USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 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 430 THR OG1 : rot -46:sc= 0.0719 USER MOD Set 1.2: A 437 SER OG : rot 130:sc= -4! USER MOD Set 2.1: A 427 THR OG1 : rot 107:sc= 1.08 USER MOD Set 2.2: A 428 THR OG1 : rot -75:sc= 0.0492 USER MOD Set 3.1: A 396 ASN : amide:sc= 0.667 K(o=1.2,f=0.68) USER MOD Set 3.2: A 420 TYR OH : rot 180:sc= 0.56 USER MOD Single : A 388 LYS NZ :NH3+ -169:sc= -0.0433 (180deg=-0.209) USER MOD Single : A 390 TYR OH : rot 15:sc= -1.97! USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -2.39! K(o=-2.4!,f=0.35) USER MOD Single : A 400 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.1) USER MOD Single : A 401 ASN : amide:sc= -1.64! K(o=-1.6!,f=-2.3) USER MOD Single : A 402 HIS : no HD1:sc= -0.646 K(o=-0.65,f=-1.6!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -4.47! C(o=-4.5!,f=-3.2!) USER MOD Single : A 410 LYS NZ :NH3+ -171:sc= -0.0353 (180deg=-0.16) USER MOD Single : A 411 SER OG : rot 180:sc= -2.4! USER MOD Single : A 417 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.24) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc=-0.00453 X(o=-0.0045,f=-0.0045) USER MOD Single : A 432 MET CE :methyl -140:sc= -0.193 (180deg=-0.965) USER MOD Single : A 434 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.1) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.423 0.251 -2.211 1.00 0.00 N ATOM 21 CA ARG A 387 15.099 0.256 -2.790 1.00 0.00 C ATOM 22 C ARG A 387 14.119 0.995 -1.908 1.00 0.00 C ATOM 23 O ARG A 387 13.589 0.438 -0.953 1.00 0.00 O ATOM 24 CB ARG A 387 14.592 -1.165 -3.031 1.00 0.00 C ATOM 25 CG ARG A 387 15.132 -1.809 -4.292 1.00 0.00 C ATOM 26 CD ARG A 387 16.615 -2.115 -4.187 1.00 0.00 C ATOM 27 NE ARG A 387 17.107 -2.784 -5.384 1.00 0.00 N ATOM 28 CZ ARG A 387 17.977 -3.788 -5.373 1.00 0.00 C ATOM 29 NH1 ARG A 387 18.483 -4.216 -4.224 1.00 0.00 N ATOM 30 NH2 ARG A 387 18.339 -4.370 -6.509 1.00 0.00 N ATOM 0 HA ARG A 387 15.173 0.771 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.860 -1.785 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.503 -1.147 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 387 14.585 -2.731 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.958 -1.146 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 387 17.169 -1.189 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 387 16.797 -2.744 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 387 16.762 -2.461 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 387 18.204 -3.774 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 387 19.151 -4.987 -4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.949 -4.047 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 387 19.007 -5.141 -6.497 1.00 0.00 H new ATOM 44 N LYS A 388 13.925 2.264 -2.191 1.00 0.00 N ATOM 45 CA LYS A 388 12.785 2.963 -1.629 1.00 0.00 C ATOM 46 C LYS A 388 11.550 2.637 -2.438 1.00 0.00 C ATOM 47 O LYS A 388 11.592 2.517 -3.661 1.00 0.00 O ATOM 48 CB LYS A 388 12.962 4.478 -1.588 1.00 0.00 C ATOM 49 CG LYS A 388 13.501 5.018 -0.271 1.00 0.00 C ATOM 50 CD LYS A 388 14.978 4.721 -0.075 1.00 0.00 C ATOM 51 CE LYS A 388 15.459 5.188 1.291 1.00 0.00 C ATOM 52 NZ LYS A 388 15.174 6.630 1.532 1.00 0.00 N ATOM 0 H LYS A 388 14.526 2.826 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 388 12.687 2.623 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.638 4.773 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.000 4.949 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 388 13.343 6.096 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 388 12.935 4.584 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.153 3.650 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.557 5.215 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 388 14.978 4.591 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.532 5.014 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 15.679 6.946 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 15.493 7.188 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 14.151 6.764 1.665 1.00 0.00 H new ATOM 66 N CYS A 389 10.463 2.514 -1.738 1.00 0.00 N ATOM 67 CA CYS A 389 9.190 2.180 -2.338 1.00 0.00 C ATOM 68 C CYS A 389 8.207 3.311 -2.114 1.00 0.00 C ATOM 69 O CYS A 389 7.668 3.480 -1.019 1.00 0.00 O ATOM 70 CB CYS A 389 8.658 0.862 -1.769 1.00 0.00 C ATOM 71 SG CYS A 389 9.603 -0.604 -2.301 1.00 0.00 S ATOM 0 H CYS A 389 10.426 2.642 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 389 9.323 2.046 -3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.671 0.916 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.617 0.741 -2.070 1.00 0.00 H new ATOM 76 N TYR A 390 8.018 4.109 -3.151 1.00 0.00 N ATOM 77 CA TYR A 390 7.154 5.271 -3.085 1.00 0.00 C ATOM 78 C TYR A 390 5.695 4.841 -2.952 1.00 0.00 C ATOM 79 O TYR A 390 5.213 4.015 -3.728 1.00 0.00 O ATOM 80 CB TYR A 390 7.351 6.124 -4.339 1.00 0.00 C ATOM 81 CG TYR A 390 6.637 7.453 -4.310 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.145 8.520 -3.579 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.462 7.645 -5.026 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.500 9.743 -3.566 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.815 8.864 -5.022 1.00 0.00 C ATOM 86 CZ TYR A 390 5.336 9.909 -4.290 1.00 0.00 C ATOM 87 OH TYR A 390 4.700 11.131 -4.288 1.00 0.00 O ATOM 0 H TYR A 390 8.459 3.968 -4.060 1.00 0.00 H new ATOM 0 HA TYR A 390 7.414 5.863 -2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.417 6.302 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.006 5.559 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.056 8.392 -3.013 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.048 6.826 -5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.904 10.564 -2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.906 8.998 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 390 5.308 11.815 -3.938 1.00 0.00 H new ATOM 97 N PHE A 391 5.008 5.377 -1.952 1.00 0.00 N ATOM 98 CA PHE A 391 3.597 5.071 -1.753 1.00 0.00 C ATOM 99 C PHE A 391 2.754 5.803 -2.795 1.00 0.00 C ATOM 100 O PHE A 391 2.746 7.037 -2.845 1.00 0.00 O ATOM 101 CB PHE A 391 3.156 5.470 -0.341 1.00 0.00 C ATOM 102 CG PHE A 391 1.819 4.911 0.061 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.729 3.655 0.637 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.655 5.641 -0.130 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.505 3.137 1.012 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.572 5.127 0.242 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.646 3.874 0.815 1.00 0.00 C ATOM 0 H PHE A 391 5.402 6.023 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 391 3.452 3.997 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.909 5.134 0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.118 6.557 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.626 3.074 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.709 6.624 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.448 2.156 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.471 5.704 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.603 3.470 1.109 1.00 0.00 H new ATOM 117 N PRO A 392 2.033 5.047 -3.633 1.00 0.00 N ATOM 118 CA PRO