 1.00 0.00 H new ATOM 0 HB2 ASP A 380 22.256 -11.183 24.845 1.00 0.00 H new ATOM 0 HB3 ASP A 380 21.648 -9.595 25.271 1.00 0.00 H new ATOM 13 N GLU A 381 19.883 -12.043 25.655 1.00 0.00 N ATOM 14 CA GLU A 381 18.503 -12.406 25.354 1.00 0.00 C ATOM 15 C GLU A 381 18.272 -13.897 25.575 1.00 0.00 C ATOM 16 O GLU A 381 19.215 -14.688 25.574 1.00 0.00 O ATOM 17 CB GLU A 381 18.160 -12.034 23.910 1.00 0.00 C ATOM 18 CG GLU A 381 18.286 -10.547 23.618 1.00 0.00 C ATOM 19 CD GLU A 381 17.867 -10.191 22.205 1.00 0.00 C ATOM 20 OE1 GLU A 381 17.703 -11.116 21.381 1.00 0.00 O ATOM 21 OE2 GLU A 381 17.703 -8.986 21.920 1.00 0.00 O ATOM 0 H GLU A 381 20.569 -12.408 24.994 1.00 0.00 H new ATOM 0 HA GLU A 381 17.852 -11.852 26.030 1.00 0.00 H new ATOM 0 HB2 GLU A 381 18.816 -12.585 23.236 1.00 0.00 H new ATOM 0 HB3 GLU A 381 17.140 -12.353 23.694 1.00 0.00 H new ATOM 0 HG2 GLU A 381 17.673 -9.989 24.326 1.00 0.00 H new ATOM 0 HG3 GLU A 381 19.319 -10.236 23.776 1.00 0.00 H new ATOM 28 N GLU A 382 17.012 -14.273 25.764 1.00 0.00 N ATOM 29 CA GLU A 382 16.656 -15.671 25.986 1.00 0.00 C ATOM 30 C GLU A 382 16.188 -16.325 24.691 1.00 0.00 C ATOM 31 O GLU A 382 15.700 -15.649 23.784 1.00 0.00 O ATOM 32 CB GLU A 382 15.563 -15.777 27.051 1.00 0.00 C ATOM 33 CG GLU A 382 15.971 -15.211 28.401 1.00 0.00 C ATOM 34 CD GLU A 382 14.899 -15.394 29.459 1.00 0.00 C ATOM 35 OE1 GLU A 382 13.757 -15.748 29.095 1.00 0.00 O ATOM 36 OE2 GLU A 382 15.202 -15.183 30.652 1.00 0.00 O ATOM 0 H GLU A 382 16.220 -13.630 25.768 1.00 0.00 H new ATOM 0 HA GLU A 382 17.545 -16.196 26.335 1.00 0.00 H new ATOM 0 HB2 GLU A 382 14.674 -15.253 26.700 1.00 0.00 H new ATOM 0 HB3 GLU A 382 15.288 -16.824 27.174 1.00 0.00 H new ATOM 0 HG2 GLU A 382 16.889 -15.696 28.732 1.00 0.00 H new ATOM 0 HG3 GLU A 382 16.193 -14.149 28.294 1.00 0.00 H new ATOM 43 N GLU A 383 16.338 -17.642 24.611 1.00 0.00 N ATOM 44 CA GLU A 383 15.929 -18.388 23.425 1.00 0.00 C ATOM 45 C GLU A 383 14.424 -18.634 23.430 1.00 0.00 C ATOM 46 O GLU A 383 13.959 -19.685 23.871 1.00 0.00 O ATOM 47 CB GLU A 383 16.676 -19.720 23.352 1.00 0.00 C ATOM 48 CG GLU A 383 18.181 -19.567 23.209 1.00 0.00 C ATOM 49 CD GLU A 383 18.868 -19.286 24.531 1.00 0.00 C ATOM 50 OE1 GLU A 383 18.243 -19.523 25.587 1.00 0.00 O ATOM 51 OE2 GLU A 383 20.031 -18.831 24.511 1.00 0.00 O ATOM 0 H GLU A 383 16.740 -18.216 25.353 1.00 0.00 H new ATOM 0 HA GLU A 383 16.178 -17.792 22.547 1.00 0.00 H new ATOM 0 HB2 GLU A 383 16.462 -20.297 24.252 1.00 0.00 H new ATOM 0 HB3 GLU A 383 16.296 -20.294 22.507 1.00 0.00 H new ATOM 0 HG2 GLU A 383 18.595 -20.477 22.775 1.00 0.00 H new ATOM 0 HG3 GLU A 383 18.395 -18.756 22.513 1.00 0.00 H new ATOM 58 N ASP A 384 13.669 -17.658 22.936 1.00 0.00 N ATOM 59 CA ASP A 384 12.215 -17.770 22.883 1.00 0.00 C ATOM 60 C ASP A 384 11.683 -17.292 21.537 1.00 0.00 C ATOM 61 O ASP A 384 12.365 -16.571 20.809 1.00 0.00 O ATOM 62 CB ASP A 384 11.580 -16.958 24.014 1.00 0.00 C ATOM 63 CG ASP A 384 11.919 -17.510 25.384 1.00 0.00 C ATOM 64 OD1 ASP A 384 12.326 -18.688 25.466 1.00 0.00 O ATOM 65 OD2 ASP A 384 11.777 -16.764 26.376 1.00 0.00 O ATOM 0 H ASP A 384 14.039 -16.782 22.567 1.00 0.00 H new ATOM 0 HA ASP A 384 11.950 -18.820 23.006 1.00 0.00 H new ATOM 0 HB2 ASP A 384 11.918 -15.924 23.949 1.00 0.00 H new ATOM 0 HB3 ASP A 384 10.497 -16.949 23.887 1.00 0.00 H new ATOM 70 N ASP A 385 10.459 -17.697 21.213 1.00 0.00 N ATOM 71 CA ASP A 385 9.834 -17.309 19.953 1.00 0.00 C ATOM 72 C ASP A 385 8.789 -16.220 20.176 1.00 0.00 C ATOM 73 O ASP A 385 8.222 -16.104 21.262 1.00 0.00 O ATOM 74 CB ASP A 385 9.189 -18.524 19.285 1.00 0.00 C ATOM 75 CG ASP A 385 8.124 -19.167 20.153 1.00 0.00 C ATOM 76 OD1 ASP A 385 7.713 -18.541 21.152 1.00 0.00 O ATOM 77 OD2 ASP A 385 7.701 -20.298 19.833 1.00 0.00 O ATOM 0 H ASP A 385 9.881 -18.293 21.805 1.00 0.00 H new ATOM 0 HA ASP A 385 10.610 -16.913 19.298 1.00 0.00 H new ATOM 0 HB2 ASP A 385 8.746 -18.220 18.337 1.00 0.00 H new ATOM 0 HB3 ASP A 385 9.959 -19.260 19.056 1.00 0.00 H new ATOM 82 N GLU A 386 8.539 -15.426 19.140 1.00 0.00 N ATOM 83 CA GLU A 386 7.562 -14.347 19.222 1.00 0.00 C ATOM 84 C GLU A 386 6.479 -14.512 18.161 1.00 0.00 C ATOM 85 O GLU A 386 6.710 -15.112 17.111 1.00 0.00 O ATOM 86 CB GLU A 386 8.252 -12.992 19.055 1.00 0.00 C ATOM 87 CG GLU A 386 9.293 -12.704 20.126 1.00 0.00 C ATOM 88 CD GLU A 386 10.627 -13.366 19.835 1.00 0.00 C ATOM 89 OE1 GLU A 386 10.841 -13.791 18.681 1.00 0.00 O ATOM 90 OE2 GLU A 386 11.458 -13.458 20.764 1.00 0.00 O ATOM 0 H GLU A 386 9.000 -15.510 18.234 1.00 0.00 H new ATOM 0 HA GLU A 386 7.093 -14.390 20.205 1.00 0.00 H new ATOM 0 HB2 GLU A 386 8.730 -12.955 18.076 1.00 0.00 H new ATOM 0 HB3 GLU A 386 7.498 -12.205 19.072 1.00 0.00 H new ATOM 0 HG2 GLU A 386 9.436 -11.627 20.208 1.00 0.00 H new ATOM 0 HG3 GLU A 386 8.922 -13.051 21.091 1.00 0.00 H new ATOM 97 N PHE A 387 5.295 -13.975 18.442 1.00 0.00 N ATOM 98 CA PHE A 387 4.177 -14.064 17.511 1.00 0.00 C ATOM 99 C PHE A 387 3.997 -12.753 16.752 1.00 0.00 C ATOM 100 O PHE A 387 3.871 -11.687 17.354 1.00 0.00 O ATOM 101 CB PHE A 387 2.890 -14.414 18.259 1.00 0.00 C ATOM 102 CG PHE A 387 1.709 -14.633 17.356 1.00 0.00 C ATOM 103 CD1 PHE A 387 1.482 -15.872 16.781 1.00 0.00 C ATOM 104 CD2 PHE A 387 0.830 -13.598 17.080 1.00 0.00 C ATOM 105 CE1 PHE A 387 0.397 -16.077 15.948 1.00 0.00 C ATOM 106 CE2 PHE A 387 -0.257 -13.797 16.249 1.00 0.00 C ATOM 107 CZ PHE A 387 -0.473 -15.038 15.683 1.00 0.00 C ATOM 0 H PHE A 387 5.086 -13.475 19.306 1.00 0.00 H new ATOM 0 HA PHE A 387 4.397 -14.853 16.792 1.00 0.00 H new ATOM 0 HB2 PHE A 387 3.057 -15.315 18.850 1.00 0.00 H new ATOM 0 HB3 PHE A 387 2.657 -13.612 18.959 1.00 0.00 H new ATOM 0 HD1 PHE A 387 2.160 -16.688 16.985 1.00 0.00 H new ATOM 0 HD2 PHE A 387 0.996 -12.625 17.519 1.00 0.00 H new ATOM 0 HE1 PHE A 387 0.231 -17.048 15.506 1.00 0.00 H new ATOM 0 HE2 PHE A 387 -0.936 -12.983 16.043 1.00 0.00 H new ATOM 0 HZ PHE A 387 -1.322 -15.196 15.034 1.00 0.00 H new ATOM 117 N GLU A 388 3.984 -12.840 15.425 1.00 0.00 N ATOM 118 CA GLU A 388 3.820 -11.661 14.583 1.00 0.00 C ATOM 119 C GLU A 388 2.764 -11.902 13.509 1.00 0.00 C ATOM 120 O GLU A 388 2.679 -12.992 12.942 1.00 0.00 O ATOM 121 CB GLU A 388 5.151 -11.284 13.931 1.00 0.00 C ATOM 122 CG GLU A 388 5.096 -9.987 13.139 1.00 0.00 C ATOM 123 CD GLU A 388 6.397 -9.683 12.423 1.00 0.00 C ATOM 124 OE1 GLU A 388 7.335 -10.503 12.518 1.00 0.00 O ATOM 125 OE2 GLU A 388 6.479 -8.624 11.764 1.00 0.00 O ATOM 0 H GLU A 388 4.085 -13.715 14.910 1.00 0.00 H new ATOM 0 HA GLU A 388 3.488 -10.838 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 388 5.913 -11.195 14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 388 5.463 -12.091 13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 388 4.289 -10.046 