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= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 397 MET CE :methyl -112:sc= -3.23 (180deg=-5.65!) 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 -35:sc= 0.836 USER MOD Single : A 417 GLN :FLIP amide:sc= -0.0672 F(o=-0.67,f=-0.067) USER MOD Single : A 418 MET CE :methyl -154:sc= -2.4! (180deg=-3.25!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -1.06 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 -115:sc= -8.17! (180deg=-12.3!) USER MOD Single : A 431 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 433 MET CE :methyl -164:sc= -0.0532 (180deg=-0.436) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 380 -5.665 -32.984 0.569 1.00 0.00 N ATOM 2 CA ASP A 380 -5.237 -31.597 0.890 1.00 0.00 C ATOM 3 C ASP A 380 -6.318 -30.852 1.666 1.00 0.00 C ATOM 4 O ASP A 380 -6.019 -30.033 2.536 1.00 0.00 O ATOM 5 CB ASP A 380 -4.928 -30.866 -0.418 1.00 0.00 C ATOM 6 CG ASP A 380 -3.731 -31.453 -1.140 1.00 0.00 C ATOM 7 OD1 ASP A 380 -2.958 -32.200 -0.502 1.00 0.00 O ATOM 8 OD2 ASP A 380 -3.564 -31.165 -2.344 1.00 0.00 O ATOM 0 HA ASP A 380 -4.348 -31.634 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 380 -5.800 -30.910 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 380 -4.741 -29.813 -0.207 1.00 0.00 H new ATOM 13 N GLU A 381 -7.575 -31.141 1.346 1.00 0.00 N ATOM 14 CA GLU A 381 -8.701 -30.498 2.012 1.00 0.00 C ATOM 15 C GLU A 381 -8.976 -31.148 3.365 1.00 0.00 C ATOM 16 O GLU A 381 -8.882 -32.368 3.509 1.00 0.00 O ATOM 17 CB GLU A 381 -9.951 -30.573 1.134 1.00 0.00 C ATOM 18 CG GLU A 381 -9.801 -29.861 -0.200 1.00 0.00 C ATOM 19 CD GLU A 381 -11.075 -29.888 -1.024 1.00 0.00 C ATOM 20 OE1 GLU A 381 -11.996 -30.655 -0.670 1.00 0.00 O ATOM 21 OE2 GLU A 381 -11.150 -29.143 -2.024 1.00 0.00 O ATOM 0 H GLU A 381 -7.839 -31.817 0.629 1.00 0.00 H new ATOM 0 HA GLU A 381 -8.444 -29.452 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 381 -10.195 -31.620 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 381 -10.792 -30.139 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 381 -9.509 -28.826 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 381 -8.996 -30.327 -0.768 1.00 0.00 H new ATOM 28 N GLU A 382 -9.315 -30.326 4.352 1.00 0.00 N ATOM 29 CA GLU A 382 -9.603 -30.821 5.694 1.00 0.00 C ATOM 30 C GLU A 382 -11.043 -30.510 6.090 1.00 0.00 C ATOM 31 O GLU A 382 -11.621 -29.521 5.641 1.00 0.00 O ATOM 32 CB GLU A 382 -8.639 -30.200 6.706 1.00 0.00 C ATOM 33 CG GLU A 382 -7.179 -30.525 6.434 1.00 0.00 C ATOM 34 CD GLU A 382 -6.246 -29.946 7.480 1.00 0.00 C ATOM 35 OE1 GLU A 382 -6.694 -29.082 8.263 1.00 0.00 O ATOM 36 OE2 GLU A 382 -5.067 -30.356 7.516 1.00 0.00 O ATOM 0 H GLU A 382 -9.397 -29.315 4.249 1.00 0.00 H new ATOM 0 HA GLU A 382 -9.470 -31.903 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -8.769 -29.118 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -8.900 -30.548 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -7.052 -31.607 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -6.902 -30.140 5.453 1.00 0.00 H new ATOM 43 N GLU A 383 -11.617 -31.362 6.934 1.00 0.00 N ATOM 44 CA GLU A 383 -12.989 -31.177 7.390 1.00 0.00 C ATOM 45 C GLU A 383 -13.023 -30.612 8.806 1.00 0.00 C ATOM 46 O GLU A 383 -13.348 -29.443 9.011 1.00 0.00 O ATOM 47 CB GLU A 383 -13.749 -32.505 7.338 1.00 0.00 C ATOM 48 CG GLU A 383 -13.860 -33.087 5.939 1.00 0.00 C ATOM 49 CD GLU A 383 -14.676 -34.366 5.901 1.00 0.00 C ATOM 50 OE1 GLU A 383 -14.961 -34.922 6.982 1.00 0.00 O ATOM 51 OE2 GLU A 383 -15.031 -34.810 4.789 1.00 0.00 O ATOM 0 H GLU A 383 -11.153 -32.186 7.315 1.00 0.00 H new ATOM 0 HA GLU A 383 -13.473 -30.463 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 383 -13.248 -33.226 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 383 -14.751 -32.357 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 383 -14.316 -32.350 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 383 -12.861 -33.287 5.552 1.00 0.00 H new ATOM 58 N ASP A 384 -12.683 -31.450 9.781 1.00 0.00 N ATOM 59 CA ASP A 384 -12.674 -31.032 11.179 1.00 0.00 C ATOM 60 C ASP A 384 -11.697 -29.881 11.396 1.00 0.00 C ATOM 61 O ASP A 384 -11.990 -28.934 12.126 1.00 0.00 O ATOM 62 CB ASP A 384 -12.303 -32.210 12.082 1.00 0.00 C ATOM 63 CG ASP A 384 -12.462 -31.881 13.554 1.00 0.00 C ATOM 64 OD1 ASP A 384 -13.595 -31.993 14.068 1.00 0.00 O ATOM 65 OD2 ASP A 384 -11.454 -31.512 14.192 1.00 0.00 O ATOM 0 H ASP A 384 -12.410 -32.421 9.629 1.00 0.00 H new ATOM 0 HA ASP A 384 -13.675 -30.687 11.437 1.00 0.00 H new ATOM 0 HB2 ASP A 384 -12.930 -33.066 11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 384 -11.271 -32.503 11.887 1.00 0.00 H new ATOM 70 N ASP A 385 -10.534 -29.972 10.760 1.00 0.00 N ATOM 71 CA ASP A 385 -9.513 -28.938 10.885 1.00 0.00 C ATOM 72 C ASP A 385 -9.648 -27.902 9.773 1.00 0.00 C ATOM 73 O ASP A 385 -9.517 -28.225 8.593 1.00 0.00 O ATOM 74 CB ASP A 385 -8.117 -29.562 10.849 1.00 0.00 C ATOM 75 CG ASP A 385 -7.019 -28.548 11.108 1.00 0.00 C ATOM 76 OD1 ASP A 385 -7.344 -27.403 11.485 1.00 0.00 O ATOM 77 OD2 ASP A 385 -5.834 -28.900 10.933 1.00 0.00 O ATOM 0 H ASP A 385 -10.275 -30.750 10.153 1.00 0.00 H new ATOM 0 HA ASP A 385 -9.655 -28.437 11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.058 -30.355 11.595 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -7.956 -30.027 9.876 1.00 0.00 H new ATOM 82 N GLU A 386 -9.909 -26.657 10.158 1.00 0.00 N ATOM 83 CA GLU A 386 -10.063 -25.574 9.193 1.00 0.00 C ATOM 84 C GLU A 386 -9.102 -24.430 9.503 1.00 0.00 C ATOM 85 O GLU A 386 -8.942 -24.036 10.658 1.00 0.00 O ATOM 86 CB GLU A 386 -11.504 -25.061 9.196 1.00 0.00 C ATOM 87 CG GLU A 386 -11.920 -24.420 10.509 1.00 0.00 C ATOM 88 CD GLU A 386 -13.388 -24.035 10.534 1.00 0.00 C ATOM 89 OE1 GLU A 386 -14.030 -24.073 9.462 1.00 0.00 O ATOM 90 OE2 GLU A 386 -13.894 -23.696 11.623 1.00 0.00 O ATOM 0 H GLU A 386 -10.018 -26.373 11.132 1.00 0.00 H new ATOM 0 HA GLU A 386 -9.827 -25.965 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -11.623 -24.334 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -12.176 -25.891 8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -11.716 -25.111 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -11.313 -23.532 10.683 1.00 0.00 H new ATOM 97 N PHE A 387 -8.465 -23.901 8.463 1.00 0.00 N ATOM 98 CA PHE A 387 -7.520 -22.801 8.622 1.00 0.00 C ATOM 99 C PHE A 387 -7.935 -21.601 7.778 1.00 0.00 C ATOM 100 O PHE A 387 -8.619 -21.748 6.765 1.00 0.00 O ATOM 101 CB PHE A 387 -6.111 -23.252 8.233 1.00 0.00 C ATOM 102 CG PHE A 387 -5.568 -24.348 9.104 1.00 0.00 C ATOM 103 CD1 PHE A 387 -5.013 -24.058 10.340 1.00 0.00 C ATOM 104 CD2 PHE A 387 -5.614 -25.669 8.687 1.00 0.00 C ATOM 105 CE1 PHE A 387 -4.513 -25.064 11.144 1.00 0.00 C ATOM 106 CE2 PHE A 387 -5.115 -26.679 9.487 1.00 0.00 C ATOM 107 CZ PHE A 387 -4.565 -26.377 10.717 1.00 0.00 C ATOM 0 H PHE A 387 -8.586 -24.216 7.501 1.00 0.00 H new ATOM 0 HA PHE A 387 -7.521 -22.502 9.670 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -6.121 -23.593 7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -5.439 -22.395 8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -4.971 -23.033 10.679 1.00 0.00 H new ATOM 0 HD2 PHE A 387 -6.044 -25.911 7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 387 -4.082 -24.824 12.105 1.00 0.00 H new ATOM 0 HE2 PHE A 387 -5.155 -27.704 9.150 1.00 0.00 H new ATOM 0 HZ PHE A 387 -4.176 -27.166 11.344 1.00 0.00 H new ATOM 117 N GLU A 388 -7.516 -20.413 8.201 1.00 0.00 N ATOM 118 CA GLU A 388 -7.843 -19.187 7.482 1.00 0.00 C ATOM 119 C GLU A 388 -6.619 -18.640 6.754 1.00 0.00 C ATOM 120 O GLU A 388 -5.509 -18.655 7.286 1.00 0.00 O ATOM 121 CB GLU A 388 -8.389 -18.135 8.450 1.00 0.00 C ATOM 122 CG GLU A 388 -7.374 -17.669 9.481 1.00 0.00 C ATOM 123 CD GLU A 388 -7.973 -16.726 10.506 1.00 0.00 C ATOM 124 OE1 GLU A 388 -9.044 -17.053 11.058 1.00 0.00 O ATOM 125 OE2 GLU A 388 -7.372 -15.661 10.755 1.00 0.00 O ATOM 0 H GLU A 388 -6.950 -20.273 9.038 1.00 0.00 H new ATOM 0 HA GLU A 388 -8.608 -19.422 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.736 -17.274 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -9.257 -18.545 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.956 -18.537 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.549 -17.170 8.973 1.00 0.00 H new ATOM 132 N GLU A 389 -6.831 -18.158 5.534 1.00 0.00 N ATOM 133 CA GLU A 389 -5.744 -17.604 4.732 1.00 0.00 C ATOM 134 C GLU A 389 -5.969 -16.120 4.461 1.00 0.00 C ATOM 135 O GLU A 389 -7.105 -15.646 4.451 1.00 0.00 O ATOM 136 CB GLU A 389 -5.622 -18.365 3.410 1.00 0.00 C ATOM 137 CG GLU A 389 -5.301 -19.840 3.583 1.00 0.00 C ATOM 138 CD GLU A 389 -6.529 -20.670 3.905 1.00 0.00 C ATOM 139 OE1 GLU A 389 -7.655 -20.172 3.692 1.00 0.00 O ATOM 140 OE2 GLU A 389 -6.365 -21.818 4.369 1.00 0.00 O ATOM 0 H GLU A 389 -7.744 -18.139 5.079 1.00 0.00 H new ATOM 0 HA GLU A 389 -4.817 -17.714 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -6.556 -18.268 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -4.844 -17.901 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -4.841 -20.218 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -4.568 -19.957 4.381 1.00 0.00 H new ATOM 147 N VAL A 390 -4.878 -15.394 4.240 1.00 0.00 N ATOM 148 CA VAL A 390 -4.957 -13.963 3.968 1.00 0.00 C ATOM 149 C VAL A 390 -4.118 -13.589 2.749 1.00 0.00 C ATOM 150 O VAL A 390 -3.031 -14.129 2.542 1.00 0.00 O ATOM 151 CB VAL A 390 -4.487 -13.134 5.181 1.00 0.00 C ATOM 152 CG1 VAL A 390 -3.030 -13.431 5.503 1.00 0.00 C ATOM 153 CG2 VAL A 390 -4.694 -11.649 4.927 1.00 0.00 C ATOM 0 H VAL A 390 -3.931 -15.772 4.244 1.00 0.00 H new ATOM 0 HA VAL A 390 -6.004 -13.734 3.767 1.00 0.00 H new ATOM 0 HB VAL A 390 -5.089 -13.418 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -2.719 -12.836 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -2.917 -14.490 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -2.409 -13.180 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -4.356 -11.081 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -4.122 -11.347 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -5.752 -11.453 4.755 1.00 0.00 H new ATOM 163 N ALA A 391 -4.632 -12.662 1.947 1.00 0.00 N ATOM 164 CA ALA A 391 -3.930 -12.216 0.749 1.00 0.00 C ATOM 165 C ALA A 391 -2.614 -11.535 1.106 1.00 0.00 C ATOM 166 O ALA A 391 -2.498 -10.894 2.150 1.00 0.00 O ATOM 167 CB ALA A 391 -4.812 -11.275 -0.058 1.00 0.00 C ATOM 0 H ALA A 391 -5.531 -12.206 2.105 1.00 0.00 H new ATOM 0 HA ALA A 391 -3.702 -13.093 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -4.276 -10.949 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -5.724 -11.794 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -5.068 -10.407 0.549 1.00 0.00 H new ATOM 173 N ASP A 392 -1.623 -11.679 0.231 1.00 0.00 N ATOM 174 CA ASP A 392 -0.314 -11.077 0.454 1.00 0.00 C ATOM 175 C ASP A 392 -0.326 -9.597 0.086 1.00 0.00 C ATOM 176 O ASP A 392 -0.866 -9.208 -0.950 1.00 0.00 O ATOM 177 CB ASP A 392 0.753 -11.809 -0.362 1.00 0.00 C ATOM 178 CG ASP A 392 0.951 -13.241 0.095 1.00 0.00 C ATOM 179 OD1 ASP A 392 0.512 -13.572 1.218 1.00 0.00 O ATOM 180 OD2 ASP A 392 1.545 -14.031 -0.668 1.00 0.00 O ATOM 0 H ASP A 392 -1.702 -12.207 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 392 -0.076 -11.167 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 392 0.469 -11.803 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 392 1.698 -11.272 -0.284 1.00 0.00 H new ATOM 185 N ASP A 393 0.273 -8.775 0.941 1.00 0.00 N ATOM 186 CA ASP A 393 0.332 -7.336 0.707 1.00 0.00 C ATOM 187 C ASP A 393 1.339 -7.004 -0.392 1.00 0.00 C ATOM 188 O ASP A 393 2.254 -7.781 -0.663 1.00 0.00 O ATOM 189 CB ASP A 393 0.706 -6.604 1.995 1.00 0.00 C ATOM 190 CG ASP A 393 -0.510 -6.202 2.807 1.00 0.00 C ATOM 191 OD1 ASP A 393 -1.027 -7.052 3.562 1.00 0.00 O ATOM 192 OD2 ASP A 393 -0.947 -5.038 2.686 1.00 0.00 O ATOM 0 H ASP A 393 0.725 -9.080 1.803 1.00 0.00 H new ATOM 0 HA ASP A 393 -0.655 -7.005 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 393 1.348 -7.244 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 393 1.285 -5.714 1.749 1.00 0.00 H new ATOM 197 N PRO A 394 1.181 -5.838 -1.043 1.00 0.00 N ATOM 198 CA PRO A 394 2.081 -5.404 -2.116 1.00 0.00 C ATOM 199 C PRO A 394 3.488 -5.106 -1.606 1.00 0.00 C ATOM 200 O PRO A 394 3.702 -4.945 -0.404 1.00 0.00 O ATOM 201 CB PRO A 394 1.423 -4.126 -2.644 1.00 0.00 C ATOM 202 CG PRO A 394 0.593 -3.628 -1.512 1.00 0.00 C ATOM 203 CD PRO A 394 0.116 -4.852 -0.781 1.00 0.00 C ATOM 0 HA PRO A 394 2.209 -6.176 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 394 2.170 -3.390 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 394 0.811 -4.330 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 394 1.176 -2.983 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -0.248 -3.037 -1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -0.004 -4.663 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -0.849 -5.193 -1.155 1.00 0.00 H new ATOM 211 N ILE A 395 4.443 -5.036 -2.527 1.00 0.00 N ATOM 212 CA ILE A 395 5.830 -4.758 -2.169 1.00 0.00 C ATOM 213 C ILE A 395 6.145 -3.273 -2.307 1.00 0.00 C ATOM 214 O ILE A 395 5.595 -2.585 -3.166 1.00 0.00 O ATOM 215 CB ILE A 395 6.810 -5.564 -3.044 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.449 -7.050 -3.017 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.242 -5.353 -2.574 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.601 -7.683 -1.651 1.00 0.00 C ATOM 0 H ILE A 395 4.283 -5.168 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 395 5.954 -5.058 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 395 6.731 -5.208 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.419 -7.172 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.081 -7.582 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 395 8.920 -5.930 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.495 -4.295 