A 392 1.255 5.602 -4.738 1.00 0.00 C ATOM 119 C PRO A 392 -0.120 6.092 -4.309 1.00 0.00 C ATOM 120 O PRO A 392 -0.474 6.069 -3.128 1.00 0.00 O ATOM 121 CB PRO A 392 1.129 4.409 -5.681 1.00 0.00 C ATOM 122 CG PRO A 392 1.098 3.220 -4.784 1.00 0.00 C ATOM 123 CD PRO A 392 1.909 3.579 -3.562 1.00 0.00 C ATOM 0 HA PRO A 392 1.729 6.480 -5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.223 4.474 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.969 4.361 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.074 2.969 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.517 2.347 -5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.410 3.265 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.886 3.095 -3.575 1.00 0.00 H new ATOM 131 N TYR A 393 -0.887 6.543 -5.284 1.00 0.00 N ATOM 132 CA TYR A 393 -2.207 7.077 -5.038 1.00 0.00 C ATOM 133 C TYR A 393 -3.276 6.027 -5.302 1.00 0.00 C ATOM 134 O TYR A 393 -3.358 5.462 -6.391 1.00 0.00 O ATOM 135 CB TYR A 393 -2.439 8.305 -5.915 1.00 0.00 C ATOM 136 CG TYR A 393 -3.867 8.801 -5.904 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.392 9.433 -4.788 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.690 8.624 -7.009 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.700 9.876 -4.771 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.999 9.064 -7.000 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.499 9.690 -5.880 1.00 0.00 C ATOM 142 OH TYR A 393 -7.803 10.131 -5.868 1.00 0.00 O ATOM 0 H TYR A 393 -0.610 6.548 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.274 7.368 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.783 9.108 -5.580 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.155 8.067 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.769 9.581 -3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.300 8.135 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.095 10.366 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.627 8.918 -7.866 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.227 9.923 -6.727 1.00 0.00 H new ATOM 152 N LEU A 394 -4.078 5.768 -4.285 1.00 0.00 N ATOM 153 CA LEU A 394 -5.200 4.849 -4.395 1.00 0.00 C ATOM 154 C LEU A 394 -6.492 5.644 -4.518 1.00 0.00 C ATOM 155 O LEU A 394 -6.845 6.392 -3.603 1.00 0.00 O ATOM 156 CB LEU A 394 -5.280 3.920 -3.173 1.00 0.00 C ATOM 157 CG LEU A 394 -4.151 2.890 -3.027 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.836 3.551 -2.645 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.530 1.841 -1.997 1.00 0.00 C ATOM 0 H LEU A 394 -3.972 6.187 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.055 4.232 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.299 4.537 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.229 3.385 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.012 2.409 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.061 2.791 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.551 4.266 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.953 4.070 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.722 1.116 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.701 2.322 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.439 1.331 -2.315 1.00 0.00 H new ATOM 171 N GLU A 395 -7.164 5.485 -5.656 1.00 0.00 N ATOM 172 CA GLU A 395 -8.363 6.254 -6.006 1.00 0.00 C ATOM 173 C GLU A 395 -9.301 6.469 -4.820 1.00 0.00 C ATOM 174 O GLU A 395 -9.464 7.595 -4.345 1.00 0.00 O ATOM 175 CB GLU A 395 -9.132 5.565 -7.142 1.00 0.00 C ATOM 176 CG GLU A 395 -8.355 5.445 -8.448 1.00 0.00 C ATOM 177 CD GLU A 395 -7.340 4.319 -8.441 1.00 0.00 C ATOM 178 OE1 GLU A 395 -6.191 4.546 -8.009 1.00 0.00 O ATOM 179 OE2 GLU A 395 -7.687 3.202 -8.877 1.00 0.00 O ATOM 0 H GLU A 395 -6.891 4.811 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.013 7.234 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.423 4.567 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -10.051 6.120 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.057 5.287 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.842 6.386 -8.645 1.00 0.00 H new ATOM 186 N ASN A 396 -9.901 5.393 -4.332 1.00 0.00 N ATOM 187 CA ASN A 396 -10.889 5.493 -3.264 1.00 0.00 C ATOM 188 C ASN A 396 -10.364 4.892 -1.967 1.00 0.00 C ATOM 189 O ASN A 396 -11.045 4.100 -1.315 1.00 0.00 O ATOM 190 CB ASN A 396 -12.198 4.809 -3.677 1.00 0.00 C ATOM 191 CG ASN A 396 -12.911 5.538 -4.801 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.793 6.757 -4.941 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.662 4.802 -5.607 1.00 0.00 N ATOM 0 H ASN A 396 -9.723 4.443 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.085 6.551 -3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.986 3.787 -3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.859 4.747 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -14.168 5.242 -6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.734 3.795 -5.459 1.00 0.00 H new ATOM 200 N GLY A 397 -9.156 5.282 -1.586 1.00 0.00 N ATOM 201 CA GLY A 397 -8.568 4.773 -0.364 1.00 0.00 C ATOM 202 C GLY A 397 -8.202 5.878 0.604 1.00 0.00 C ATOM 203 O GLY A 397 -8.618 7.023 0.431 1.00 0.00 O ATOM 0 H GLY A 397 -8.573 5.942 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.269 4.090 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.676 4.196 -0.606 1.00 0.00 H new ATOM 207 N TYR A 398 -7.445 5.531 1.634 1.00 0.00 N ATOM 208 CA TYR A 398 -6.926 6.518 2.570 1.00 0.00 C ATOM 209 C TYR A 398 -5.430 6.676 2.356 1.00 0.00 C ATOM 210 O TYR A 398 -4.624 5.945 2.939 1.00 0.00 O ATOM 211 CB TYR A 398 -7.209 6.109 4.017 1.00 0.00 C ATOM 212 CG TYR A 398 -8.664 6.213 4.410 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.226 7.439 4.743 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.472 5.086 4.455 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.556 7.538 5.108 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.801 5.177 4.819 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.338 6.405 5.145 1.00 0.00 C ATOM 218 OH TYR A 398 -12.662 6.498 5.503 1.00 0.00 O ATOM 0 H TYR A 398 -7.175 4.570 1.844 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.427 7.469 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.875 5.082 4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.617 6.736 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.614 8.329 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.055 4.123 4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -10.979 8.498 5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.417 4.291 4.848 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.071 5.608 5.477 1.00 0.00 H new ATOM 228 N ASN A 399 -5.056 7.629 1.518 1.00 0.00 N ATOM 229 CA ASN A 399 -3.662 7.790 1.133 1.00 0.00 C ATOM 230 C ASN A 399 -2.926 8.679 2.120 1.00 0.00 C ATOM 231 O ASN A 399 -2.363 9.710 1.748 1.00 0.00 O ATOM 232 CB ASN A 399 -3.542 8.379 -0.272 1.00 0.00 C ATOM 233 CG ASN A 399 -4.723 8.053 -1.154 1.00 0.00 C ATOM 234 OD1 ASN A 399 -5.627 8.867 -1.330 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.744 6.849 -1.687 1.00 0.00 N ATOM 0 H ASN A 399 -5.695 8.301 1.092 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.207 6.799 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.439 9.462 