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 388 4.856 -9.165 13.813 1.00 0.00 H new ATOM 132 N GLU A 389 1.962 -10.879 13.233 1.00 0.00 N ATOM 133 CA GLU A 389 0.914 -10.981 12.225 1.00 0.00 C ATOM 134 C GLU A 389 1.365 -10.363 10.906 1.00 0.00 C ATOM 135 O GLU A 389 1.868 -9.240 10.875 1.00 0.00 O ATOM 136 CB GLU A 389 -0.362 -10.291 12.715 1.00 0.00 C ATOM 137 CG GLU A 389 -0.208 -8.791 12.908 1.00 0.00 C ATOM 138 CD GLU A 389 -1.443 -8.149 13.509 1.00 0.00 C ATOM 139 OE1 GLU A 389 -2.488 -8.828 13.589 1.00 0.00 O ATOM 140 OE2 GLU A 389 -1.366 -6.965 13.899 1.00 0.00 O ATOM 0 H GLU A 389 2.018 -9.970 13.693 1.00 0.00 H new ATOM 0 HA GLU A 389 0.707 -12.038 12.058 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -1.163 -10.476 11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -0.668 -10.741 13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 389 0.648 -8.598 13.554 1.00 0.00 H new ATOM 0 HG3 GLU A 389 0.007 -8.325 11.946 1.00 0.00 H new ATOM 147 N VAL A 390 1.184 -11.104 9.818 1.00 0.00 N ATOM 148 CA VAL A 390 1.574 -10.630 8.496 1.00 0.00 C ATOM 149 C VAL A 390 0.383 -10.615 7.543 1.00 0.00 C ATOM 150 O VAL A 390 -0.381 -11.577 7.473 1.00 0.00 O ATOM 151 CB VAL A 390 2.689 -11.504 7.892 1.00 0.00 C ATOM 152 CG1 VAL A 390 3.212 -10.890 6.602 1.00 0.00 C ATOM 153 CG2 VAL A 390 3.817 -11.699 8.894 1.00 0.00 C ATOM 0 H VAL A 390 0.769 -12.036 9.826 1.00 0.00 H new ATOM 0 HA VAL A 390 1.947 -9.614 8.623 1.00 0.00 H new ATOM 0 HB VAL A 390 2.270 -12.482 7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 390 3.999 -11.522 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 390 2.398 -10.809 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 390 3.614 -9.898 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 390 4.595 -12.319 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 390 4.235 -10.729 9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 390 3.429 -12.188 9.787 1.00 0.00 H new ATOM 163 N ALA A 391 0.234 -9.516 6.810 1.00 0.00 N ATOM 164 CA ALA A 391 -0.864 -9.375 5.860 1.00 0.00 C ATOM 165 C ALA A 391 -0.353 -9.422 4.423 1.00 0.00 C ATOM 166 O ALA A 391 0.787 -9.049 4.148 1.00 0.00 O ATOM 167 CB ALA A 391 -1.616 -8.077 6.112 1.00 0.00 C ATOM 0 H ALA A 391 0.859 -8.711 6.856 1.00 0.00 H new ATOM 0 HA ALA A 391 -1.548 -10.212 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -2.433 -7.985 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -2.020 -8.081 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -0.935 -7.234 5.996 1.00 0.00 H new ATOM 173 N ASP A 392 -1.204 -9.883 3.513 1.00 0.00 N ATOM 174 CA ASP A 392 -0.836 -9.978 2.105 1.00 0.00 C ATOM 175 C ASP A 392 -0.952 -8.621 1.419 1.00 0.00 C ATOM 176 O ASP A 392 -2.002 -8.274 0.879 1.00 0.00 O ATOM 177 CB ASP A 392 -1.725 -11.000 1.391 1.00 0.00 C ATOM 178 CG ASP A 392 -1.286 -11.251 -0.038 1.00 0.00 C ATOM 179 OD1 ASP A 392 -0.154 -10.859 -0.391 1.00 0.00 O ATOM 180 OD2 ASP A 392 -2.076 -11.840 -0.806 1.00 0.00 O ATOM 0 H ASP A 392 -2.151 -10.196 3.724 1.00 0.00 H new ATOM 0 HA ASP A 392 0.202 -10.306 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -1.709 -11.940 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -2.756 -10.646 1.394 1.00 0.00 H new ATOM 185 N ASP A 393 0.135 -7.856 1.446 1.00 0.00 N ATOM 186 CA ASP A 393 0.157 -6.536 0.827 1.00 0.00 C ATOM 187 C ASP A 393 1.243 -6.455 -0.244 1.00 0.00 C ATOM 188 O ASP A 393 2.143 -7.293 -0.291 1.00 0.00 O ATOM 189 CB ASP A 393 0.389 -5.457 1.887 1.00 0.00 C ATOM 190 CG ASP A 393 -0.910 -4.882 2.419 1.00 0.00 C ATOM 191 OD1 ASP A 393 -1.762 -5.668 2.882 1.00 0.00 O ATOM 192 OD2 ASP A 393 -1.074 -3.644 2.371 1.00 0.00 O ATOM 0 H ASP A 393 1.012 -8.128 1.890 1.00 0.00 H new ATOM 0 HA ASP A 393 -0.810 -6.368 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 393 0.962 -5.880 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 393 0.991 -4.655 1.460 1.00 0.00 H new ATOM 197 N PRO A 394 1.172 -5.439 -1.121 1.00 0.00 N ATOM 198 CA PRO A 394 2.155 -5.251 -2.194 1.00 0.00 C ATOM 199 C PRO A 394 3.534 -4.884 -1.657 1.00 0.00 C ATOM 200 O PRO A 394 3.657 -4.300 -0.580 1.00 0.00 O ATOM 201 CB PRO A 394 1.576 -4.096 -3.015 1.00 0.00 C ATOM 202 CG PRO A 394 0.697 -3.357 -2.065 1.00 0.00 C ATOM 203 CD PRO A 394 0.132 -4.394 -1.135 1.00 0.00 C ATOM 0 HA PRO A 394 2.306 -6.164 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 394 2.365 -3.453 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 394 1.012 -4.464 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 394 1.262 -2.605 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -0.098 -2.833 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -0.044 -3.988 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -0.822 -4.780 -1.495 1.00 0.00 H new ATOM 211 N ILE A 395 4.570 -5.233 -2.413 1.00 0.00 N ATOM 212 CA ILE A 395 5.941 -4.940 -2.012 1.00 0.00 C ATOM 213 C ILE A 395 6.240 -3.450 -2.127 1.00 0.00 C ATOM 214 O ILE A 395 5.643 -2.745 -2.941 1.00 0.00 O ATOM 215 CB ILE A 395 6.957 -5.726 -2.865 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.631 -7.220 -2.839 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.375 -5.479 -2.369 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.786 -7.847 -1.470 1.00 0.00 C ATOM 0 H ILE A 395 4.486 -5.719 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 395 6.039 -5.248 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 395 6.889 -5.376 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.607 -7.367 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.282 -7.738 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.078 -6.042 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.604 -4.416 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.459 -5.803 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.539 -8.907 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.816 -7.732 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.115 -7.354 -0.766 1.00 0.00 H new ATOM 230 N VAL A 396 7.170 -2.977 -1.305 1.00 0.00 N ATOM 231 CA VAL A 396 7.557 -1.572 -1.309 1.00 0.00 C ATOM 232 C VAL A 396 9.074 -1.426 -1.352 1.00 0.00 C ATOM 233 O VAL A 396 9.800 -2.199 -0.726 1.00 0.00 O ATOM 234 CB VAL A 396 7.013 -0.837 -0.067 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.609 -1.418 1.208 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.286 0.659 -0.162 1.00 0.00 C ATOM 0 H VAL A 396 7.671 -3.549 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 396 7.125 -1.123 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 396 5.933 -0.982 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.211 -0.885 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.349 -2.474 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.694 -1.312 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 396 6.894 