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.338 -5.683 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.328 -8.737 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.636 -7.593 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.948 -7.176 -0.940 1.00 0.00 H new ATOM 230 N VAL A 396 7.037 -2.786 -1.452 1.00 0.00 N ATOM 231 CA VAL A 396 7.435 -1.385 -1.470 1.00 0.00 C ATOM 232 C VAL A 396 8.954 -1.251 -1.487 1.00 0.00 C ATOM 233 O VAL A 396 9.660 -2.021 -0.834 1.00 0.00 O ATOM 234 CB VAL A 396 6.873 -0.627 -0.247 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.428 -1.207 1.045 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.175 0.862 -0.348 1.00 0.00 C ATOM 0 H VAL A 396 7.500 -3.344 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 396 7.024 -0.946 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 396 5.790 -0.751 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.020 -0.659 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.148 -2.258 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.515 -1.120 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 396 6.770 1.375 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.254 1.012 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 396 6.718 1.266 -1.251 1.00 0.00 H new ATOM 246 N MET A 397 9.454 -0.275 -2.234 1.00 0.00 N ATOM 247 CA MET A 397 10.891 -0.051 -2.325 1.00 0.00 C ATOM 248 C MET A 397 11.383 0.771 -1.138 1.00 0.00 C ATOM 249 O MET A 397 11.032 1.942 -0.993 1.00 0.00 O ATOM 250 CB MET A 397 11.236 0.660 -3.635 1.00 0.00 C ATOM 251 CG MET A 397 10.987 -0.187 -4.871 1.00 0.00 C ATOM 252 SD MET A 397 12.300 -1.386 -5.167 1.00 0.00 S ATOM 253 CE MET A 397 11.791 -2.720 -4.086 1.00 0.00 C ATOM 0 H MET A 397 8.888 0.372 -2.784 1.00 0.00 H new ATOM 0 HA MET A 397 11.390 -1.020 -2.307 1.00 0.00 H new ATOM 0 HB2 MET A 397 10.648 1.575 -3.708 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.285 0.956 -3.613 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.038 -0.712 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 397 10.892 0.464 -5.740 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.502 -2.815 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 397 10.801 -2.505 -3.684 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.760 -3.653 -4.649 1.00 0.00 H new ATOM 263 N VAL A 398 12.199 0.149 -0.293 1.00 0.00 N ATOM 264 CA VAL A 398 12.741 0.822 0.880 1.00 0.00 C ATOM 265 C VAL A 398 14.262 0.900 0.810 1.00 0.00 C ATOM 266 O VAL A 398 14.950 -0.119 0.880 1.00 0.00 O ATOM 267 CB VAL A 398 12.338 0.099 2.178 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.752 0.912 3.395 1.00 0.00 C ATOM 269 CG2 VAL A 398 10.842 -0.173 2.192 1.00 0.00 C ATOM 0 H VAL A 398 12.499 -0.820 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 398 12.325 1.829 0.889 1.00 0.00 H new ATOM 0 HB VAL A 398 12.859 -0.857 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.458 0.384 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 398 13.833 1.050 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.262 1.885 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.574 -0.685 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.300 0.771 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.578 -0.800 1.341 1.00 0.00 H new ATOM 279 N ALA A 399 14.783 2.115 0.668 1.00 0.00 N ATOM 280 CA ALA A 399 16.224 2.325 0.586 1.00 0.00 C ATOM 281 C ALA A 399 16.842 1.494 -0.535 1.00 0.00 C ATOM 282 O ALA A 399 18.035 1.190 -0.510 1.00 0.00 O ATOM 283 CB ALA A 399 16.881 1.989 1.917 1.00 0.00 C ATOM 0 H ALA A 399 14.228 2.969 0.607 1.00 0.00 H new ATOM 0 HA ALA A 399 16.399 3.377 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 399 17.957 2.150 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.471 2.630 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.686 0.946 2.166 1.00 0.00 H new ATOM 289 N GLY A 400 16.025 1.129 -1.520 1.00 0.00 N ATOM 290 CA GLY A 400 16.514 0.340 -2.635 1.00 0.00 C ATOM 291 C GLY A 400 16.180 -1.136 -2.503 1.00 0.00 C ATOM 292 O GLY A 400 16.267 -1.885 -3.477 1.00 0.00 O ATOM 0 H GLY A 400 15.034 1.366 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.086 0.723 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.595 0.458 -2.711 1.00 0.00 H new ATOM 296 N ARG A 401 15.800 -1.558 -1.300 1.00 0.00 N ATOM 297 CA ARG A 401 15.458 -2.955 -1.056 1.00 0.00 C ATOM 298 C ARG A 401 13.944 -3.142 -0.968 1.00 0.00 C ATOM 299 O ARG A 401 13.229 -2.265 -0.484 1.00 0.00 O ATOM 300 CB ARG A 401 16.120 -3.446 0.233 1.00 0.00 C ATOM 301 CG ARG A 401 17.514 -4.011 0.024 1.00 0.00 C ATOM 302 CD ARG A 401 17.875 -5.018 1.104 1.00 0.00 C ATOM 303 NE ARG A 401 18.680 -4.417 2.166 1.00 0.00 N ATOM 304 CZ ARG A 401 19.975 -4.137 2.047 1.00 0.00 C ATOM 305 NH1 ARG A 401 20.617 -4.401 0.914 1.00 0.00 N ATOM 306 NH2 ARG A 401 20.631 -3.592 3.061 1.00 0.00 N ATOM 0 H ARG A 401 15.721 -0.954 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 401 15.829 -3.544 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.175 -2.619 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.491 -4.212 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.571 -4.489 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.241 -3.199 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 401 16.963 -5.434 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 401 18.424 -5.847 0.658 1.00 0.00 H new ATOM 0 HE ARG A 401 18.221 -4.199 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 401 20.117 -4.820 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 401 21.610 -4.184 0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 401 20.143 -3.387 3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 401 21.624 -3.377 2.970 1.00 0.00 H new ATOM 320 N PRO A 402 13.434 -4.295 -1.439 1.00 0.00 N ATOM 321 CA PRO A 402 11.999 -4.594 -1.412 1.00 0.00 C ATOM 322 C PRO A 402 11.507 -4.964 -0.016 1.00 0.00 C ATOM 323 O PRO A 402 12.150 -5.735 0.696 1.00 0.00 O ATOM 324 CB PRO A 402 11.876 -5.789 -2.355 1.00 0.00 C ATOM 325 CG PRO A 402 13.193 -6.478 -2.260 1.00 0.00 C ATOM 326 CD PRO A 402 14.216 -5.397 -2.034 1.00 0.00 C ATOM 0 HA PRO A 402 11.396 -3.734 -1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.061 -6.448 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.669 -5.469 -3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.198 -7.197 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.409 -7.034 -3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.010 -5.731 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.691 -5.093 -2.967 1.00 0.00 H new ATOM 334 N PHE A 403 10.360 -4.412 0.366 1.00 0.00 N ATOM 335 CA PHE A 403 9.776 -4.685 1.674 1.00 0.00 C ATOM 336 C PHE A 403 8.254 -4.663 1.601 1.00 0.00 C ATOM 337 O PHE A 403 7.675 -4.048 0.707 1.00 0.00 O ATOM 338 CB PHE A 403 10.263 -3.660 2.699 1.00 0.00 C ATOM 339 CG PHE A 403 11.674 -3.894 3.158 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.741 -3.331 2.478 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.933 -4.676 4.273 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.040 -3.545 2.900 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.229 -4.894 4.699 1.00 0.00 C ATOM 344 CZ PHE A 403 14.284 -4.326 4.011 1.00 0.00 C ATOM 0 H PHE A 403 9.816 -3.772 -0.213 1.00 0.00 H new ATOM 0 HA PHE A 403 10.095 -5.679 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.191 -2.662 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.600 -3.680 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.556 -2.718 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 403 11.111 -5.120 4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.863 -3.101 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.417 -5.507 5.568 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.298 -4.493 4.342 1.00 0.00 H new ATOM 354 N SER A 404 7.608 -5.337 2.547 1.00 0.00 N ATOM 355 CA SER A 404 6.151 -5.387 2.583 1.00 0.00 C ATOM 356 C SER A 404 5.575 -4.022 2.943 1.00 0.00 C ATOM 357 O SER A 404 6.086 -3.336 3.829 1.00 0.00 O ATOM 358 CB SER A 404 5.680 -6.436 3.591 1.00 0.00 C ATOM 359 OG SER A 404 6.165 -7.724 3.252 1.00 0.00 O ATOM 0 H SER A 404 8.068 -5.854 3.296 1.00 0.00 H new ATOM 0 HA SER A 404 5.794 -5.664 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 404 6.024 -6.166 4.589 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.591 -6.451 3.623 1.00 0.00 H new ATOM 0 HG SER A 404 5.851 -8.376 3.913 1.00 0.00 H new ATOM 365 N TYR A 405 4.511 -3.631 2.250 1.00 0.00 N ATOM 366 CA TYR A 405 3.869 -2.345 2.499 1.00 0.00 C ATOM 367 C TYR A 405 3.408 -2.237 3.949 1.00 0.00 C ATOM 368 O TYR A 405 3.587 -1.202 4.592 1.00 0.00 O ATOM 369 CB TYR A 405 2.679 -2.153 1.557 1.00 0.00 C ATOM 370 CG TYR A 405 2.073 -0.770 1.622 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.727 0.321 1.063 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.849 -0.554 2.241 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.178 1.588 1.120 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.293 0.710 2.302 1.00 0.00 C ATOM 375 CZ TYR A 405 0.962 1.778 1.741 1.00 0.00 C ATOM 376 OH TYR A 405 0.412 3.037 1.799 1.00 0.00 O ATOM 0 H TYR A 405 4.075 -4.185 1.513 1.00 0.00 H new ATOM 0 HA TYR A 405 4.602 -1.560 2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.000 -2.352 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 405 1.912 -2.888 1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.680 0.177 0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.323 -1.387 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.699 2.425 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.660 0.861 2.786 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.447 2.997 2.269 1.00 0.00 H new ATOM 386 N SER A 406 2.816 -3.312 4.458 1.00 0.00 N ATOM 387 CA SER A 406 2.331 -3.338 5.832 1.00 0.00 C ATOM 388 C SER A 406 3.490 -3.223 6.819 1.00 0.00 C ATOM 389 O SER A 406 3.368 -2.577 7.860 1.00 0.00 O ATOM 390 CB SER A 406 1.549 -4.626 6.095 1.00 0.00 C ATOM 391 OG SER A 406 0.935 -4.599 7.371 1.00 0.00 O ATOM 0 H SER A 406 2.661 -4.176 3.939 1.00 0.00 H new ATOM 0 HA SER A 406 1.669 -2.484 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.789 -4.757 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.220 -5.482 6.029 1.00 0.00 H new ATOM 0 HG SER A 406 0.441 -5.433 7.514 1.00 0.00 H new ATOM 397 N GLU A 407 4.610 -3.855 6.486 1.00 0.00 N ATOM 398 CA GLU A 407 5.789 -3.824 7.343 1.00 0.00 C ATOM 399 C GLU A 407 6.327 -2.405 7.487 1.00 0.00 C ATOM 400 O GLU A 407 6.917 -2.052 8.508 1.00 0.00 O ATOM 401 CB GLU A 407 6.878 -4.741 6.785 1.00 0.00 C ATOM 402 CG GLU A 407 8.090 -4.872 7.693 1.00 0.00 C ATOM 403 CD GLU A 407 9.196 -5.708 7.078 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.032 -6.156 5.923 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.227 -5.915 7.752 1.00 0.00 O ATOM 0 H GLU A 407 4.726 -4.395 5.629 1.00 0.00 H new ATOM 0 HA GLU A 407 5.494 -4.180 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.455 -5.731 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.200 -4.360 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.476 -3.879 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.784 -5.321 8.638 1.00 0.00 H new ATOM 412 N VAL A 408 6.116 -1.598 6.457 1.00 0.00 N ATOM 413 CA VAL A 408 6.576 -0.215 6.462 1.00 0.00 C ATOM 414 C VAL A 408 5.775 0.624 7.453 1.00 0.00 C ATOM 415 O VAL A 408 6.343 1.376 8.245 1.00 0.00 O ATOM 416 CB VAL A 408 6.469 0.418 5.060 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.003 1.844 5.070 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.208 -0.428 4.031 1.00 0.00 C ATOM 0 H VAL A 408 5.629 -1.877 5.606 1.00 0.00 H new ATOM 0 HA VAL A 408 7.623 -0.228 6.765 1.00 0.00 H new ATOM 0 HB VAL A 408 5.416 0.452 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 408 6.918 2.271 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.424 2.444 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.050 1.838 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.121 0.036 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.260 -0.499 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.773 -1.427 4.001 1.00 0.00 H new ATOM 428 N SER A 409 4.454 0.491 7.402 1.00 0.00 N ATOM 429 CA SER A 409 3.576 1.237 8.296 1.00 0.00 C ATOM 430 C SER A 409 3.798 0.828 9.747 1.00 0.00 C ATOM 431 O SER A 409 3.602 1.623 10.666 1.00 0.00 O ATOM 432 CB SER A 409 2.113 1.021 7.909 1.00 0.00 C ATOM 433 OG SER A 409 1.711 -0.315 8.159 1.00 0.00 O ATOM 0 H SER A 409 3.968 -0.126 6.751 1.00 0.00 H new ATOM 0 HA SER A 409 3.816 2.296 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.480 1.706 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.975 1.254 6.853 1.00 0.00 H new ATOM 0 HG SER A 409 2.461 -0.921 7.983 1.00 0.00 H new ATOM 439 N GLN A 410 4.209 -0.417 9.942 1.00 0.00 N ATOM 440 CA GLN A 410 4.462 -0.940 11.279 1.00 0.00 C ATOM 441 C GLN A 410 5.791 -0.426 11.824 1.00 0.00 C ATOM 442 O GLN A 410 5.982 -0.330 13.037 1.00 0.00 O ATOM 443 CB GLN A 410 4.459 -2.470 11.263 1.00 0.00 C ATOM 444 CG GLN A 410 3.091 -3.073 10.990 1.00 0.00 C ATOM 445 CD GLN A 410 3.099 -4.587 11.046 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.089 -5.181 12.124 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.120 -5.222 9.879 1.00 0.00 N ATOM 0 H GLN A 410 4.375 -1.086 9.190 1.00 0.00 H new ATOM 0 HA GLN A 410 3.664 -0.591 11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.159 -2.818 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.823 -2.836 12.223 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.377 -2.690 11.719 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.746 -2.751 10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.128 -4.690 9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.128 -6.242 9.853 1.00 0.00 H new ATOM 456 N ARG A 411 6.704 -0.099 10.919 1.00 0.00 N ATOM 457 CA ARG A 411 8.016 0.405 11.302 1.00 0.00 C ATOM 458 C ARG A 411 8.291 1.758 10.650 1.00 0.00 