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.632 8.004 -0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.531 6.563 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -3.974 6.202 -1.517 1.00 0.00 H new ATOM 242 N GLN A 400 -2.915 8.258 3.374 1.00 0.00 N ATOM 243 CA GLN A 400 -2.240 8.995 4.433 1.00 0.00 C ATOM 244 C GLN A 400 -0.733 9.048 4.192 1.00 0.00 C ATOM 245 O GLN A 400 -0.030 9.884 4.758 1.00 0.00 O ATOM 246 CB GLN A 400 -2.541 8.347 5.779 1.00 0.00 C ATOM 247 CG GLN A 400 -2.093 6.908 5.856 1.00 0.00 C ATOM 248 CD GLN A 400 -2.661 6.175 7.054 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.769 6.466 7.506 1.00 0.00 O ATOM 250 NE2 GLN A 400 -1.905 5.227 7.588 1.00 0.00 N ATOM 0 H GLN A 400 -3.371 7.401 3.687 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.612 10.019 4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.050 8.917 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.613 8.398 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -2.393 6.391 4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -1.004 6.874 5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -0.992 5.015 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -2.236 4.709 8.402 1.00 0.00 H new ATOM 259 N ASN A 401 -0.243 8.159 3.337 1.00 0.00 N ATOM 260 CA ASN A 401 1.180 8.085 3.053 1.00 0.00 C ATOM 261 C ASN A 401 1.485 8.479 1.614 1.00 0.00 C ATOM 262 O ASN A 401 2.582 8.231 1.122 1.00 0.00 O ATOM 263 CB ASN A 401 1.713 6.675 3.323 1.00 0.00 C ATOM 264 CG ASN A 401 1.682 6.304 4.791 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.815 7.156 5.665 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.509 5.024 5.074 1.00 0.00 N ATOM 0 H ASN A 401 -0.811 7.481 2.830 1.00 0.00 H new ATOM 0 HA ASN A 401 1.679 8.792 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.121 5.954 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.737 6.603 2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 401 1.482 4.716 6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.402 4.345 4.320 1.00 0.00 H new ATOM 273 N HIS A 402 0.519 9.089 0.937 1.00 0.00 N ATOM 274 CA HIS A 402 0.720 9.506 -0.450 1.00 0.00 C ATOM 275 C HIS A 402 1.800 10.577 -0.530 1.00 0.00 C ATOM 276 O HIS A 402 1.615 11.697 -0.058 1.00 0.00 O ATOM 277 CB HIS A 402 -0.580 10.032 -1.066 1.00 0.00 C ATOM 278 CG HIS A 402 -0.454 10.408 -2.513 1.00 0.00 C ATOM 279 ND1 HIS A 402 -1.041 11.529 -3.054 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.189 9.796 -3.537 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.768 11.591 -4.342 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.023 10.552 -4.663 1.00 0.00 N ATOM 0 H HIS A 402 -0.402 9.305 1.318 1.00 0.00 H new ATOM 0 HA HIS A 402 1.038 8.631 -1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.354 9.271 -0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.913 10.903 -0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.762 8.883 -3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -1.099 12.363 -5.020 1.00 0.00 H new ATOM 0 HE2 HIS A 402 0.337 10.344 -5.595 1.00 0.00 H new ATOM 291 N GLY A 403 2.925 10.220 -1.122 1.00 0.00 N ATOM 292 CA GLY A 403 4.035 11.144 -1.225 1.00 0.00 C ATOM 293 C GLY A 403 5.193 10.702 -0.363 1.00 0.00 C ATOM 294 O GLY A 403 6.283 11.274 -0.411 1.00 0.00 O ATOM 0 H GLY A 403 3.092 9.303 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.357 11.215 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.712 12.140 -0.922 1.00 0.00 H new ATOM 298 N ARG A 404 4.942 9.671 0.426 1.00 0.00 N ATOM 299 CA ARG A 404 5.947 9.093 1.296 1.00 0.00 C ATOM 300 C ARG A 404 6.434 7.784 0.709 1.00 0.00 C ATOM 301 O ARG A 404 5.634 6.938 0.323 1.00 0.00 O ATOM 302 CB ARG A 404 5.357 8.832 2.679 1.00 0.00 C ATOM 303 CG ARG A 404 4.723 10.055 3.315 1.00 0.00 C ATOM 304 CD ARG A 404 3.999 9.694 4.603 1.00 0.00 C ATOM 305 NE ARG A 404 3.279 10.832 5.180 1.00 0.00 N ATOM 306 CZ ARG A 404 3.241 11.105 6.485 1.00 0.00 C ATOM 307 NH1 ARG A 404 3.933 10.367 7.342 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.506 12.120 6.930 1.00 0.00 N ATOM 0 H ARG A 404 4.033 9.212 0.480 1.00 0.00 H new ATOM 0 HA ARG A 404 6.779 9.791 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.607 8.045 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.144 8.459 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.492 10.799 3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.021 10.509 2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.295 8.885 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.721 9.319 5.329 1.00 0.00 H new ATOM 0 HE ARG A 404 2.777 11.453 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.497 9.587 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.901 10.579 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.972 12.689 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.476 12.329 7.928 1.00 0.00 H new ATOM 322 N LYS A 405 7.737 7.623 0.615 1.00 0.00 N ATOM 323 CA LYS A 405 8.304 6.382 0.141 1.00 0.00 C ATOM 324 C LYS A 405 9.106 5.701 1.242 1.00 0.00 C ATOM 325 O LYS A 405 9.972 6.307 1.877 1.00 0.00 O ATOM 326 CB LYS A 405 9.155 6.631 -1.095 1.00 0.00 C ATOM 327 CG LYS A 405 10.084 7.803 -0.961 1.00 0.00 C ATOM 328 CD LYS A 405 10.985 7.954 -2.174 1.00 0.00 C ATOM 329 CE LYS A 405 11.848 9.204 -2.082 1.00 0.00 C ATOM 330 NZ LYS A 405 12.656 9.405 -3.312 1.00 0.00 N ATOM 0 H LYS A 405 8.422 8.337 0.861 1.00 0.00 H new ATOM 0 HA LYS A 405 7.493 5.709 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 405 9.741 5.737 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 405 8.499 6.794 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.501 8.714 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 405 10.696 7.681 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.625 7.076 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.376 7.998 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.212 10.074 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.511 9.126 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.231 10.266 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.281 8.586 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.023 9.504 -4.131 1.00 0.00 H new ATOM 344 N PHE A 406 8.802 4.437 1.457 1.00 0.00 N ATOM 345 CA PHE A 406 9.384 3.672 2.550 1.00 0.00 C ATOM 346 C PHE A 406 10.547 2.833 2.049 1.00 0.00 C ATOM 347 O PHE A 406 10.533 2.350 0.922 1.00 0.00 O ATOM 348 CB PHE A 406 8.321 2.775 3.192 1.00 0.00 C ATOM 349 CG PHE A 406 7.218 3.540 3.871 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.170 4.075 3.137 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.233 3.728 5.242 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.159 4.779 3.761 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.226 4.433 5.871 1.00 0.00 C ATOM 354 CZ PHE A 406 5.187 4.959 5.128 1.00 0.00 C ATOM 0 H PHE A 406 8.146 3.908 0.882 1.00 0.00 H new ATOM 0 HA PHE A 406 9.757 4.368 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 406 7.888 2.133 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.801 2.122 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.144 3.940 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.043 3.318 5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.347 5.188 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.251 