1.157 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.361 0.829 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 396 6.799 1.062 -1.050 1.00 0.00 H new ATOM 246 N MET A 397 9.552 -0.432 -2.091 1.00 0.00 N ATOM 247 CA MET A 397 10.984 -0.192 -2.205 1.00 0.00 C ATOM 248 C MET A 397 11.481 0.654 -1.037 1.00 0.00 C ATOM 249 O MET A 397 11.118 1.822 -0.906 1.00 0.00 O ATOM 250 CB MET A 397 11.305 0.503 -3.528 1.00 0.00 C ATOM 251 CG MET A 397 11.054 -0.367 -4.749 1.00 0.00 C ATOM 252 SD MET A 397 12.385 -1.546 -5.048 1.00 0.00 S ATOM 253 CE MET A 397 11.919 -2.871 -3.938 1.00 0.00 C ATOM 0 H MET A 397 8.970 0.219 -2.619 1.00 0.00 H new ATOM 0 HA MET A 397 11.494 -1.155 -2.180 1.00 0.00 H new ATOM 0 HB2 MET A 397 10.704 1.409 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.350 0.813 -3.522 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.117 -0.908 -4.618 1.00 0.00 H new ATOM 0 HG3 MET A 397 10.934 0.270 -5.626 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.067 -3.830 -4.434 1.00 0.00 H new ATOM 0 HE2 MET A 397 12.536 -2.828 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 397 10.870 -2.763 -3.663 1.00 0.00 H new ATOM 263 N VAL A 398 12.315 0.056 -0.192 1.00 0.00 N ATOM 264 CA VAL A 398 12.863 0.754 0.964 1.00 0.00 C ATOM 265 C VAL A 398 14.382 0.843 0.878 1.00 0.00 C ATOM 266 O VAL A 398 15.077 -0.171 0.946 1.00 0.00 O ATOM 267 CB VAL A 398 12.475 0.053 2.279 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.897 0.891 3.477 1.00 0.00 C ATOM 269 CG2 VAL A 398 10.981 -0.226 2.314 1.00 0.00 C ATOM 0 H VAL A 398 12.626 -0.911 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 398 12.440 1.759 0.959 1.00 0.00 H new ATOM 0 HB VAL A 398 13.001 -0.900 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.614 0.379 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 398 13.977 1.034 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.402 1.861 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.725 -0.722 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.434 0.714 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.711 -0.870 1.477 1.00 0.00 H new ATOM 279 N ALA A 399 14.892 2.060 0.728 1.00 0.00 N ATOM 280 CA ALA A 399 16.330 2.280 0.632 1.00 0.00 C ATOM 281 C ALA A 399 16.943 1.455 -0.497 1.00 0.00 C ATOM 282 O ALA A 399 18.139 1.165 -0.488 1.00 0.00 O ATOM 283 CB ALA A 399 17.003 1.946 1.955 1.00 0.00 C ATOM 0 H ALA A 399 14.331 2.910 0.670 1.00 0.00 H new ATOM 0 HA ALA A 399 16.495 3.333 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.077 2.115 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.597 2.583 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.818 0.901 2.203 1.00 0.00 H new ATOM 289 N GLY A 400 16.117 1.081 -1.472 1.00 0.00 N ATOM 290 CA GLY A 400 16.600 0.296 -2.593 1.00 0.00 C ATOM 291 C GLY A 400 16.299 -1.185 -2.452 1.00 0.00 C ATOM 292 O GLY A 400 16.414 -1.939 -3.418 1.00 0.00 O ATOM 0 H GLY A 400 15.123 1.308 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.147 0.668 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.677 0.435 -2.690 1.00 0.00 H new ATOM 296 N ARG A 401 15.914 -1.605 -1.249 1.00 0.00 N ATOM 297 CA ARG A 401 15.602 -3.009 -0.998 1.00 0.00 C ATOM 298 C ARG A 401 14.092 -3.225 -0.898 1.00 0.00 C ATOM 299 O ARG A 401 13.363 -2.357 -0.418 1.00 0.00 O ATOM 300 CB ARG A 401 16.283 -3.482 0.287 1.00 0.00 C ATOM 301 CG ARG A 401 17.677 -4.045 0.065 1.00 0.00 C ATOM 302 CD ARG A 401 17.973 -5.192 1.017 1.00 0.00 C ATOM 303 NE ARG A 401 19.085 -6.017 0.551 1.00 0.00 N ATOM 304 CZ ARG A 401 20.356 -5.623 0.558 1.00 0.00 C ATOM 305 NH1 ARG A 401 20.680 -4.417 1.008 1.00 0.00 N ATOM 306 NH2 ARG A 401 21.305 -6.437 0.117 1.00 0.00 N ATOM 0 H ARG A 401 15.811 -0.996 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 401 15.978 -3.594 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.344 -2.647 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.663 -4.245 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.771 -4.392 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.416 -3.256 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 401 18.207 -4.793 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.083 -5.811 1.126 1.00 0.00 H new ATOM 0 HE ARG A 401 18.875 -6.951 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.953 -3.788 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 401 21.656 -4.119 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 401 21.061 -7.365 -0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 401 22.279 -6.135 0.122 1.00 0.00 H new ATOM 320 N PRO A 402 13.602 -4.392 -1.352 1.00 0.00 N ATOM 321 CA PRO A 402 12.174 -4.719 -1.313 1.00 0.00 C ATOM 322 C PRO A 402 11.699 -5.098 0.087 1.00 0.00 C ATOM 323 O PRO A 402 12.363 -5.855 0.795 1.00 0.00 O ATOM 324 CB PRO A 402 12.068 -5.919 -2.254 1.00 0.00 C ATOM 325 CG PRO A 402 13.397 -6.583 -2.163 1.00 0.00 C ATOM 326 CD PRO A 402 14.402 -5.484 -1.942 1.00 0.00 C ATOM 0 HA PRO A 402 11.553 -3.871 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.266 -6.592 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.850 -5.605 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.418 -7.300 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.619 -7.136 -3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.202 -5.801 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.871 -5.177 -2.876 1.00 0.00 H new ATOM 334 N PHE A 403 10.545 -4.567 0.475 1.00 0.00 N ATOM 335 CA PHE A 403 9.974 -4.849 1.788 1.00 0.00 C ATOM 336 C PHE A 403 8.450 -4.842 1.727 1.00 0.00 C ATOM 337 O PHE A 403 7.860 -4.261 0.818 1.00 0.00 O ATOM 338 CB PHE A 403 10.459 -3.822 2.812 1.00 0.00 C ATOM 339 CG PHE A 403 11.888 -4.020 3.232 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.201 -4.836 4.308 1.00 0.00 C ATOM 341 CD2 PHE A 403 12.918 -3.391 2.551 1.00 0.00 C ATOM 342 CE1 PHE A 403 13.514 -5.020 4.697 1.00 0.00 C ATOM 343 CE2 PHE A 403 14.232 -3.571 2.936 1.00 0.00 C ATOM 344 CZ PHE A 403 14.531 -4.387 4.009 1.00 0.00 C ATOM 0 H PHE A 403 9.986 -3.938 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 403 10.306 -5.841 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.348 -2.822 2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.820 -3.871 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 403 11.409 -5.334 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 403 12.691 -2.753 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 403 13.745 -5.658 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 403 15.025 -3.074 2.398 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.558 -4.530 4.310 1.00 0.00 H new ATOM 354 N SER A 404 7.819 -5.489 2.699 1.00 0.00 N ATOM 355 CA SER A 404 6.364 -5.552 2.751 1.00 0.00 C ATOM 356 C SER A 404 5.779 -4.195 3.127 1.00 0.00 C ATOM 357 O