C ATOM 459 O ARG A 411 8.910 1.830 9.588 1.00 0.00 O ATOM 460 CB ARG A 411 9.103 -0.596 10.904 1.00 0.00 C ATOM 461 CG ARG A 411 9.146 -1.830 11.790 1.00 0.00 C ATOM 462 CD ARG A 411 9.525 -3.071 10.997 1.00 0.00 C ATOM 463 NE ARG A 411 8.783 -4.251 11.438 1.00 0.00 N ATOM 464 CZ ARG A 411 8.967 -4.844 12.614 1.00 0.00 C ATOM 465 NH1 ARG A 411 9.865 -4.374 13.470 1.00 0.00 N ATOM 466 NH2 ARG A 411 8.250 -5.913 12.936 1.00 0.00 N ATOM 0 H ARG A 411 6.559 -0.174 9.912 1.00 0.00 H new ATOM 0 HA ARG A 411 8.028 0.535 12.384 1.00 0.00 H new ATOM 0 HB2 ARG A 411 8.940 -0.905 9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.073 -0.100 10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.865 -1.677 12.594 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.172 -1.978 12.257 1.00 0.00 H new ATOM 0 HD2 ARG A 411 9.333 -2.897 9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 411 10.594 -3.255 11.101 1.00 0.00 H new ATOM 0 HE ARG A 411 8.084 -4.642 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 411 10.419 -3.553 13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 411 10.001 -4.834 14.370 1.00 0.00 H new ATOM 0 HH21 ARG A 411 7.558 -6.279 12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 411 8.390 -6.369 13.838 1.00 0.00 H new ATOM 480 N PRO A 412 7.830 2.852 11.279 1.00 0.00 N ATOM 481 CA PRO A 412 8.027 4.207 10.754 1.00 0.00 C ATOM 482 C PRO A 412 9.487 4.492 10.418 1.00 0.00 C ATOM 483 O PRO A 412 9.786 5.319 9.556 1.00 0.00 O ATOM 484 CB PRO A 412 7.558 5.105 11.901 1.00 0.00 C ATOM 485 CG PRO A 412 6.587 4.271 12.661 1.00 0.00 C ATOM 486 CD PRO A 412 7.080 2.855 12.550 1.00 0.00 C ATOM 0 HA PRO A 412 7.484 4.365 9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.393 5.413 12.530 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.090 6.015 11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.535 4.585 13.703 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.583 4.368 12.248 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.716 2.584 13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.255 2.143 12.531 1.00 0.00 H new ATOM 494 N GLU A 413 10.394 3.802 11.103 1.00 0.00 N ATOM 495 CA GLU A 413 11.823 3.983 10.874 1.00 0.00 C ATOM 496 C GLU A 413 12.200 3.607 9.447 1.00 0.00 C ATOM 497 O GLU A 413 13.160 4.135 8.887 1.00 0.00 O ATOM 498 CB GLU A 413 12.631 3.145 11.867 1.00 0.00 C ATOM 499 CG GLU A 413 14.131 3.380 11.783 1.00 0.00 C ATOM 500 CD GLU A 413 14.919 2.471 12.706 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.297 1.626 13.383 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.160 2.602 12.750 1.00 0.00 O ATOM 0 H GLU A 413 10.165 3.114 11.820 1.00 0.00 H new ATOM 0 HA GLU A 413 12.057 5.037 11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.293 3.369 12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.427 2.089 11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.462 3.224 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.346 4.419 12.032 1.00 0.00 H new ATOM 509 N LEU A 414 11.438 2.692 8.866 1.00 0.00 N ATOM 510 CA LEU A 414 11.686 2.241 7.502 1.00 0.00 C ATOM 511 C LEU A 414 11.447 3.370 6.507 1.00 0.00 C ATOM 512 O LEU A 414 12.158 3.494 5.509 1.00 0.00 O ATOM 513 CB LEU A 414 10.789 1.048 7.164 1.00 0.00 C ATOM 514 CG LEU A 414 10.969 -0.174 8.066 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.101 -1.325 7.583 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.432 -0.589 8.115 1.00 0.00 C ATOM 0 H LEU A 414 10.640 2.245 9.318 1.00 0.00 H new ATOM 0 HA LEU A 414 12.729 1.932 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.749 1.369 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 414 10.979 0.751 6.133 1.00 0.00 H new ATOM 0 HG LEU A 414 10.654 0.092 9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.242 -2.186 8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.054 -1.023 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.384 -1.592 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.542 -1.460 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.774 -0.837 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.030 0.233 8.509 1.00 0.00 H new ATOM 528 N VAL A 415 10.441 4.193 6.784 1.00 0.00 N ATOM 529 CA VAL A 415 10.109 5.314 5.913 1.00 0.00 C ATOM 530 C VAL A 415 11.250 6.325 5.866 1.00 0.00 C ATOM 531 O VAL A 415 11.551 6.888 4.813 1.00 0.00 O ATOM 532 CB VAL A 415 8.823 6.026 6.377 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.425 7.112 5.389 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.694 5.021 6.558 1.00 0.00 C ATOM 0 H VAL A 415 9.842 4.105 7.605 1.00 0.00 H new ATOM 0 HA VAL A 415 9.946 4.905 4.916 1.00 0.00 H new ATOM 0 HB VAL A 415 9.019 6.498 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.515 7.603 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.227 7.846 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.248 6.666 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.794 5.540 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.499 4.519 5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 415 7.980 4.283 7.307 1.00 0.00 H new ATOM 544 N ALA A 416 11.884 6.550 7.013 1.00 0.00 N ATOM 545 CA ALA A 416 12.994 7.491 7.101 1.00 0.00 C ATOM 546 C ALA A 416 14.198 6.994 6.313 1.00 0.00 C ATOM 547 O ALA A 416 14.997 7.785 5.812 1.00 0.00 O ATOM 548 CB ALA A 416 13.371 7.730 8.555 1.00 0.00 C ATOM 0 H ALA A 416 11.648 6.093 7.894 1.00 0.00 H new ATOM 0 HA ALA A 416 12.672 8.436 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.201 8.435 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.515 8.140 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.668 6.787 9.014 1.00 0.00 H new ATOM 554 N GLN A 417 14.317 5.678 6.205 1.00 0.00 N ATOM 555 CA GLN A 417 15.420 5.064 5.475 1.00 0.00 C ATOM 556 C GLN A 417 15.202 5.160 3.968 1.00 0.00 C ATOM 557 O GLN A 417 16.150 5.082 3.187 1.00 0.00 O ATOM 558 CB GLN A 417 15.581 3.600 5.888 1.00 0.00 C ATOM 559 CG GLN A 417 15.975 3.418 7.345 1.00 0.00 C ATOM 560 CD GLN A 417 16.226 1.965 7.703 1.00 0.00 C ATOM 561 OE1 GLN A 417 15.250 1.339 8.350 1.00 0.00 O flip ATOM 562 NE2 GLN A 417 17.285 1.414 7.403 1.00 0.00 N flip ATOM 0 H GLN A 417 13.662 5.012 6.615 1.00 0.00 H new ATOM 0 HA GLN A 417 16.332 5.607 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.644 3.075 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.336 3.134 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 417 16.874 4.000 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.186 3.815 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 417 18.008 1.934 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.440 0.437 7.652 1.00 0.00 H new ATOM 571 N MET A 418 13.947 5.329 3.568 1.00 0.00 N ATOM 572 CA MET A 418 13.601 5.435 2.155 1.00 0.00 C ATOM 573 C MET A 418 14.042 6.780 1.585 1.00 0.00 C ATOM 574 O MET A 418 13.747 7.831 2.152 1.00 0.00 O ATOM 575 CB MET A 418 12.093 5.267 1.965 1.00 0.00 C ATOM 576 CG MET A 418 11.570 3.912 2.410 1.00 0.00 C ATOM 