4.573 6.942 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.398 5.510 5.617 1.00 0.00 H new ATOM 364 N VAL A 407 11.554 2.670 2.890 1.00 0.00 N ATOM 365 CA VAL A 407 12.756 1.945 2.508 1.00 0.00 C ATOM 366 C VAL A 407 12.524 0.434 2.553 1.00 0.00 C ATOM 367 O VAL A 407 11.709 -0.061 3.337 1.00 0.00 O ATOM 368 CB VAL A 407 13.955 2.328 3.412 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.698 1.933 4.855 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.247 1.703 2.908 1.00 0.00 C ATOM 0 H VAL A 407 11.564 3.030 3.844 1.00 0.00 H new ATOM 0 HA VAL A 407 12.995 2.229 1.483 1.00 0.00 H new ATOM 0 HB VAL A 407 14.066 3.412 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.555 2.213 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.808 2.446 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.546 0.855 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.070 1.990 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.149 0.617 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.450 2.053 1.896 1.00 0.00 H new ATOM 380 N GLN A 408 13.223 -0.263 1.665 1.00 0.00 N ATOM 381 CA GLN A 408 13.216 -1.713 1.575 1.00 0.00 C ATOM 382 C GLN A 408 13.260 -2.372 2.948 1.00 0.00 C ATOM 383 O GLN A 408 14.164 -2.116 3.748 1.00 0.00 O ATOM 384 CB GLN A 408 14.429 -2.126 0.751 1.00 0.00 C ATOM 385 CG GLN A 408 14.410 -3.559 0.281 1.00 0.00 C ATOM 386 CD GLN A 408 15.468 -3.814 -0.772 1.00 0.00 C ATOM 387 OE1 GLN A 408 16.543 -3.211 -0.762 1.00 0.00 O ATOM 388 NE2 GLN A 408 15.146 -4.670 -1.713 1.00 0.00 N ATOM 0 H GLN A 408 13.825 0.179 0.971 1.00 0.00 H new ATOM 0 HA GLN A 408 12.290 -2.042 1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.500 -1.473 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.328 -1.964 1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.573 -4.223 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.427 -3.796 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.245 -5.147 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.797 -4.858 -2.476 1.00 0.00 H new ATOM 397 N GLY A 409 12.278 -3.219 3.209 1.00 0.00 N ATOM 398 CA GLY A 409 12.198 -3.891 4.488 1.00 0.00 C ATOM 399 C GLY A 409 11.055 -3.386 5.348 1.00 0.00 C ATOM 400 O GLY A 409 10.649 -4.055 6.301 1.00 0.00 O ATOM 0 H GLY A 409 11.532 -3.454 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.077 -4.962 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.137 -3.755 5.024 1.00 0.00 H new ATOM 404 N LYS A 410 10.536 -2.205 5.027 1.00 0.00 N ATOM 405 CA LYS A 410 9.449 -1.625 5.792 1.00 0.00 C ATOM 406 C LYS A 410 8.098 -2.055 5.248 1.00 0.00 C ATOM 407 O LYS A 410 7.975 -2.456 4.086 1.00 0.00 O ATOM 408 CB LYS A 410 9.547 -0.103 5.789 1.00 0.00 C ATOM 409 CG LYS A 410 10.684 0.441 6.634 1.00 0.00 C ATOM 410 CD LYS A 410 10.467 1.907 6.963 1.00 0.00 C ATOM 411 CE LYS A 410 11.639 2.497 7.735 1.00 0.00 C ATOM 412 NZ LYS A 410 11.957 1.730 8.968 1.00 0.00 N ATOM 0 H LYS A 410 10.853 -1.635 4.243 1.00 0.00 H new ATOM 0 HA LYS A 410 9.537 -1.988 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.673 0.241 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.607 0.313 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.763 -0.134 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.627 0.320 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.321 2.468 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.555 2.016 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.518 2.522 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.410 3.529 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.656 2.254 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.090 1.596 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.348 0.802 8.708 1.00 0.00 H new ATOM 426 N SER A 411 7.092 -1.950 6.097 1.00 0.00 N ATOM 427 CA SER A 411 5.743 -2.360 5.764 1.00 0.00 C ATOM 428 C SER A 411 4.751 -1.281 6.178 1.00 0.00 C ATOM 429 O SER A 411 5.116 -0.327 6.870 1.00 0.00 O ATOM 430 CB SER A 411 5.408 -3.668 6.480 1.00 0.00 C ATOM 431 OG SER A 411 4.091 -4.098 6.187 1.00 0.00 O ATOM 0 H SER A 411 7.190 -1.576 7.041 1.00 0.00 H new ATOM 0 HA SER A 411 5.676 -2.511 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.118 -4.439 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.517 -3.533 7.556 1.00 0.00 H new ATOM 0 HG SER A 411 3.908 -4.937 6.659 1.00 0.00 H new ATOM 437 N ILE A 412 3.505 -1.439 5.762 1.00 0.00 N ATOM 438 CA ILE A 412 2.443 -0.529 6.169 1.00 0.00 C ATOM 439 C ILE A 412 1.069 -1.076 5.792 1.00 0.00 C ATOM 440 O ILE A 412 0.870 -1.597 4.694 1.00 0.00 O ATOM 441 CB ILE A 412 2.623 0.884 5.564 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.505 1.816 6.039 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.669 0.833 4.042 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.538 2.100 7.526 1.00 0.00 C ATOM 0 H ILE A 412 3.202 -2.190 5.142 1.00 0.00 H new ATOM 0 HA ILE A 412 2.508 -0.446 7.254 1.00 0.00 H new ATOM 0 HB ILE A 412 3.577 1.279 5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.575 2.759 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.542 1.373 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.796 1.841 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.506 0.211 3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.738 0.410 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.716 2.767 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.436 1.165 8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.485 2.573 7.785 1.00 0.00 H new ATOM 456 N ASP A 413 0.139 -0.989 6.733 1.00 0.00 N ATOM 457 CA ASP A 413 -1.251 -1.350 6.482 1.00 0.00 C ATOM 458 C ASP A 413 -1.929 -0.248 5.686 1.00 0.00 C ATOM 459 O ASP A 413 -2.099 0.869 6.177 1.00 0.00 O ATOM 460 CB ASP A 413 -2.030 -1.559 7.786 1.00 0.00 C ATOM 461 CG ASP A 413 -1.452 -2.637 8.675 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.512 -2.335 9.448 1.00 0.00 O ATOM 463 OD2 ASP A 413 -1.950 -3.785 8.629 1.00 0.00 O ATOM 0 H ASP A 413 0.323 -0.669 7.684 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.250 -2.286 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.054 -0.620 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -3.062 -1.814 7.545 1.00 0.00 H new ATOM 468 N VAL A 414 -2.322 -0.560 4.469 1.00 0.00 N ATOM 469 CA VAL A 414 -3.001 0.408 3.625 1.00 0.00 C ATOM 470 C VAL A 414 -4.491 0.412 3.906 1.00 0.00 C ATOM 471 O VAL A 414 -5.149 -0.627 3.868 1.00 0.00 O ATOM 472 CB VAL A 414 -2.756 0.139 2.128 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.594 1.067 1.262 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.284 0.309 1.806 1.00 0.00 C ATOM 0 H VAL A 414 -2.184 -1.475 4.040 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.585 1.387 3.865 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.054 -0.887 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.402 0.856 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.651 0.909 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.331 2.102 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.119 0.117 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.975 1.327 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.699 -0.395 2.398 1.00 0.00 H new ATOM 484 N ALA A 415 -5.013 1.587 4.200 1.00 0.00 N ATOM 