SER A 404 6.303 -3.503 4.001 1.00 0.00 O ATOM 358 CB SER A 404 5.911 -6.613 3.754 1.00 0.00 C ATOM 359 OG SER A 404 6.372 -7.900 3.379 1.00 0.00 O ATOM 0 H SER A 404 8.291 -5.977 3.461 1.00 0.00 H new ATOM 0 HA SER A 404 6.000 -5.825 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 404 6.287 -6.364 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.823 -6.617 3.817 1.00 0.00 H new ATOM 0 HG SER A 404 6.070 -8.560 4.037 1.00 0.00 H new ATOM 365 N TYR A 405 4.691 -3.818 2.463 1.00 0.00 N ATOM 366 CA TYR A 405 4.038 -2.541 2.730 1.00 0.00 C ATOM 367 C TYR A 405 3.613 -2.442 4.191 1.00 0.00 C ATOM 368 O TYR A 405 3.799 -1.408 4.833 1.00 0.00 O ATOM 369 CB TYR A 405 2.820 -2.368 1.820 1.00 0.00 C ATOM 370 CG TYR A 405 2.163 -1.011 1.939 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.914 0.155 1.850 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.793 -0.896 2.138 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.318 1.397 1.959 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.191 0.342 2.247 1.00 0.00 C ATOM 375 CZ TYR A 405 0.957 1.486 2.156 1.00 0.00 C ATOM 376 OH TYR A 405 0.360 2.720 2.265 1.00 0.00 O ATOM 0 H TYR A 405 4.243 -4.378 1.737 1.00 0.00 H new ATOM 0 HA TYR A 405 4.754 -1.745 2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.125 -2.525 0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.087 -3.139 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.981 0.089 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.189 -1.789 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.916 2.294 1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.875 0.414 2.403 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.604 2.606 2.400 1.00 0.00 H new ATOM 386 N SER A 406 3.041 -3.523 4.711 1.00 0.00 N ATOM 387 CA SER A 406 2.590 -3.556 6.098 1.00 0.00 C ATOM 388 C SER A 406 3.769 -3.431 7.057 1.00 0.00 C ATOM 389 O SER A 406 3.669 -2.778 8.096 1.00 0.00 O ATOM 390 CB SER A 406 1.827 -4.854 6.375 1.00 0.00 C ATOM 391 OG SER A 406 0.757 -5.022 5.461 1.00 0.00 O ATOM 0 H SER A 406 2.879 -4.387 4.194 1.00 0.00 H new ATOM 0 HA SER A 406 1.924 -2.708 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.508 -5.702 6.303 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.440 -4.842 7.394 1.00 0.00 H new ATOM 0 HG SER A 406 0.701 -5.963 5.192 1.00 0.00 H new ATOM 397 N GLU A 407 4.884 -4.062 6.703 1.00 0.00 N ATOM 398 CA GLU A 407 6.081 -4.021 7.536 1.00 0.00 C ATOM 399 C GLU A 407 6.608 -2.598 7.668 1.00 0.00 C ATOM 400 O GLU A 407 7.219 -2.240 8.675 1.00 0.00 O ATOM 401 CB GLU A 407 7.166 -4.928 6.952 1.00 0.00 C ATOM 402 CG GLU A 407 8.402 -5.039 7.829 1.00 0.00 C ATOM 403 CD GLU A 407 9.507 -5.850 7.180 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.284 -7.050 6.914 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.594 -5.285 6.938 1.00 0.00 O ATOM 0 H GLU A 407 4.984 -4.607 5.847 1.00 0.00 H new ATOM 0 HA GLU A 407 5.812 -4.380 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.751 -5.924 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.458 -4.548 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.774 -4.040 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.129 -5.499 8.779 1.00 0.00 H new ATOM 412 N VAL A 408 6.366 -1.792 6.645 1.00 0.00 N ATOM 413 CA VAL A 408 6.812 -0.404 6.641 1.00 0.00 C ATOM 414 C VAL A 408 6.011 0.431 7.636 1.00 0.00 C ATOM 415 O VAL A 408 6.578 1.199 8.414 1.00 0.00 O ATOM 416 CB VAL A 408 6.688 0.222 5.237 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.194 1.657 5.238 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.438 -0.614 4.208 1.00 0.00 C ATOM 0 H VAL A 408 5.862 -2.075 5.804 1.00 0.00 H new ATOM 0 HA VAL A 408 7.861 -0.405 6.935 1.00 0.00 H new ATOM 0 HB VAL A 408 5.633 0.236 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.097 2.078 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.607 2.249 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.242 1.673 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.338 -0.156 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.492 -0.665 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 408 7.021 -1.621 4.183 1.00 0.00 H new ATOM 428 N SER A 409 4.691 0.276 7.605 1.00 0.00 N ATOM 429 CA SER A 409 3.815 1.016 8.504 1.00 0.00 C ATOM 430 C SER A 409 4.088 0.650 9.957 1.00 0.00 C ATOM 431 O SER A 409 3.932 1.474 10.859 1.00 0.00 O ATOM 432 CB SER A 409 2.349 0.744 8.162 1.00 0.00 C ATOM 433 OG SER A 409 1.485 1.573 8.922 1.00 0.00 O ATOM 0 H SER A 409 4.206 -0.355 6.967 1.00 0.00 H new ATOM 0 HA SER A 409 4.019 2.079 8.374 1.00 0.00 H new ATOM 0 HB2 SER A 409 2.182 0.917 7.099 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.116 -0.303 8.355 1.00 0.00 H new ATOM 0 HG SER A 409 0.554 1.381 8.684 1.00 0.00 H new ATOM 439 N GLN A 410 4.498 -0.590 10.173 1.00 0.00 N ATOM 440 CA GLN A 410 4.800 -1.077 11.515 1.00 0.00 C ATOM 441 C GLN A 410 6.117 -0.502 12.021 1.00 0.00 C ATOM 442 O GLN A 410 6.326 -0.367 13.227 1.00 0.00 O ATOM 443 CB GLN A 410 4.857 -2.606 11.528 1.00 0.00 C ATOM 444 CG GLN A 410 3.513 -3.267 11.265 1.00 0.00 C ATOM 445 CD GLN A 410 3.578 -4.778 11.363 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.577 -5.341 12.458 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.635 -5.444 10.215 1.00 0.00 N ATOM 0 H GLN A 410 4.630 -1.282 9.435 1.00 0.00 H new ATOM 0 HA GLN A 410 4.002 -0.746 12.180 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.571 -2.941 10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.233 -2.939 12.495 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.781 -2.891 11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.162 -2.986 10.272 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.633 -4.936 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.680 -6.463 10.218 1.00 0.00 H new ATOM 456 N ARG A 411 6.999 -0.165 11.091 1.00 0.00 N ATOM 457 CA ARG A 411 8.300 0.397 11.434 1.00 0.00 C ATOM 458 C ARG A 411 8.505 1.747 10.749 1.00 0.00 C ATOM 459 O ARG A 411 8.905 1.803 9.586 1.00 0.00 O ATOM 460 CB ARG A 411 9.416 -0.567 11.028 1.00 0.00 C ATOM 461 CG ARG A 411 9.528 -1.785 11.931 1.00 0.00 C ATOM 462 CD ARG A 411 10.942 -2.341 11.944 1.00 0.00 C ATOM 463 NE ARG A 411 11.023 -3.615 12.653 1.00 0.00 N ATOM 464 CZ ARG A 411 10.951 -3.733 13.977 1.00 0.00 C ATOM 465 NH1 ARG A 411 10.797 -2.657 14.738 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.034 -4.929 14.542 1.00 0.00 N ATOM 0 H ARG A 411 6.838 -0.271 10.089 1.00 0.00 H new ATOM 0 HA ARG A 411 8.332 0.547 12.513 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.243 -0.899 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.366 -0.033 11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.233 -1.516 12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.836 -2.556 11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 411 11.289 -2.474 10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.610 -1.621 12.416 1.00 0.00 H new ATOM 0 HE ARG A 411 11.142 -4.465 12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 411 10.733 -1.734 14.309 1.00 0.00 H new ATOM 0 HH12 ARG A 411 10.742 -2.753 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 411 11.153 -5.760 13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 411 10.979 -5.019 15.557 1.00 0.00 H new ATOM 480 N PRO A 412 8.234 2.857 11.459 1.00 0.00 N ATOM 481 CA PRO A 412 8.394 4.205 10.902 1.00 0.00 C ATOM 482 C PRO A 412 9.838 4.505 10.520 1.00 0.00 C ATOM 483 O PRO A 412 10.099 5.330 9.643 1.00 0.00 O ATOM 484 CB PRO A 412 7.935 5.128 12.038 1.00 0.00 C ATOM 485 CG PRO A 412 8.036 4.304 13.274 1.00 0.00 C ATOM 486 CD PRO A 412 7.754 2.891 12.852 1.00 0.00 C ATOM 0 HA PRO A 412 7.823 4.332 9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.565 6.015 12.103 1.00 0.00 H new ATOM 0 HB3 PRO A 412 6.914 5.473 11.877 1.00 0.00 H new ATOM 0 HG2 PRO A 412 9.027 4.388 13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.320 4.637 14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.281 2.171 13.478 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.692 2.655 12.918 1.00 0.00 H new ATOM 494 N GLU A 413 10.775 3.831 11.180 1.00 0.00 N ATOM 495 CA GLU A 413 12.194 4.028 10.905 1.00 0.00 C ATOM 496 C GLU A 413 12.531 3.629 9.474 1.00 0.00 C ATOM 497 O GLU A 413 13.460 4.166 8.870 1.00 0.00 O ATOM 498 CB GLU A 413 13.044 3.222 11.888 1.00 0.00 C ATOM 499 CG GLU A 413 14.537 3.466 11.741 1.00 0.00 C ATOM 500 CD GLU A 413 15.365 2.572 12.645 1.00 0.00 C ATOM 501 OE1 GLU A 413 15.250 2.709 13.882 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.129 1.737 12.117 1.00 0.00 O ATOM 0 H GLU A 413 10.577 3.145 11.908 1.00 0.00 H new ATOM 0 HA GLU A 413 12.418 5.087 11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.742 3.470 12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.842 2.160 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.829 3.298 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.755 4.509 11.969 1.00 0.00 H new ATOM 509 N LEU A 414 11.767 2.689 8.938 1.00 0.00 N ATOM 510 CA LEU A 414 11.980 2.215 7.575 1.00 0.00 C ATOM 511 C LEU A 414 11.668 3.315 6.566 1.00 0.00 C ATOM 512 O LEU A 414 12.354 3.457 5.555 1.00 0.00 O ATOM 513 CB LEU A 414 11.109 0.988 7.294 1.00 0.00 C ATOM 514 CG LEU A 414 11.381 -0.221 8.192 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.552 -1.415 7.745 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.863 -0.567 8.185 1.00 0.00 C ATOM 0 H LEU A 414 10.993 2.238 9.425 1.00 0.00 H new ATOM 0 HA LEU A 414 13.029 1.936 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.062 1.273 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.253 0.689 6.256 1.00 0.00 H new ATOM 0 HG LEU A 414 11.092 0.035 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.759 -2.265 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.493 -1.164 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.810 -1.673 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 414 13.038 -1.429 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.177 -0.804 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.437 0.283 8.553 1.00 0.00 H new ATOM 528 N VAL A 415 10.629 4.094 6.850 1.00 0.00 N ATOM 529 CA VAL A 415 10.228 5.184 5.971 1.00 0.00 C ATOM 530 C VAL A 415 11.322 6.242 5.885 1.00 0.00 C ATOM 531 O VAL A 415 11.563 6.817 4.824 1.00 0.00 O ATOM 532 CB VAL A 415 8.921 5.844 6.452 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.444 6.884 5.448 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.847 4.792 6.690 1.00 0.00 C ATOM 0 H VAL A 415 10.050 3.990 7.683 1.00 0.00 H new ATOM 0 HA VAL A 415 10.061 4.754 4.983 1.00 0.00 H new ATOM 0 HB VAL A 415 9.119 6.350 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.520 7.338 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.206 7.655 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.264 6.405 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.932 5.277 7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.651 4.256 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.188 4.089 7.450 1.00 0.00 H new ATOM 544 N ALA A 416 11.982 6.493 7.011 1.00 0.00 N ATOM 545 CA ALA A 416 13.053 7.482 7.065 1.00 0.00 C ATOM 546 C ALA A 416 14.252 7.034 6.238 1.00 0.00 C ATOM 547 O ALA A 416 14.999 7.856 5.710 1.00 0.00 O ATOM 548 CB ALA A 416 13.465 7.737 8.507 1.00 0.00 C ATOM 0 H ALA A 416 11.794 6.026 7.898 1.00 0.00 H new ATOM 0 HA ALA A 416 12.679 8.413 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.265 8.477 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.609 8.109 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.817 6.808 8.955 1.00 0.00 H new ATOM 554 N GLN A 417 14.424 5.725 6.130 1.00 0.00 N ATOM 555 CA GLN A 417 15.528 5.155 5.365 1.00 0.00 C ATOM 556 C GLN A 417 15.259 5.242 3.867 1.00 0.00 C ATOM 557 O GLN A 417 16.185 5.201 3.056 1.00 0.00 O ATOM 558 CB GLN A 417 15.760 3.698 5.772 1.00 0.00 C ATOM 559 CG GLN A 417 16.205 3.532 7.215 1.00 0.00 C ATOM 560 CD GLN A 417 16.379 2.079 7.608 1.00 0.00 C ATOM 561 OE1 GLN A 417 15.894 1.176 6.924 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.073 1.843 8.714 1.00 0.00 N ATOM 0 H GLN A 417 13.812 5.034 6.563 1.00 0.00 H new ATOM 0 HA GLN A 417 16.425 5.734 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.839 3.136 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.513 3.262 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.147 4.060 7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.471 3.997 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.457 2.621 9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.222 0.884 9.028 1.00 0.00 H new ATOM 571 N MET A 418 13.987 5.361 3.506 1.00 0.00 N ATOM 572 CA MET A 418 13.594 5.452 2.104 1.00 0.00 C ATOM 573 C MET A 418 13.982 6.804 1.515 1.00 0.00 C ATOM 574 O MET A 418 13.671 7.852 2.084 1.00 0.00 O ATOM 575 CB MET A 418 12.085 5.245 1.963 1.00 0.00 C ATOM 576 CG MET A 418 11.611 3.879 2.427 1.00 0.00 C ATOM 577 SD MET A 418 10.219 3.266 1.460 1.00 0.00 S ATOM 578 CE MET A 418 9.137 2.673 2.758 1.00 0.00 C ATOM 0 H MET A 418 13.209 5.397 4.165 1.00 0.00 H new ATOM 0 HA MET A 418 14.119 4.670 1.556 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.567 6.014 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.804 5.382 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.436 3.170 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.323 3.935 3.477 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.506 1.874 2.369 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.736 2.292 3.585 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.510 