577 SD MET A 418 10.175 3.350 1.416 1.00 0.00 S ATOM 578 CE MET A 418 9.056 2.783 2.693 1.00 0.00 C ATOM 0 H MET A 418 13.151 5.396 4.203 1.00 0.00 H new ATOM 0 HA MET A 418 14.123 4.642 1.620 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.576 6.048 2.523 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.850 5.413 0.913 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.374 3.178 2.350 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.268 3.968 3.456 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.394 2.020 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.630 2.362 3.519 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.462 3.622 3.055 1.00 0.00 H new ATOM 588 N THR A 419 14.739 6.740 0.455 1.00 0.00 N ATOM 589 CA THR A 419 15.208 7.960 -0.193 1.00 0.00 C ATOM 590 C THR A 419 14.019 8.782 -0.686 1.00 0.00 C ATOM 591 O THR A 419 12.882 8.317 -0.649 1.00 0.00 O ATOM 592 CB THR A 419 16.139 7.623 -1.363 1.00 0.00 C ATOM 593 OG1 THR A 419 15.392 7.295 -2.521 1.00 0.00 O ATOM 594 CG2 THR A 419 17.072 6.466 -1.077 1.00 0.00 C ATOM 0 H THR A 419 14.991 5.879 -0.030 1.00 0.00 H new ATOM 0 HA THR A 419 15.767 8.548 0.535 1.00 0.00 H new ATOM 0 HB THR A 419 16.738 8.520 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 419 16.004 7.085 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.702 6.283 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.700 6.708 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.487 5.573 -0.858 1.00 0.00 H new ATOM 602 N PRO A 420 14.259 10.020 -1.152 1.00 0.00 N ATOM 603 CA PRO A 420 13.187 10.891 -1.644 1.00 0.00 C ATOM 604 C PRO A 420 12.340 10.212 -2.712 1.00 0.00 C ATOM 605 O PRO A 420 11.123 10.096 -2.569 1.00 0.00 O ATOM 606 CB PRO A 420 13.937 12.091 -2.227 1.00 0.00 C ATOM 607 CG PRO A 420 15.241 12.108 -1.507 1.00 0.00 C ATOM 608 CD PRO A 420 15.581 10.669 -1.234 1.00 0.00 C ATOM 0 HA PRO A 420 12.485 11.161 -0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 420 14.080 11.984 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.385 13.018 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 420 16.014 12.584 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 420 15.167 12.675 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 420 16.191 10.241 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 420 16.143 10.557 -0.307 1.00 0.00 H new ATOM 616 N GLU A 421 12.988 9.749 -3.776 1.00 0.00 N ATOM 617 CA GLU A 421 12.280 9.068 -4.852 1.00 0.00 C ATOM 618 C GLU A 421 11.601 7.817 -4.313 1.00 0.00 C ATOM 619 O GLU A 421 10.484 7.481 -4.708 1.00 0.00 O ATOM 620 CB GLU A 421 13.246 8.700 -5.980 1.00 0.00 C ATOM 621 CG GLU A 421 13.859 9.905 -6.673 1.00 0.00 C ATOM 622 CD GLU A 421 14.762 9.518 -7.829 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.098 8.320 -7.945 1.00 0.00 O ATOM 624 OE2 GLU A 421 15.135 10.413 -8.616 1.00 0.00 O ATOM 0 H GLU A 421 13.995 9.832 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 421 11.522 9.740 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 421 14.045 8.079 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.717 8.097 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 421 13.062 10.552 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.431 10.484 -5.948 1.00 0.00 H new ATOM 631 N GLU A 422 12.281 7.139 -3.394 1.00 0.00 N ATOM 632 CA GLU A 422 11.744 5.933 -2.782 1.00 0.00 C ATOM 633 C GLU A 422 10.532 6.272 -1.924 1.00 0.00 C ATOM 634 O GLU A 422 9.590 5.486 -1.824 1.00 0.00 O ATOM 635 CB GLU A 422 12.812 5.243 -1.934 1.00 0.00 C ATOM 636 CG GLU A 422 13.940 4.635 -2.752 1.00 0.00 C ATOM 637 CD GLU A 422 13.448 3.616 -3.760 1.00 0.00 C ATOM 638 OE1 GLU A 422 12.279 3.189 -3.652 1.00 0.00 O ATOM 639 OE2 GLU A 422 14.230 3.244 -4.660 1.00 0.00 O ATOM 0 H GLU A 422 13.206 7.406 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 422 11.435 5.251 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.231 5.966 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.342 4.459 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.473 5.429 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.655 4.160 -2.080 1.00 0.00 H new ATOM 646 N LYS A 423 10.557 7.454 -1.314 1.00 0.00 N ATOM 647 CA LYS A 423 9.453 7.899 -0.474 1.00 0.00 C ATOM 648 C LYS A 423 8.200 8.105 -1.317 1.00 0.00 C ATOM 649 O LYS A 423 7.083 7.862 -0.861 1.00 0.00 O ATOM 650 CB LYS A 423 9.822 9.197 0.248 1.00 0.00 C ATOM 651 CG LYS A 423 9.477 9.187 1.729 1.00 0.00 C ATOM 652 CD LYS A 423 8.158 9.892 2.001 1.00 0.00 C ATOM 653 CE LYS A 423 8.235 10.758 3.248 1.00 0.00 C ATOM 654 NZ LYS A 423 8.921 12.053 2.984 1.00 0.00 N ATOM 0 H LYS A 423 11.328 8.118 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 423 9.252 7.130 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.891 9.376 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.306 10.029 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 423 9.420 8.158 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.273 9.674 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 423 7.891 10.510 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 423 7.366 9.152 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.228 10.950 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.767 10.219 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 8.953 12.614 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.890 11.871 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.400 12.580 2.254 1.00 0.00 H new ATOM 668 N GLU A 424 8.399 8.548 -2.554 1.00 0.00 N ATOM 669 CA GLU A 424 7.290 8.781 -3.470 1.00 0.00 C ATOM 670 C GLU A 424 6.577 7.474 -3.794 1.00 0.00 C ATOM 671 O GLU A 424 5.350 7.405 -3.767 1.00 0.00 O ATOM 672 CB GLU A 424 7.796 9.439 -4.757 1.00 0.00 C ATOM 673 CG GLU A 424 7.898 10.953 -4.665 1.00 0.00 C ATOM 674 CD GLU A 424 8.337 11.587 -5.971 1.00 0.00 C ATOM 675 OE1 GLU A 424 9.523 11.442 -6.332 1.00 0.00 O ATOM 676 OE2 GLU A 424 7.493 12.229 -6.632 1.00 0.00 O ATOM 0 H GLU A 424 9.319 8.753 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 424 6.579 9.451 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.776 9.031 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 424 7.127 9.177 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.930 11.362 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.606 11.219 -3.880 1.00 0.00 H new ATOM 683 N ALA A 425 7.353 6.434 -4.089 1.00 0.00 N ATOM 684 CA ALA A 425 6.786 5.128 -4.406 1.00 0.00 C ATOM 685 C ALA A 425 5.905 4.635 -3.268 1.00 0.00 C ATOM 686 O ALA A 425 4.921 3.928 -3.485 1.00 0.00 O ATOM 687 CB ALA A 425 7.893 4.125 -4.699 1.00 0.00 C ATOM 0 H ALA A 425 8.372 6.471 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 425 6.167 5.229 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.453 3.156 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.482 4.471 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.538 4.029 -3.825 1.00 0.00 H new ATOM 693 N TYR A 426 6.263 5.033 -2.056 1.00 0.00 N ATOM 