485 CA ALA A 415 -6.418 1.731 4.500 1.00 0.00 C ATOM 486 C ALA A 415 -7.182 2.169 3.260 1.00 0.00 C ATOM 487 O ALA A 415 -6.703 3.001 2.489 1.00 0.00 O ATOM 488 CB ALA A 415 -6.620 2.730 5.629 1.00 0.00 C ATOM 0 H ALA A 415 -4.481 2.456 4.237 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.805 0.764 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.684 2.827 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.101 2.380 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.220 3.700 5.333 1.00 0.00 H new ATOM 494 N CYS A 416 -8.360 1.610 3.063 1.00 0.00 N ATOM 495 CA CYS A 416 -9.200 2.004 1.949 1.00 0.00 C ATOM 496 C CYS A 416 -10.584 2.353 2.463 1.00 0.00 C ATOM 497 O CYS A 416 -10.875 2.158 3.644 1.00 0.00 O ATOM 498 CB CYS A 416 -9.305 0.892 0.904 1.00 0.00 C ATOM 499 SG CYS A 416 -9.478 1.524 -0.797 1.00 0.00 S ATOM 0 H CYS A 416 -8.757 0.883 3.659 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.747 2.872 1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.418 0.262 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.161 0.260 1.139 1.00 0.00 H new ATOM 504 N HIS A 417 -11.435 2.863 1.589 1.00 0.00 N ATOM 505 CA HIS A 417 -12.796 3.190 1.984 1.00 0.00 C ATOM 506 C HIS A 417 -13.596 1.901 2.117 1.00 0.00 C ATOM 507 O HIS A 417 -13.215 0.865 1.562 1.00 0.00 O ATOM 508 CB HIS A 417 -13.462 4.128 0.971 1.00 0.00 C ATOM 509 CG HIS A 417 -12.802 5.468 0.848 1.00 0.00 C ATOM 510 ND1 HIS A 417 -13.282 6.466 0.031 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.688 5.970 1.431 1.00 0.00 C ATOM 512 CE1 HIS A 417 -12.493 7.520 0.116 1.00 0.00 C ATOM 513 NE2 HIS A 417 -11.516 7.248 0.959 1.00 0.00 N ATOM 0 H HIS A 417 -11.213 3.058 0.613 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.769 3.710 2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.465 3.646 -0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.504 4.273 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.051 5.459 2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.625 8.450 -0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.759 7.881 1.217 1.00 0.00 H new ATOM 522 N PRO A 418 -14.711 1.952 2.851 1.00 0.00 N ATOM 523 CA PRO A 418 -15.550 0.784 3.116 1.00 0.00 C ATOM 524 C PRO A 418 -16.003 0.106 1.833 1.00 0.00 C ATOM 525 O PRO A 418 -16.772 0.676 1.055 1.00 0.00 O ATOM 526 CB PRO A 418 -16.748 1.373 3.860 1.00 0.00 C ATOM 527 CG PRO A 418 -16.235 2.629 4.464 1.00 0.00 C ATOM 528 CD PRO A 418 -15.258 3.165 3.469 1.00 0.00 C ATOM 0 HA PRO A 418 -15.020 0.014 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.578 1.570 3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.116 0.688 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.043 3.338 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.756 2.438 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.743 3.808 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.480 3.759 3.948 1.00 0.00 H new ATOM 536 N GLY A 419 -15.512 -1.102 1.615 1.00 0.00 N ATOM 537 CA GLY A 419 -15.852 -1.836 0.418 1.00 0.00 C ATOM 538 C GLY A 419 -14.633 -2.212 -0.401 1.00 0.00 C ATOM 539 O GLY A 419 -14.712 -3.074 -1.273 1.00 0.00 O ATOM 0 H GLY A 419 -14.880 -1.590 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.394 -2.741 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.525 -1.235 -0.194 1.00 0.00 H new ATOM 543 N TYR A 420 -13.505 -1.567 -0.129 1.00 0.00 N ATOM 544 CA TYR A 420 -12.275 -1.852 -0.852 1.00 0.00 C ATOM 545 C TYR A 420 -11.255 -2.489 0.078 1.00 0.00 C ATOM 546 O TYR A 420 -11.211 -2.170 1.267 1.00 0.00 O ATOM 547 CB TYR A 420 -11.679 -0.570 -1.430 1.00 0.00 C ATOM 548 CG TYR A 420 -12.558 0.174 -2.410 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.614 0.964 -1.973 1.00 0.00 C ATOM 550 CD2 TYR A 420 -12.313 0.103 -3.774 1.00 0.00 C ATOM 551 CE1 TYR A 420 -14.405 1.655 -2.870 1.00 0.00 C ATOM 552 CE2 TYR A 420 -13.094 0.796 -4.676 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.138 1.569 -4.221 1.00 0.00 C ATOM 554 OH TYR A 420 -14.915 2.264 -5.119 1.00 0.00 O ATOM 0 H TYR A 420 -13.418 -0.845 0.586 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.515 -2.538 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.436 0.100 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.741 -0.818 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -13.820 1.039 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.497 -0.505 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.227 2.259 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -12.887 0.732 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.593 2.096 -6.029 1.00 0.00 H new ATOM 564 N ALA A 421 -10.442 -3.386 -0.464 1.00 0.00 N ATOM 565 CA ALA A 421 -9.361 -4.003 0.293 1.00 0.00 C ATOM 566 C ALA A 421 -8.341 -4.609 -0.662 1.00 0.00 C ATOM 567 O ALA A 421 -8.516 -4.546 -1.878 1.00 0.00 O ATOM 568 CB ALA A 421 -9.903 -5.064 1.243 1.00 0.00 C ATOM 0 H ALA A 421 -10.512 -3.704 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.871 -3.235 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.078 -5.511 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.603 -4.604 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.416 -5.837 0.671 1.00 0.00 H new ATOM 574 N LEU A 422 -7.273 -5.181 -0.124 1.00 0.00 N ATOM 575 CA LEU A 422 -6.268 -5.819 -0.960 1.00 0.00 C ATOM 576 C LEU A 422 -6.778 -7.147 -1.504 1.00 0.00 C ATOM 577 O LEU A 422 -7.548 -7.850 -0.849 1.00 0.00 O ATOM 578 CB LEU A 422 -4.958 -6.025 -0.195 1.00 0.00 C ATOM 579 CG LEU A 422 -4.056 -4.792 -0.122 1.00 0.00 C ATOM 580 CD1 LEU A 422 -2.921 -5.014 0.866 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.498 -4.460 -1.498 1.00 0.00 C ATOM 0 H LEU A 422 -7.082 -5.216 0.877 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.069 -5.154 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.193 -6.346 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.403 -6.836 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.656 -3.951 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.291 -4.125 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.333 -5.208 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.324 -5.869 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.858 -3.580 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.916 -5.304 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.320 -4.258 -2.185 1.00 0.00 H new ATOM 593 N PRO A 423 -6.334 -7.482 -2.724 1.00 0.00 N ATOM 594 CA PRO A 423 -6.740 -8.687 -3.474 1.00 0.00 C ATOM 595 C PRO A 423 -6.467 -10.021 -2.772 1.00 0.00 C ATOM 596 O PRO A 423 -6.698 -11.087 -3.342 1.00 0.00 O ATOM 597 CB PRO A 423 -5.903 -8.598 -4.744 1.00 0.00 C ATOM 598 CG PRO A 423 -5.597 -7.163 -4.896 1.00 0.00 C ATOM 599 CD PRO A 423 -5.411 -6.655 -3.509 1.00 0.00 C ATOM 0 HA PRO A 423 -7.821 -8.691 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.992 -9.190 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.451 -8.979 -5.606 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.698 -7.013 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.408 -6.639 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.381 -6.771 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.655 -5.595 -3.432 1.00 0.00 H new ATOM 607 N LYS A 424 -5.983 -9.964 -1.549 1.00 0.00 N ATOM 608 