3.492 3.111 1.00 0.00 H new ATOM 588 N THR A 419 14.653 6.777 0.369 1.00 0.00 N ATOM 589 CA THR A 419 15.070 8.005 -0.299 1.00 0.00 C ATOM 590 C THR A 419 13.847 8.806 -0.738 1.00 0.00 C ATOM 591 O THR A 419 12.722 8.311 -0.679 1.00 0.00 O ATOM 592 CB THR A 419 15.952 7.684 -1.508 1.00 0.00 C ATOM 593 OG1 THR A 419 15.161 7.318 -2.625 1.00 0.00 O ATOM 594 CG2 THR A 419 16.935 6.560 -1.256 1.00 0.00 C ATOM 0 H THR A 419 14.920 5.920 -0.116 1.00 0.00 H new ATOM 0 HA THR A 419 15.650 8.603 0.404 1.00 0.00 H new ATOM 0 HB THR A 419 16.513 8.598 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.739 6.967 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.527 6.386 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.596 6.832 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.391 5.651 -0.999 1.00 0.00 H new ATOM 602 N PRO A 420 14.043 10.059 -1.184 1.00 0.00 N ATOM 603 CA PRO A 420 12.936 10.912 -1.625 1.00 0.00 C ATOM 604 C PRO A 420 12.071 10.232 -2.678 1.00 0.00 C ATOM 605 O PRO A 420 10.861 10.085 -2.497 1.00 0.00 O ATOM 606 CB PRO A 420 13.638 12.140 -2.211 1.00 0.00 C ATOM 607 CG PRO A 420 14.963 12.177 -1.529 1.00 0.00 C ATOM 608 CD PRO A 420 15.345 10.742 -1.291 1.00 0.00 C ATOM 0 HA PRO A 420 12.254 11.151 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.751 12.054 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.069 13.050 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.706 12.682 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.903 12.726 -0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.942 10.343 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.935 10.628 -0.382 1.00 0.00 H new ATOM 616 N GLU A 421 12.693 9.803 -3.771 1.00 0.00 N ATOM 617 CA GLU A 421 11.967 9.123 -4.835 1.00 0.00 C ATOM 618 C GLU A 421 11.331 7.851 -4.294 1.00 0.00 C ATOM 619 O GLU A 421 10.205 7.503 -4.652 1.00 0.00 O ATOM 620 CB GLU A 421 12.903 8.791 -5.998 1.00 0.00 C ATOM 621 CG GLU A 421 13.426 10.019 -6.728 1.00 0.00 C ATOM 622 CD GLU A 421 14.634 10.633 -6.045 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.243 9.956 -5.191 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.970 11.793 -6.366 1.00 0.00 O ATOM 0 H GLU A 421 13.692 9.914 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 421 11.184 9.786 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.748 8.216 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.375 8.154 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 421 13.691 9.745 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 421 12.633 10.764 -6.793 1.00 0.00 H new ATOM 631 N GLU A 422 12.057 7.170 -3.414 1.00 0.00 N ATOM 632 CA GLU A 422 11.564 5.945 -2.804 1.00 0.00 C ATOM 633 C GLU A 422 10.365 6.244 -1.913 1.00 0.00 C ATOM 634 O GLU A 422 9.436 5.444 -1.815 1.00 0.00 O ATOM 635 CB GLU A 422 12.670 5.271 -1.989 1.00 0.00 C ATOM 636 CG GLU A 422 13.774 4.669 -2.843 1.00 0.00 C ATOM 637 CD GLU A 422 13.263 3.600 -3.789 1.00 0.00 C ATOM 638 OE1 GLU A 422 12.130 3.117 -3.582 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.995 3.247 -4.737 1.00 0.00 O ATOM 0 H GLU A 422 12.990 7.448 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 422 11.252 5.266 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.106 6.003 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.230 4.487 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.254 5.460 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.537 4.240 -2.194 1.00 0.00 H new ATOM 646 N LYS A 423 10.389 7.410 -1.269 1.00 0.00 N ATOM 647 CA LYS A 423 9.296 7.816 -0.396 1.00 0.00 C ATOM 648 C LYS A 423 8.023 8.019 -1.206 1.00 0.00 C ATOM 649 O LYS A 423 6.921 7.734 -0.735 1.00 0.00 O ATOM 650 CB LYS A 423 9.657 9.104 0.346 1.00 0.00 C ATOM 651 CG LYS A 423 8.659 9.480 1.430 1.00 0.00 C ATOM 652 CD LYS A 423 9.047 10.776 2.121 1.00 0.00 C ATOM 653 CE LYS A 423 8.185 11.035 3.346 1.00 0.00 C ATOM 654 NZ LYS A 423 8.796 12.046 4.252 1.00 0.00 N ATOM 0 H LYS A 423 11.151 8.085 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 423 9.126 7.027 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.644 8.991 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.726 9.921 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.666 9.584 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.600 8.678 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.096 10.733 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.946 11.606 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.200 11.379 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.038 10.102 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 8.177 12.194 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.725 11.707 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.913 12.944 3.741 1.00 0.00 H new ATOM 668 N GLU A 424 8.184 8.507 -2.432 1.00 0.00 N ATOM 669 CA GLU A 424 7.049 8.742 -3.315 1.00 0.00 C ATOM 670 C GLU A 424 6.365 7.429 -3.671 1.00 0.00 C ATOM 671 O GLU A 424 5.140 7.330 -3.636 1.00 0.00 O ATOM 672 CB GLU A 424 7.509 9.460 -4.586 1.00 0.00 C ATOM 673 CG GLU A 424 7.688 10.959 -4.407 1.00 0.00 C ATOM 674 CD GLU A 424 8.100 11.657 -5.689 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.463 10.956 -6.658 1.00 0.00 O ATOM 676 OE2 GLU A 424 8.061 12.905 -5.725 1.00 0.00 O ATOM 0 H GLU A 424 9.089 8.747 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 424 6.331 9.374 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.453 9.027 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.782 9.281 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.755 11.392 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.441 11.142 -3.641 1.00 0.00 H new ATOM 683 N ALA A 425 7.163 6.417 -4.002 1.00 0.00 N ATOM 684 CA ALA A 425 6.623 5.108 -4.352 1.00 0.00 C ATOM 685 C ALA A 425 5.797 4.544 -3.204 1.00 0.00 C ATOM 686 O ALA A 425 4.833 3.809 -3.413 1.00 0.00 O ATOM 687 CB ALA A 425 7.747 4.151 -4.721 1.00 0.00 C ATOM 0 H ALA A 425 8.181 6.478 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 425 5.971 5.225 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.327 3.179 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.297 4.547 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.423 4.040 -3.874 1.00 0.00 H new ATOM 693 N TYR A 426 6.181 4.914 -1.991 1.00 0.00 N ATOM 694 CA TYR A 426 5.483 4.471 -0.790 1.00 0.00 C ATOM 695 C TYR A 426 4.110 5.115 -0.711 1.00 0.00 C ATOM 696 O TYR A 426 3.109 4.459 -0.420 1.00 0.00 O ATOM 697 CB TYR A 426 6.284 4.861 0.450 1.00 0.00 C ATOM 698 CG TYR A 426 5.648 4.424 1.751 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.583 3.082 2.103 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.113 5.360 2.628 1.00 0.00 C ATOM 701 CE1 TYR A 426 5.001 2.685 3.292 