694 CA TYR A 426 5.508 4.658 -0.868 1.00 0.00 C ATOM 695 C TYR A 426 4.151 5.341 -0.875 1.00 0.00 C ATOM 696 O TYR A 426 3.117 4.713 -0.647 1.00 0.00 O ATOM 697 CB TYR A 426 6.270 5.075 0.388 1.00 0.00 C ATOM 698 CG TYR A 426 5.593 4.666 1.675 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.441 3.327 2.013 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.103 5.624 2.555 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.822 2.954 3.190 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.483 5.259 3.734 1.00 0.00 C ATOM 703 CZ TYR A 426 4.345 3.924 4.047 1.00 0.00 C ATOM 704 OH TYR A 426 3.727 3.557 5.220 1.00 0.00 O ATOM 0 H TYR A 426 7.076 5.619 -1.868 1.00 0.00 H new ATOM 0 HA TYR A 426 5.371 3.577 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.268 4.638 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.396 6.158 0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.813 2.565 1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.209 6.671 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.712 1.909 3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.108 6.016 4.407 1.00 0.00 H new ATOM 0 HH TYR A 426 3.451 4.360 5.709 1.00 0.00 H new ATOM 714 N ILE A 427 4.180 6.640 -1.129 1.00 0.00 N ATOM 715 CA ILE A 427 2.975 7.448 -1.164 1.00 0.00 C ATOM 716 C ILE A 427 2.151 7.172 -2.418 1.00 0.00 C ATOM 717 O ILE A 427 0.921 7.199 -2.380 1.00 0.00 O ATOM 718 CB ILE A 427 3.334 8.946 -1.101 1.00 0.00 C ATOM 719 CG1 ILE A 427 4.080 9.254 0.199 1.00 0.00 C ATOM 720 CG2 ILE A 427 2.083 9.797 -1.218 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.435 9.889 -0.016 1.00 0.00 C ATOM 0 H ILE A 427 5.037 7.161 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 427 2.374 7.179 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 427 3.987 9.186 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.469 9.919 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.207 8.330 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.355 10.852 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.590 9.591 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.404 9.561 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.905 10.079 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 427 6.063 9.216 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 427 5.315 10.830 -0.552 1.00 0.00 H new ATOM 733 N ALA A 428 2.832 6.912 -3.528 1.00 0.00 N ATOM 734 CA ALA A 428 2.153 6.638 -4.786 1.00 0.00 C ATOM 735 C ALA A 428 1.355 5.341 -4.710 1.00 0.00 C ATOM 736 O ALA A 428 0.181 5.302 -5.076 1.00 0.00 O ATOM 737 CB ALA A 428 3.158 6.578 -5.926 1.00 0.00 C ATOM 0 H ALA A 428 3.850 6.885 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 428 1.453 7.451 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.636 6.372 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.678 7.533 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.881 5.786 -5.732 1.00 0.00 H new ATOM 743 N MET A 429 2.000 4.282 -4.231 1.00 0.00 N ATOM 744 CA MET A 429 1.347 2.984 -4.106 1.00 0.00 C ATOM 745 C MET A 429 0.169 3.060 -3.141 1.00 0.00 C ATOM 746 O MET A 429 -0.861 2.418 -3.351 1.00 0.00 O ATOM 747 CB MET A 429 2.347 1.929 -3.628 1.00 0.00 C ATOM 748 CG MET A 429 3.379 1.549 -4.676 1.00 0.00 C ATOM 749 SD MET A 429 4.386 0.137 -4.181 1.00 0.00 S ATOM 750 CE MET A 429 5.154 0.772 -2.693 1.00 0.00 C ATOM 0 H MET A 429 2.972 4.297 -3.924 1.00 0.00 H new ATOM 0 HA MET A 429 0.971 2.698 -5.088 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.861 2.303 -2.743 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.802 1.035 -3.326 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.872 1.318 -5.613 1.00 0.00 H new ATOM 0 HG3 MET A 429 4.028 2.404 -4.868 1.00 0.00 H new ATOM 0 HE1 MET A 429 6.230 0.853 -2.845 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.745 1.756 -2.464 1.00 0.00 H new ATOM 0 HE3 MET A 429 4.955 0.094 -1.863 1.00 0.00 H new ATOM 760 N GLY A 430 0.328 3.849 -2.083 1.00 0.00 N ATOM 761 CA GLY A 430 -0.731 3.995 -1.101 1.00 0.00 C ATOM 762 C GLY A 430 -2.012 4.532 -1.707 1.00 0.00 C ATOM 763 O GLY A 430 -3.108 4.143 -1.304 1.00 0.00 O ATOM 0 H GLY A 430 1.171 4.390 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -0.929 3.028 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -0.398 4.666 -0.309 1.00 0.00 H new ATOM 767 N GLN A 431 -1.874 5.430 -2.677 1.00 0.00 N ATOM 768 CA GLN A 431 -3.030 6.023 -3.340 1.00 0.00 C ATOM 769 C GLN A 431 -3.879 4.950 -4.013 1.00 0.00 C ATOM 770 O GLN A 431 -5.109 5.002 -3.973 1.00 0.00 O ATOM 771 CB GLN A 431 -2.576 7.055 -4.374 1.00 0.00 C ATOM 772 CG GLN A 431 -1.907 8.275 -3.763 1.00 0.00 C ATOM 773 CD GLN A 431 -1.416 9.256 -4.809 1.00 0.00 C ATOM 774 OE1 GLN A 431 -1.293 8.917 -5.986 1.00 0.00 O ATOM 775 NE2 GLN A 431 -1.133 10.482 -4.383 1.00 0.00 N ATOM 0 H GLN A 431 -0.973 5.763 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 431 -3.638 6.520 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -1.883 6.580 -5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -3.439 7.378 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -2.612 8.778 -3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -1.066 7.954 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -1.250 10.719 -3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -0.799 11.186 -5.041 1.00 0.00 H new ATOM 784 N ARG A 432 -3.217 3.978 -4.631 1.00 0.00 N ATOM 785 CA ARG A 432 -3.910 2.891 -5.311 1.00 0.00 C ATOM 786 C ARG A 432 -4.665 2.019 -4.313 1.00 0.00 C ATOM 787 O ARG A 432 -5.716 1.462 -4.629 1.00 0.00 O ATOM 788 CB ARG A 432 -2.916 2.039 -6.102 1.00 0.00 C ATOM 789 CG ARG A 432 -2.224 2.796 -7.224 1.00 0.00 C ATOM 790 CD ARG A 432 -1.329 1.880 -8.044 1.00 0.00 C ATOM 791 NE ARG A 432 -0.510 2.625 -8.997 1.00 0.00 N ATOM 792 CZ ARG A 432 0.085 2.074 -10.052 1.00 0.00 C ATOM 793 NH1 ARG A 432 -0.046 0.777 -10.295 1.00 0.00 N ATOM 794 NH2 ARG A 432 0.813 2.825 -10.869 1.00 0.00 N ATOM 0 H ARG A 432 -2.200 3.921 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 432 -4.631 3.329 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -2.161 1.648 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -3.440 1.181 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -2.972 3.252 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -1.629 3.607 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -0.682 1.312 -7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -1.944 1.158 -8.581 1.00 0.00 H new ATOM 0 HE ARG A 432 -0.387 3.626 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -0.606 0.195 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 432 0.413 0.361 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 432 0.916 3.823 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 432 1.270 2.404 -11.678 1.00 0.00 H new ATOM 808 N MET A 433 -4.120 1.904 -3.106 1.00 0.00 N ATOM 809 CA MET A 433 -4.738 1.100 -2.059 1.00 0.00 C ATOM 810 C MET A 433 -6.150 1.588 -1.752 1.00 0.00 C ATOM 811 O MET A 433 -6.985 