CA LYS A 424 -5.695 -11.166 -0.779 1.00 0.00 C ATOM 609 C LYS A 424 -6.217 -11.040 0.646 1.00 0.00 C ATOM 610 O LYS A 424 -5.786 -11.773 1.536 1.00 0.00 O ATOM 611 CB LYS A 424 -4.196 -11.452 -0.747 1.00 0.00 C ATOM 612 CG LYS A 424 -3.650 -12.034 -2.034 1.00 0.00 C ATOM 613 CD LYS A 424 -2.206 -12.461 -1.858 1.00 0.00 C ATOM 614 CE LYS A 424 -1.680 -13.188 -3.081 1.00 0.00 C ATOM 615 NZ LYS A 424 -0.257 -13.586 -2.920 1.00 0.00 N ATOM 0 H LYS A 424 -5.778 -9.093 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.203 -11.995 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.665 -10.526 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.986 -12.143 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.253 -12.890 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.721 -11.295 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.589 -11.584 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -2.123 -13.109 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -2.286 -14.075 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.781 -12.546 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.064 -14.080 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 0.326 -12.738 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.164 -14.219 -2.100 1.00 0.00 H new ATOM 629 N ALA A 425 -7.136 -10.095 0.849 1.00 0.00 N ATOM 630 CA ALA A 425 -7.693 -9.806 2.172 1.00 0.00 C ATOM 631 C ALA A 425 -6.607 -9.327 3.132 1.00 0.00 C ATOM 632 O ALA A 425 -6.789 -9.322 4.350 1.00 0.00 O ATOM 633 CB ALA A 425 -8.420 -11.020 2.738 1.00 0.00 C ATOM 0 H ALA A 425 -7.514 -9.510 0.104 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.420 -9.002 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.823 -10.777 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.235 -11.300 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.722 -11.853 2.828 1.00 0.00 H new ATOM 639 N GLN A 426 -5.478 -8.923 2.569 1.00 0.00 N ATOM 640 CA GLN A 426 -4.379 -8.387 3.346 1.00 0.00 C ATOM 641 C GLN A 426 -4.641 -6.921 3.654 1.00 0.00 C ATOM 642 O GLN A 426 -5.492 -6.289 3.025 1.00 0.00 O ATOM 643 CB GLN A 426 -3.069 -8.520 2.564 1.00 0.00 C ATOM 644 CG GLN A 426 -2.749 -9.940 2.118 1.00 0.00 C ATOM 645 CD GLN A 426 -2.501 -10.887 3.275 1.00 0.00 C ATOM 646 OE1 GLN A 426 -3.427 -11.508 3.796 1.00 0.00 O ATOM 647 NE2 GLN A 426 -1.248 -11.009 3.686 1.00 0.00 N ATOM 0 H GLN A 426 -5.302 -8.959 1.565 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.296 -8.947 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.117 -7.877 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.251 -8.153 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.575 -10.320 1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.868 -9.923 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.507 -10.477 3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -1.024 -11.635 4.460 1.00 0.00 H new ATOM 656 N THR A 427 -3.912 -6.388 4.614 1.00 0.00 N ATOM 657 CA THR A 427 -4.028 -4.988 4.966 1.00 0.00 C ATOM 658 C THR A 427 -2.687 -4.334 4.759 1.00 0.00 C ATOM 659 O THR A 427 -2.582 -3.201 4.302 1.00 0.00 O ATOM 660 CB THR A 427 -4.467 -4.799 6.435 1.00 0.00 C ATOM 661 OG1 THR A 427 -3.639 -5.588 7.303 1.00 0.00 O ATOM 662 CG2 THR A 427 -5.926 -5.188 6.620 1.00 0.00 C ATOM 0 H THR A 427 -3.230 -6.907 5.167 1.00 0.00 H new ATOM 0 HA THR A 427 -4.790 -4.533 4.333 1.00 0.00 H new ATOM 0 HB THR A 427 -4.355 -3.745 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 427 -3.025 -5.001 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.211 -5.046 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.553 -4.563 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.061 -6.234 6.346 1.00 0.00 H new ATOM 670 N THR A 428 -1.663 -5.094 5.063 1.00 0.00 N ATOM 671 CA THR A 428 -0.315 -4.614 5.018 1.00 0.00 C ATOM 672 C THR A 428 0.350 -4.936 3.683 1.00 0.00 C ATOM 673 O THR A 428 0.032 -5.935 3.034 1.00 0.00 O ATOM 674 CB THR A 428 0.492 -5.255 6.141 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.352 -6.109 6.928 1.00 0.00 O ATOM 676 CG2 THR A 428 1.130 -4.207 7.034 1.00 0.00 C ATOM 0 H THR A 428 -1.749 -6.069 5.350 1.00 0.00 H new ATOM 0 HA THR A 428 -0.342 -3.531 5.138 1.00 0.00 H new ATOM 0 HB THR A 428 1.287 -5.844 5.685 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.926 -5.561 7.503 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.698 -4.699 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.799 -3.582 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.353 -3.586 7.479 1.00 0.00 H new ATOM 684 N VAL A 429 1.268 -4.074 3.291 1.00 0.00 N ATOM 685 CA VAL A 429 2.053 -4.243 2.078 1.00 0.00 C ATOM 686 C VAL A 429 3.448 -3.703 2.322 1.00 0.00 C ATOM 687 O VAL A 429 3.609 -2.680 2.992 1.00 0.00 O ATOM 688 CB VAL A 429 1.382 -3.548 0.863 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.445 -2.446 1.318 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.405 -2.979 -0.089 1.00 0.00 C ATOM 0 H VAL A 429 1.494 -3.226 3.810 1.00 0.00 H new ATOM 0 HA VAL A 429 2.112 -5.304 1.834 1.00 0.00 H new ATOM 0 HB VAL A 429 0.809 -4.312 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -0.012 -1.975 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -0.334 -2.869 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.006 -1.700 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.897 -2.501 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.017 -2.243 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 429 3.041 -3.782 -0.462 1.00 0.00 H new ATOM 700 N THR A 430 4.459 -4.402 1.820 1.00 0.00 N ATOM 701 CA THR A 430 5.814 -4.053 2.180 1.00 0.00 C ATOM 702 C THR A 430 6.712 -3.835 0.980 1.00 0.00 C ATOM 703 O THR A 430 6.418 -4.271 -0.127 1.00 0.00 O ATOM 704 CB THR A 430 6.453 -5.122 3.088 1.00 0.00 C ATOM 705 OG1 THR A 430 7.104 -6.134 2.305 1.00 0.00 O ATOM 706 CG2 THR A 430 5.415 -5.793 3.973 1.00 0.00 C ATOM 0 H THR A 430 4.365 -5.191 1.181 1.00 0.00 H new ATOM 0 HA THR A 430 5.731 -3.109 2.719 1.00 0.00 H new ATOM 0 HB THR A 430 7.183 -4.609 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.513 -6.413 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.900 -6.541 4.600 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.937 -5.044 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.662 -6.275 3.349 1.00 0.00 H new ATOM 714 N CYS A 431 7.808 -3.136 1.226 1.00 0.00 N ATOM 715 CA CYS A 431 8.817 -2.888 0.215 1.00 0.00 C ATOM 716 C CYS A 431 9.767 -4.079 0.151 1.00 0.00 C ATOM 717 O CYS A 431 10.769 -4.121 0.868 1.00 0.00 O ATOM 718 CB CYS A 431 9.585 -1.609 0.563 1.00 0.00 C ATOM 719 SG CYS A 431 10.771 -1.072 -0.711 1.00 0.00 S ATOM 0 H CYS A 431 8.021 -2.725 2.135 1.00 0.00 H new ATOM 0 HA CYS A 431 8.344 -2.759 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.869 -0.806 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.122 -1.765 1.499 1.00 0.00 H new ATOM 724 N MET A 432 9.439 -5.052 -0.697 1.00 0.00 N ATOM 725 CA MET A 432 10.201 -6.296 -0.758 1.00 0.00 C ATOM 726 C MET A 432 11.534 -6.093 -1.477 1.00 0.00 C ATOM 727 O MET A 432 12.590 -6.448 -0.956 1.00 0.00 O ATOM 728 CB MET A 432 9.386 -7.415 -1.436 1.00 0.00 C ATOM 729 CG MET A 432 9.077 -7.153 -2.899 1.00 0.00 C ATOM 730 SD MET A 432 8.294 -8.556 -3.726 1.00 0.00 S ATOM 731 CE MET A 