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.531 4.971 3.818 1.00 0.00 C ATOM 703 CZ TYR A 426 4.477 3.633 4.146 1.00 0.00 C ATOM 704 OH TYR A 426 3.897 3.241 5.331 1.00 0.00 O ATOM 0 H TYR A 426 6.978 5.524 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 426 5.374 3.387 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.280 4.425 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.410 5.944 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.994 2.337 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.153 6.409 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.957 1.638 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.120 5.711 4.489 1.00 0.00 H new ATOM 0 HH TYR A 426 3.579 4.031 5.816 1.00 0.00 H new ATOM 714 N ILE A 427 4.085 6.415 -0.959 1.00 0.00 N ATOM 715 CA ILE A 427 2.861 7.190 -0.909 1.00 0.00 C ATOM 716 C ILE A 427 2.010 6.985 -2.160 1.00 0.00 C ATOM 717 O ILE A 427 0.781 7.009 -2.094 1.00 0.00 O ATOM 718 CB ILE A 427 3.184 8.687 -0.744 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.931 8.919 0.571 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.914 9.515 -0.791 1.00 0.00 C ATOM 721 CD1 ILE A 427 4.278 10.369 0.826 1.00 0.00 C ATOM 0 H ILE A 427 4.913 6.960 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 427 2.289 6.841 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 427 3.823 9.001 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.320 8.550 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.849 8.331 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.163 10.570 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.417 9.365 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.248 9.207 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 427 4.806 10.455 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 427 4.915 10.737 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 427 3.363 10.961 0.864 1.00 0.00 H new ATOM 733 N ALA A 428 2.666 6.790 -3.295 1.00 0.00 N ATOM 734 CA ALA A 428 1.961 6.591 -4.553 1.00 0.00 C ATOM 735 C ALA A 428 1.066 5.359 -4.495 1.00 0.00 C ATOM 736 O ALA A 428 -0.025 5.344 -5.067 1.00 0.00 O ATOM 737 CB ALA A 428 2.953 6.474 -5.701 1.00 0.00 C ATOM 0 H ALA A 428 3.683 6.765 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 428 1.325 7.459 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.412 6.325 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.544 7.387 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.614 5.625 -5.526 1.00 0.00 H new ATOM 743 N MET A 429 1.531 4.324 -3.801 1.00 0.00 N ATOM 744 CA MET A 429 0.768 3.088 -3.670 1.00 0.00 C ATOM 745 C MET A 429 -0.582 3.348 -3.008 1.00 0.00 C ATOM 746 O MET A 429 -1.582 2.715 -3.346 1.00 0.00 O ATOM 747 CB MET A 429 1.555 2.058 -2.859 1.00 0.00 C ATOM 748 CG MET A 429 2.683 1.401 -3.640 1.00 0.00 C ATOM 749 SD MET A 429 3.475 0.064 -2.726 1.00 0.00 S ATOM 750 CE MET A 429 4.063 0.944 -1.281 1.00 0.00 C ATOM 0 H MET A 429 2.431 4.317 -3.322 1.00 0.00 H new ATOM 0 HA MET A 429 0.593 2.694 -4.671 1.00 0.00 H new ATOM 0 HB2 MET A 429 1.970 2.544 -1.976 1.00 0.00 H new ATOM 0 HB3 MET A 429 0.871 1.286 -2.506 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.290 1.011 -4.579 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.429 2.153 -3.895 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.562 0.246 -0.608 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.766 1.718 -1.588 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.219 1.404 -0.767 1.00 0.00 H new ATOM 760 N GLY A 430 -0.603 4.286 -2.067 1.00 0.00 N ATOM 761 CA GLY A 430 -1.836 4.614 -1.375 1.00 0.00 C ATOM 762 C GLY A 430 -2.931 5.059 -2.324 1.00 0.00 C ATOM 763 O GLY A 430 -4.083 4.647 -2.193 1.00 0.00 O ATOM 0 H GLY A 430 0.211 4.825 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -2.177 3.744 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -1.643 5.405 -0.650 1.00 0.00 H new ATOM 767 N GLN A 431 -2.569 5.903 -3.285 1.00 0.00 N ATOM 768 CA GLN A 431 -3.526 6.405 -4.264 1.00 0.00 C ATOM 769 C GLN A 431 -4.042 5.273 -5.147 1.00 0.00 C ATOM 770 O GLN A 431 -5.214 5.249 -5.523 1.00 0.00 O ATOM 771 CB GLN A 431 -2.883 7.491 -5.128 1.00 0.00 C ATOM 772 CG GLN A 431 -2.527 8.750 -4.357 1.00 0.00 C ATOM 773 CD GLN A 431 -1.841 9.789 -5.222 1.00 0.00 C ATOM 774 OE1 GLN A 431 -1.358 9.485 -6.312 1.00 0.00 O ATOM 775 NE2 GLN A 431 -1.794 11.025 -4.739 1.00 0.00 N ATOM 0 H GLN A 431 -1.619 6.254 -3.406 1.00 0.00 H new ATOM 0 HA GLN A 431 -4.370 6.835 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -1.980 7.090 -5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -3.565 7.751 -5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -3.434 9.179 -3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -1.875 8.489 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -2.207 11.233 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -1.345 11.766 -5.277 1.00 0.00 H new ATOM 784 N ARG A 432 -3.157 4.336 -5.474 1.00 0.00 N ATOM 785 CA ARG A 432 -3.520 3.201 -6.313 1.00 0.00 C ATOM 786 C ARG A 432 -4.599 2.353 -5.646 1.00 0.00 C ATOM 787 O ARG A 432 -5.421 1.732 -6.321 1.00 0.00 O ATOM 788 CB ARG A 432 -2.288 2.341 -6.604 1.00 0.00 C ATOM 789 CG ARG A 432 -1.205 3.074 -7.377 1.00 0.00 C ATOM 790 CD ARG A 432 -1.662 3.421 -8.785 1.00 0.00 C ATOM 791 NE ARG A 432 -0.589 4.021 -9.576 1.00 0.00 N ATOM 792 CZ ARG A 432 0.462 3.345 -10.032 1.00 0.00 C ATOM 793 NH1 ARG A 432 0.587 2.049 -9.779 1.00 0.00 N ATOM 794 NH2 ARG A 432 1.392 3.968 -10.745 1.00 0.00 N ATOM 0 H ARG A 432 -2.183 4.341 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 432 -3.916 3.588 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -1.872 1.985 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -2.595 1.461 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -0.933 3.987 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -0.309 2.455 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -2.019 2.519 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -2.504 4.111 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 432 -0.650 5.016 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -0.125 1.565 -9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 432 1.395 1.536 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 432 1.301 4.964 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 432 2.198 3.450 -11.095 1.00 0.00 H new ATOM 808 N MET A 433 -4.592 2.331 -4.317 1.00 0.00 N ATOM 809 CA MET A 433 -5.569 1.559 -3.558 1.00 0.00 C ATOM 810 C MET A 433 -6.992 1.982 -3.905 1.00 0.00 C ATOM 811 O MET A 433 -7.929 1.190 -3.807 1.00 0.00 O ATOM 812 CB MET A 433 -5.327 1.723 -2.056 1.00 0.00 C ATOM 813 CG MET A 433 -3.972 1.211 -1.598 1.00 0.00 C ATOM 814 SD MET A 433 -3.704 -0.521 -2.025 1.00 0.00 S ATOM 815 CE MET A 433 -4.984 -1.310 -1.053 1.00 