0.833 -1.255 1.00 0.00 O ATOM 812 CB MET A 433 -3.886 1.133 -0.789 1.00 0.00 C ATOM 813 CG MET A 433 -2.506 0.523 -0.967 1.00 0.00 C ATOM 814 SD MET A 433 -2.570 -1.176 -1.569 1.00 0.00 S ATOM 815 CE MET A 433 -3.458 -1.974 -0.235 1.00 0.00 C ATOM 0 H MET A 433 -3.250 2.359 -2.829 1.00 0.00 H new ATOM 0 HA MET A 433 -4.801 0.073 -2.419 1.00 0.00 H new ATOM 0 HB2 MET A 433 -3.778 2.167 -0.461 1.00 0.00 H new ATOM 0 HB3 MET A 433 -4.410 0.600 0.004 1.00 0.00 H new ATOM 0 HG2 MET A 433 -1.932 1.131 -1.666 1.00 0.00 H new ATOM 0 HG3 MET A 433 -1.977 0.547 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 433 -3.335 -3.054 -0.311 1.00 0.00 H new ATOM 0 HE2 MET A 433 -3.064 -1.630 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 433 -4.517 -1.724 -0.302 1.00 0.00 H new ATOM 825 N PHE A 434 -6.409 2.856 -2.048 1.00 0.00 N ATOM 826 CA PHE A 434 -7.719 3.448 -1.803 1.00 0.00 C ATOM 827 C PHE A 434 -8.597 3.382 -3.051 1.00 0.00 C ATOM 828 O PHE A 434 -9.564 4.134 -3.179 1.00 0.00 O ATOM 829 CB PHE A 434 -7.567 4.901 -1.350 1.00 0.00 C ATOM 830 CG PHE A 434 -8.857 5.533 -0.911 1.00 0.00 C ATOM 831 CD1 PHE A 434 -9.423 5.207 0.310 1.00 0.00 C ATOM 832 CD2 PHE A 434 -9.504 6.452 -1.722 1.00 0.00 C ATOM 833 CE1 PHE A 434 -10.610 5.786 0.718 1.00 0.00 C ATOM 834 CE2 PHE A 434 -10.692 7.035 -1.321 1.00 0.00 C ATOM 835 CZ PHE A 434 -11.245 6.701 -0.099 1.00 0.00 C ATOM 0 H PHE A 434 -5.728 3.495 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 434 -8.204 2.874 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -6.853 4.943 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -7.146 5.485 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -8.931 4.491 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -9.076 6.716 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -11.040 5.524 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -11.187 7.750 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 434 -12.173 7.155 0.217 1.00 0.00 H new ATOM 845 N GLU A 435 -8.260 2.480 -3.969 1.00 0.00 N ATOM 846 CA GLU A 435 -9.023 2.323 -5.202 1.00 0.00 C ATOM 847 C GLU A 435 -10.284 1.498 -4.964 1.00 0.00 C ATOM 848 O GLU A 435 -11.255 1.600 -5.714 1.00 0.00 O ATOM 849 CB GLU A 435 -8.162 1.661 -6.279 1.00 0.00 C ATOM 850 CG GLU A 435 -8.841 1.582 -7.637 1.00 0.00 C ATOM 851 CD GLU A 435 -8.011 0.838 -8.665 1.00 0.00 C ATOM 852 OE1 GLU A 435 -6.918 0.349 -8.308 1.00 0.00 O ATOM 853 OE2 GLU A 435 -8.454 0.743 -9.830 1.00 0.00 O ATOM 0 H GLU A 435 -7.464 1.848 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 435 -9.320 3.315 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -7.230 2.217 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -7.899 0.654 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -9.806 1.087 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -9.040 2.591 -7.998 1.00 0.00 H new ATOM 860 N ASP A 436 -10.262 0.683 -3.917 1.00 0.00 N ATOM 861 CA ASP A 436 -11.403 -0.160 -3.577 1.00 0.00 C ATOM 862 C ASP A 436 -11.566 -0.266 -2.064 1.00 0.00 C ATOM 863 O ASP A 436 -11.161 -1.255 -1.454 1.00 0.00 O ATOM 864 CB ASP A 436 -11.231 -1.555 -4.182 1.00 0.00 C ATOM 865 CG ASP A 436 -11.273 -1.537 -5.697 1.00 0.00 C ATOM 866 OD1 ASP A 436 -12.011 -0.702 -6.262 1.00 0.00 O ATOM 867 OD2 ASP A 436 -10.566 -2.358 -6.320 1.00 0.00 O ATOM 0 H ASP A 436 -9.465 0.587 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 436 -12.301 0.299 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -10.281 -1.976 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -12.017 -2.210 -3.807 1.00 0.00 H new ATOM 872 N LEU A 437 -12.164 0.759 -1.466 1.00 0.00 N ATOM 873 CA LEU A 437 -12.381 0.783 -0.025 1.00 0.00 C ATOM 874 C LEU A 437 -13.662 1.537 0.318 1.00 0.00 C ATOM 875 O LEU A 437 -13.624 2.716 0.669 1.00 0.00 O ATOM 876 CB LEU A 437 -11.188 1.430 0.681 1.00 0.00 C ATOM 877 CG LEU A 437 -10.977 0.989 2.131 1.00 0.00 C ATOM 878 CD1 LEU A 437 -12.250 1.178 2.940 1.00 0.00 C ATOM 879 CD2 LEU A 437 -10.521 -0.462 2.183 1.00 0.00 C ATOM 0 H LEU A 437 -12.507 1.584 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 437 -12.483 -0.246 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 437 -10.284 1.206 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 437 -11.317 2.512 0.661 1.00 0.00 H new ATOM 0 HG LEU A 437 -10.198 1.612 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 437 -12.079 0.859 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 437 -12.535 2.230 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 437 -13.051 0.581 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 437 -10.375 -0.761 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 437 -11.279 -1.098 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 437 -9.582 -0.568 1.640 1.00 0.00 H new ATOM 891 N PHE A 438 -14.793 0.848 0.215 1.00 0.00 N ATOM 892 CA PHE A 438 -16.087 1.452 0.514 1.00 0.00 C ATOM 893 C PHE A 438 -16.835 0.642 1.567 1.00 0.00 C ATOM 894 O PHE A 438 -16.522 -0.526 1.805 1.00 0.00 O ATOM 895 CB PHE A 438 -16.930 1.559 -0.758 1.00 0.00 C ATOM 896 CG PHE A 438 -17.264 0.228 -1.371 1.00 0.00 C ATOM 897 CD1 PHE A 438 -16.382 -0.386 -2.247 1.00 0.00 C ATOM 898 CD2 PHE A 438 -18.457 -0.409 -1.070 1.00 0.00 C ATOM 899 CE1 PHE A 438 -16.686 -1.611 -2.812 1.00 0.00 C ATOM 900 CE2 PHE A 438 -18.766 -1.633 -1.632 1.00 0.00 C ATOM 901 CZ PHE A 438 -17.880 -2.235 -2.504 1.00 0.00 C ATOM 0 H PHE A 438 -14.840 -0.129 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 438 -15.910 2.452 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 438 -17.856 2.086 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 438 -16.393 2.163 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 438 -15.448 0.098 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 438 -19.153 0.056 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 438 -15.991 -2.080 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 438 -19.700 -2.119 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 438 -18.120 -3.192 -2.944 1.00 0.00 H new ATOM 911 N GLU A 439 -17.822 1.268 2.197 1.00 0.00 N ATOM 912 CA GLU A 439 -18.615 0.605 3.227 1.00 0.00 C ATOM 913 C GLU A 439 -19.681 -0.288 2.602 1.00 0.00 C ATOM 914 O GLU A 439 -19.927 -1.385 3.145 1.00 0.00 O ATOM 915 CB GLU A 439 -19.272 1.642 4.140 1.00 0.00 C ATOM 916 CG GLU A 439 -18.276 2.494 4.910 1.00 0.00 C ATOM 917 CD GLU A 439 -17.712 3.629 4.078 1.00 0.00 C ATOM 918 OE1 GLU A 439 -18.312 3.952 3.031 1.00 0.00 O ATOM 919 OE2 GLU A 439 -16.671 4.193 4.472 1.00 0.00 O ATOM 920 OXT GLU A 439 -20.263 0.118 1.573 1.00 0.00 O ATOM 0 H GLU A 439 -18.093 2.234 2.013 1.00 0.00 H new ATOM 0 HA GLU A 439 -17.947 -0.019 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 439 -19.906 2.294 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 439 -19.923 1.130 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 439 -18.763 2.904 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 439 -17.458 1.864 5.259 1.00 0.00 H new TER 927 GLU A 439