432 9.549 -9.820 -3.526 1.00 0.00 C ATOM 0 H MET A 432 8.655 -5.003 -1.348 1.00 0.00 H new ATOM 0 HA MET A 432 10.411 -6.602 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.936 -8.352 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.449 -7.547 -0.895 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.423 -6.284 -2.975 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.002 -6.903 -3.419 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.623 -10.407 -4.441 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.510 -9.349 -3.318 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.278 -10.474 -2.697 1.00 0.00 H new ATOM 741 N GLU A 433 11.478 -5.497 -2.660 1.00 0.00 N ATOM 742 CA GLU A 433 12.655 -5.313 -3.496 1.00 0.00 C ATOM 743 C GLU A 433 12.262 -4.576 -4.764 1.00 0.00 C ATOM 744 O GLU A 433 12.702 -3.458 -5.006 1.00 0.00 O ATOM 745 CB GLU A 433 13.303 -6.660 -3.842 1.00 0.00 C ATOM 746 CG GLU A 433 14.527 -6.543 -4.736 1.00 0.00 C ATOM 747 CD GLU A 433 15.280 -7.850 -4.871 1.00 0.00 C ATOM 748 OE1 GLU A 433 14.710 -8.819 -5.413 1.00 0.00 O ATOM 749 OE2 GLU A 433 16.450 -7.913 -4.440 1.00 0.00 O ATOM 0 H GLU A 433 10.618 -5.129 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 433 13.387 -4.724 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.587 -7.164 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.564 -7.292 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.219 -6.203 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.196 -5.783 -4.332 1.00 0.00 H new ATOM 756 N ASN A 434 11.402 -5.196 -5.557 1.00 0.00 N ATOM 757 CA ASN A 434 10.897 -4.564 -6.765 1.00 0.00 C ATOM 758 C ASN A 434 9.662 -3.736 -6.424 1.00 0.00 C ATOM 759 O ASN A 434 8.674 -3.725 -7.155 1.00 0.00 O ATOM 760 CB ASN A 434 10.558 -5.618 -7.827 1.00 0.00 C ATOM 761 CG ASN A 434 10.382 -5.017 -9.207 1.00 0.00 C ATOM 762 OD1 ASN A 434 11.045 -4.041 -9.568 1.00 0.00 O ATOM 763 ND2 ASN A 434 9.486 -5.589 -9.985 1.00 0.00 N ATOM 0 H ASN A 434 11.040 -6.134 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 434 11.668 -3.911 -7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 434 11.351 -6.365 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 434 9.643 -6.136 -7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.320 -5.226 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 434 8.958 -6.395 -9.649 1.00 0.00 H new ATOM 770 N GLY A 435 9.731 -3.049 -5.294 1.00 0.00 N ATOM 771 CA GLY A 435 8.613 -2.259 -4.839 1.00 0.00 C ATOM 772 C GLY A 435 7.771 -2.992 -3.816 1.00 0.00 C ATOM 773 O GLY A 435 8.184 -4.027 -3.277 1.00 0.00 O ATOM 0 H GLY A 435 10.547 -3.027 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.981 -1.329 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.991 -1.989 -5.692 1.00 0.00 H new ATOM 777 N TRP A 436 6.600 -2.434 -3.538 1.00 0.00 N ATOM 778 CA TRP A 436 5.613 -3.052 -2.658 1.00 0.00 C ATOM 779 C TRP A 436 5.246 -4.450 -3.174 1.00 0.00 C ATOM 780 O TRP A 436 4.873 -4.624 -4.334 1.00 0.00 O ATOM 781 CB TRP A 436 4.372 -2.167 -2.613 1.00 0.00 C ATOM 782 CG TRP A 436 4.631 -0.761 -2.153 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.593 0.373 -2.917 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.963 -0.336 -0.827 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.863 1.473 -2.142 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.095 1.065 -0.857 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.154 -1.004 0.383 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.409 1.807 0.277 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.469 -0.265 1.508 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.589 1.127 1.449 1.00 0.00 C ATOM 0 H TRP A 436 6.305 -1.535 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 436 6.028 -3.154 -1.655 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.927 -2.135 -3.607 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.638 -2.624 -1.950 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.381 0.399 -3.976 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.887 2.438 -2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.058 -2.078 0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.507 2.882 0.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.625 -0.772 2.449 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.829 1.676 2.348 1.00 0.00 H new ATOM 801 N SER A 437 5.360 -5.433 -2.288 1.00 0.00 N ATOM 802 CA SER A 437 5.265 -6.837 -2.658 1.00 0.00 C ATOM 803 C SER A 437 3.847 -7.266 -3.086 1.00 0.00 C ATOM 804 O SER A 437 3.703 -7.910 -4.128 1.00 0.00 O ATOM 805 CB SER A 437 5.820 -7.703 -1.516 1.00 0.00 C ATOM 806 OG SER A 437 5.450 -7.189 -0.248 1.00 0.00 O ATOM 0 H SER A 437 5.521 -5.277 -1.293 1.00 0.00 H new ATOM 0 HA SER A 437 5.875 -6.989 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.450 -8.723 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.907 -7.749 -1.588 1.00 0.00 H new ATOM 0 HG SER A 437 5.067 -7.908 0.297 1.00 0.00 H new ATOM 812 N PRO A 438 2.779 -6.957 -2.313 1.00 0.00 N ATOM 813 CA PRO A 438 1.400 -7.209 -2.741 1.00 0.00 C ATOM 814 C PRO A 438 0.902 -6.134 -3.697 1.00 0.00 C ATOM 815 O PRO A 438 -0.053 -6.339 -4.448 1.00 0.00 O ATOM 816 CB PRO A 438 0.597 -7.140 -1.438 1.00 0.00 C ATOM 817 CG PRO A 438 1.608 -7.081 -0.346 1.00 0.00 C ATOM 818 CD PRO A 438 2.793 -6.410 -0.955 1.00 0.00 C ATOM 0 HA PRO A 438 1.308 -8.158 -3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.049 -6.262 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.048 -8.012 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.233 -6.520 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.860 -8.079 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.696 -5.324 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.716 -6.650 -0.427 1.00 0.00 H new ATOM 826 N THR A 439 1.584 -4.992 -3.651 1.00 0.00 N ATOM 827 CA THR A 439 1.196 -3.797 -4.387 1.00 0.00 C ATOM 828 C THR A 439 -0.066 -3.174 -3.777 1.00 0.00 C ATOM 829 O THR A 439 -1.151 -3.755 -3.820 1.00 0.00 O ATOM 830 CB THR A 439 0.987 -4.081 -5.891 1.00 0.00 C ATOM 831 OG1 THR A 439 2.211 -4.554 -6.472 1.00 0.00 O ATOM 832 CG2 THR A 439 0.534 -2.826 -6.624 1.00 0.00 C ATOM 0 H THR A 439 2.430 -4.872 -3.095 1.00 0.00 H new ATOM 0 HA THR A 439 2.018 -3.086 -4.303 1.00 0.00 H new ATOM 0 HB THR A 439 0.213 -4.842 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.072 -4.734 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.394 -3.053 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.407 -2.477 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.291 -2.049 -6.517 1.00 0.00 H new ATOM 840 N PRO A 440 0.073 -1.978 -3.184 1.00 0.00 N ATOM 841 CA PRO A 440 -1.022 -1.316 -2.486 1.00 0.00 C ATOM 842 C PRO A 440 -2.054 -0.727 -3.438 1.00 0.00 C ATOM 843 O PRO A 440 -1.949 0.424 -3.860 1.00 0.00 O ATOM 844 CB PRO A 440 -0.345 -0.210 -1.672 1.00 0.00 C ATOM 845 CG PRO A 440 1.024 -0.034 -2.242 1.00 0.00 C ATOM 846 CD PRO A 440 1.305 -1.185 -3.172 1.00 0.00 C ATOM 0 HA PRO A 440 -1.578 -2.022 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.912 0.719 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.293 -0.482 -0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.092 0.912 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.766 -0.002 -1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.555 -0.831 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.151 -1.777 -2.822 1.00 0.00 H new ATOM 854 N ARG A 441 -3.035 -1.539 -3.789 1.00 0.00 N ATOM 855 CA ARG A 441 -4.171 -1.083 -4.565 1.00 0.00 C ATOM 856 C ARG A 441 -5.423 -1.819 -4.118 1.00 0.00 C ATOM 857 O ARG A 441 -5.609 -3.004 -4.399 1.00 0.00 O ATOM 858 CB ARG A 441 -3.929 -1.249 -6.071 1.00 0.00 C ATOM 859 CG ARG A 441 -3.465 -2.637 -6.487 1.00 0.00 C ATOM 860 CD ARG A 441 -3.365 -2.766 -8.002 1.00 0.00 C ATOM 861 NE ARG A 441 -2.393 -1.834 -8.582 1.00 0.00 N ATOM 862 CZ ARG A 441 -1.569 -2.144 -9.582 1.00 0.00 C ATOM 863 NH1 ARG A 441 -1.609 -3.353 -10.130 1.00 0.00 N ATOM 864 NH2 ARG A 441 -0.707 -1.242 -10.037 1.00 0.00 N ATOM 0 H ARG A 441 -3.066 -2.529 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.309 -0.017 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.851 -1.014 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.183 -0.520 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.494 -2.846 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.160 -3.384 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.082 -3.787 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -4.345 -2.586 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.345 -0.891 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.272 -4.047 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.977 -3.587 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -0.676 -0.311 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -0.076 -1.480 -10.803 1.00 0.00 H new ATOM 878 N CYS A 442 -6.261 -1.111 -3.389 1.00 0.00 N ATOM 879 CA CYS A 442 -7.449 -1.702 -2.810 1.00 0.00 C ATOM 880 C CYS A 442 -8.590 -1.763 -3.819 1.00 0.00 C ATOM 881 O CYS A 442 -9.077 -0.740 -4.300 1.00 0.00 O ATOM 882 CB CYS A 442 -7.859 -0.927 -1.559 1.00 0.00 C ATOM 883 SG CYS A 442 -7.808 0.883 -1.750 1.00 0.00 S ATOM 0 H CYS A 442 -6.140 -0.119 -3.183 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.219 -2.729 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.870 -1.223 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.203 -1.213 -0.737 1.00 0.00 H new ATOM 888 N ILE A 443 -8.994 -2.981 -4.140 1.00 0.00 N ATOM 889 CA ILE A 443 -10.081 -3.224 -5.063 1.00 0.00 C ATOM 890 C ILE A 443 -11.387 -3.399 -4.306 1.00 0.00 C ATOM 891 O ILE A 443 -11.386 -3.818 -3.146 1.00 0.00 O ATOM 892 CB ILE A 443 -9.808 -4.479 -5.913 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.170 -5.579 -5.057 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.924 -4.131 -7.101 1.00 0.00 C ATOM 895 CD1 ILE A 443 -9.024 -6.906 -5.774 1.00 0.00 C ATOM 0 H ILE A 443 -8.573 -3.830 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.159 -2.361 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.757 -4.856 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.186 -5.245 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.774 -5.725 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.740 -5.028 -7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.423 -3.385 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.975 -3.731 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.565 -7.633 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -10.007 -7.264 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.395 -6.776 -6.655 1.00 0.00 H new ATOM 907 N ARG A 444 -12.495 -3.063 -4.956 1.00 0.00 N ATOM 908 CA ARG A 444 -13.793 -3.174 -4.348 1.00 0.00 C ATOM 909 C ARG A 444 -14.224 -4.623 -4.283 1.00 0.00 C ATOM 910 O ARG A 444 -14.458 -5.276 -5.301 1.00 0.00 O ATOM 911 CB ARG A 444 -14.801 -2.313 -5.113 1.00 0.00 C ATOM 912 CG ARG A 444 -16.235 -2.604 -4.745 1.00 0.00 C ATOM 913 CD ARG A 444 -17.190 -1.529 -5.242 1.00 0.00 C ATOM 914 NE ARG A 444 -17.398 -0.479 -4.244 1.00 0.00 N ATOM 915 CZ ARG A 444 -17.691 0.788 -4.533 1.00 0.00 C ATOM 916 NH1 ARG A 444 -17.745 1.197 -5.794 1.00 0.00 N ATOM 917 NH2 ARG A 444 -17.925 1.647 -3.549 1.00 0.00 N ATOM 0 H ARG A 444 -12.508 -2.709 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.746 -2.804 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.590 -1.261 -4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.668 -2.474 -6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.527 -3.567 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.319 -2.689 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.795 -1.087 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -18.148 -1.983 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 444 -17.313 -0.735 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.561 0.539 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -17.970 2.169 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.880 1.336 -2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -18.150 2.619 -3.763 1.00 0.00 H new ATOM 931 N VAL A 445 -14.319 -5.107 -3.058 1.00 0.00 N ATOM 932 CA VAL A 445 -14.630 -6.493 -2.792 1.00 0.00 C ATOM 933 C VAL A 445 -16.143 -6.683 -2.694 1.00 0.00 C ATOM 934 O VAL A 445 -16.639 -7.790 -2.484 1.00 0.00 O ATOM 935 CB VAL A 445 -13.934 -6.948 -1.488 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.628 -6.370 -0.260 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.840 -8.466 -1.409 1.00 0.00 C ATOM 0 H VAL A 445 -14.181 -4.544 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.261 -7.107 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.916 -6.558 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.115 -6.708 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.601 -5.281 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.664 -6.707 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.346 -8.752 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.842 -8.894 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.265 -8.840 -2.256 1.00 0.00 H new ATOM 947 N LYS A 446 -16.862 -5.581 -2.847 1.00 0.00 N ATOM 948 CA LYS A 446 -18.311 -5.592 -2.825 1.00 0.00 C ATOM 949 C LYS A 446 -18.849 -6.004 -4.189 1.00 0.00 C ATOM 950 O LYS A 446 -19.169 -7.195 -4.373 1.00 0.00 O ATOM 951 CB LYS A 446 -18.839 -4.207 -2.447 1.00 0.00 C ATOM 952 CG LYS A 446 -18.427 -3.745 -1.060 1.00 0.00 C ATOM 953 CD LYS A 446 -19.017 -4.632 0.024 1.00 0.00 C ATOM 954 CE LYS A 446 -18.673 -4.119 1.411 1.00 0.00 C ATOM 955 NZ LYS A 446 -19.289 -4.953 2.474 1.00 0.00 N ATOM 956 OXT LYS A 446 -18.926 -5.136 -5.082 1.00 0.00 O ATOM 0 H LYS A 446 -16.455 -4.657 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.649 -6.313 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.485 -3.482 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -19.927 -4.216 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -17.340 -3.749 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -18.753 -2.716 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.100 -4.677 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -18.642 -5.649 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -17.590 -4.110 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -19.015 -3.089 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -19.032 -4.572 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -20.324 -4.941 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -18.944 -5.931 2.392 1.00 0.00 H new