0.00 C ATOM 0 H MET A 433 -3.920 2.840 -3.743 1.00 0.00 H new ATOM 0 HA MET A 433 -5.448 0.509 -3.826 1.00 0.00 H new ATOM 0 HB2 MET A 433 -5.414 2.778 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 433 -6.109 1.194 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 433 -3.187 1.818 -2.049 1.00 0.00 H new ATOM 0 HG3 MET A 433 -3.888 1.332 -0.518 1.00 0.00 H new ATOM 0 HE1 MET A 433 -4.798 -2.383 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 433 -4.979 -0.899 -0.043 1.00 0.00 H new ATOM 0 HE3 MET A 433 -5.955 -1.128 -1.514 1.00 0.00 H new ATOM 825 N PHE A 434 -7.142 3.234 -4.312 1.00 0.00 N ATOM 826 CA PHE A 434 -8.448 3.771 -4.677 1.00 0.00 C ATOM 827 C PHE A 434 -8.843 3.348 -6.091 1.00 0.00 C ATOM 828 O PHE A 434 -10.014 3.411 -6.462 1.00 0.00 O ATOM 829 CB PHE A 434 -8.444 5.297 -4.572 1.00 0.00 C ATOM 830 CG PHE A 434 -8.260 5.802 -3.169 1.00 0.00 C ATOM 831 CD1 PHE A 434 -9.349 5.951 -2.325 1.00 0.00 C ATOM 832 CD2 PHE A 434 -6.999 6.126 -2.695 1.00 0.00 C ATOM 833 CE1 PHE A 434 -9.182 6.415 -1.034 1.00 0.00 C ATOM 834 CE2 PHE A 434 -6.827 6.590 -1.405 1.00 0.00 C ATOM 835 CZ PHE A 434 -7.920 6.734 -0.573 1.00 0.00 C ATOM 0 H PHE A 434 -6.374 3.900 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 434 -9.182 3.366 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -7.646 5.694 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -9.383 5.683 -4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -10.338 5.702 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -6.141 6.015 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -10.038 6.528 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -5.839 6.840 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 434 -7.788 7.095 0.436 1.00 0.00 H new ATOM 845 N GLU A 435 -7.859 2.917 -6.874 1.00 0.00 N ATOM 846 CA GLU A 435 -8.108 2.485 -8.246 1.00 0.00 C ATOM 847 C GLU A 435 -8.660 1.062 -8.287 1.00 0.00 C ATOM 848 O GLU A 435 -9.236 0.641 -9.289 1.00 0.00 O ATOM 849 CB GLU A 435 -6.822 2.568 -9.069 1.00 0.00 C ATOM 850 CG GLU A 435 -7.020 2.250 -10.542 1.00 0.00 C ATOM 851 CD GLU A 435 -5.717 2.240 -11.320 1.00 0.00 C ATOM 852 OE1 GLU A 435 -4.652 2.440 -10.699 1.00 0.00 O ATOM 853 OE2 GLU A 435 -5.763 2.031 -12.550 1.00 0.00 O ATOM 0 H GLU A 435 -6.883 2.857 -6.583 1.00 0.00 H new ATOM 0 HA GLU A 435 -8.854 3.153 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -6.405 3.571 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -6.089 1.877 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -7.503 1.277 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -7.695 2.985 -10.981 1.00 0.00 H new ATOM 860 N ASP A 436 -8.483 0.326 -7.195 1.00 0.00 N ATOM 861 CA ASP A 436 -8.965 -1.048 -7.115 1.00 0.00 C ATOM 862 C ASP A 436 -9.479 -1.365 -5.714 1.00 0.00 C ATOM 863 O ASP A 436 -8.783 -1.987 -4.912 1.00 0.00 O ATOM 864 CB ASP A 436 -7.851 -2.026 -7.494 1.00 0.00 C ATOM 865 CG ASP A 436 -8.338 -3.460 -7.569 1.00 0.00 C ATOM 866 OD1 ASP A 436 -9.568 -3.668 -7.606 1.00 0.00 O ATOM 867 OD2 ASP A 436 -7.486 -4.375 -7.588 1.00 0.00 O ATOM 0 H ASP A 436 -8.010 0.657 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 436 -9.790 -1.157 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -7.431 -1.737 -8.458 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -7.046 -1.957 -6.762 1.00 0.00 H new ATOM 872 N LEU A 437 -10.704 -0.934 -5.429 1.00 0.00 N ATOM 873 CA LEU A 437 -11.315 -1.172 -4.127 1.00 0.00 C ATOM 874 C LEU A 437 -12.827 -1.323 -4.255 1.00 0.00 C ATOM 875 O LEU A 437 -13.579 -0.385 -3.991 1.00 0.00 O ATOM 876 CB LEU A 437 -10.981 -0.028 -3.164 1.00 0.00 C ATOM 877 CG LEU A 437 -9.779 -0.278 -2.253 1.00 0.00 C ATOM 878 CD1 LEU A 437 -9.403 0.991 -1.506 1.00 0.00 C ATOM 879 CD2 LEU A 437 -10.076 -1.407 -1.277 1.00 0.00 C ATOM 0 H LEU A 437 -11.293 -0.418 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 437 -10.909 -2.101 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 437 -10.794 0.874 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 437 -11.854 0.169 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 437 -8.932 -0.574 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 437 -8.546 0.794 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 437 -9.148 1.772 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 437 -10.246 1.318 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 437 -9.210 -1.571 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 437 -10.936 -1.140 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 437 -10.295 -2.319 -1.832 1.00 0.00 H new ATOM 891 N PHE A 438 -13.266 -2.510 -4.662 1.00 0.00 N ATOM 892 CA PHE A 438 -14.689 -2.784 -4.826 1.00 0.00 C ATOM 893 C PHE A 438 -15.110 -3.989 -3.991 1.00 0.00 C ATOM 894 O PHE A 438 -14.337 -4.930 -3.807 1.00 0.00 O ATOM 895 CB PHE A 438 -15.016 -3.030 -6.299 1.00 0.00 C ATOM 896 CG PHE A 438 -16.486 -3.186 -6.569 1.00 0.00 C ATOM 897 CD1 PHE A 438 -17.293 -2.073 -6.742 1.00 0.00 C ATOM 898 CD2 PHE A 438 -17.059 -4.445 -6.651 1.00 0.00 C ATOM 899 CE1 PHE A 438 -18.646 -2.213 -6.991 1.00 0.00 C ATOM 900 CE2 PHE A 438 -18.411 -4.591 -6.900 1.00 0.00 C ATOM 901 CZ PHE A 438 -19.206 -3.474 -7.070 1.00 0.00 C ATOM 0 H PHE A 438 -12.657 -3.297 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 438 -15.244 -1.912 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 438 -14.632 -2.200 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 438 -14.496 -3.928 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 438 -16.861 -1.085 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 438 -16.443 -5.322 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 438 -19.265 -1.338 -7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 438 -18.846 -5.578 -6.962 1.00 0.00 H new ATOM 0 HZ PHE A 438 -20.262 -3.586 -7.264 1.00 0.00 H new ATOM 911 N GLU A 439 -16.339 -3.953 -3.487 1.00 0.00 N ATOM 912 CA GLU A 439 -16.862 -5.043 -2.671 1.00 0.00 C ATOM 913 C GLU A 439 -18.341 -5.278 -2.961 1.00 0.00 C ATOM 914 O GLU A 439 -18.697 -6.414 -3.341 1.00 0.00 O ATOM 915 CB GLU A 439 -16.664 -4.737 -1.186 1.00 0.00 C ATOM 916 CG GLU A 439 -15.204 -4.648 -0.773 1.00 0.00 C ATOM 917 CD GLU A 439 -14.581 -3.308 -1.113 1.00 0.00 C ATOM 918 OE1 GLU A 439 -15.340 -2.351 -1.377 1.00 0.00 O ATOM 919 OE2 GLU A 439 -13.336 -3.216 -1.116 1.00 0.00 O ATOM 920 OXT GLU A 439 -19.132 -4.324 -2.805 1.00 0.00 O ATOM 0 H GLU A 439 -16.991 -3.182 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 439 -16.312 -5.949 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -17.158 -3.795 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -17.154 -5.511 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -15.123 -4.820 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -14.642 -5.441 -1.266 1.00 0.00 H new TER 927 GLU A 439