USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 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 411 SER OG : rot 180:sc= 0.15 USER MOD Set 1.2: A 428 THR OG1 : rot -131:sc= -1.33 USER MOD Single : A 388 LYS NZ :NH3+ 169:sc= -0.469 (180deg=-0.654) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.644 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.3) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 401 ASN : amide:sc= -0.977 X(o=-0.98,f=-0.56) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -10.1! C(o=-10!,f=-15!) USER MOD Single : A 410 LYS NZ :NH3+ -168:sc=-0.00927 (180deg=-0.14) USER MOD Single : A 417 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-4.9!) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 427 THR OG1 : rot 102:sc= 1.27 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 149:sc= -0.527 (180deg=-2.03!) USER MOD Single : A 434 ASN : amide:sc= -1.21 K(o=-1.2,f=-6.9!) USER MOD Single : A 437 SER OG : rot 180:sc= -3.66! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.575 -0.918 -2.525 1.00 0.00 N ATOM 21 CA ARG A 387 14.901 0.269 -3.024 1.00 0.00 C ATOM 22 C ARG A 387 14.112 0.967 -1.936 1.00 0.00 C ATOM 23 O ARG A 387 14.044 0.508 -0.792 1.00 0.00 O ATOM 24 CB ARG A 387 13.965 -0.104 -4.163 1.00 0.00 C ATOM 25 CG ARG A 387 14.687 -0.412 -5.454 1.00 0.00 C ATOM 26 CD ARG A 387 14.383 0.610 -6.538 1.00 0.00 C ATOM 27 NE ARG A 387 14.987 1.915 -6.261 1.00 0.00 N ATOM 28 CZ ARG A 387 14.500 3.075 -6.707 1.00 0.00 C ATOM 29 NH1 ARG A 387 13.403 3.099 -7.455 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.124 4.208 -6.413 1.00 0.00 N ATOM 0 HA ARG A 387 15.669 0.955 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.374 -0.972 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.266 0.715 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.761 -0.437 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.400 -1.404 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.749 0.239 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 387 13.303 0.725 -6.632 1.00 0.00 H new ATOM 0 HE ARG A 387 15.833 1.939 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 387 12.928 2.228 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 387 13.036 3.988 -7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.973 4.191 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 387 14.755 5.096 -6.752 1.00 0.00 H new ATOM 44 N LYS A 388 13.525 2.088 -2.315 1.00 0.00 N ATOM 45 CA LYS A 388 12.730 2.894 -1.416 1.00 0.00 C ATOM 46 C LYS A 388 11.343 3.117 -2.007 1.00 0.00 C ATOM 47 O LYS A 388 11.156 4.032 -2.808 1.00 0.00 O ATOM 48 CB LYS A 388 13.405 4.243 -1.203 1.00 0.00 C ATOM 49 CG LYS A 388 14.849 4.163 -0.731 1.00 0.00 C ATOM 50 CD LYS A 388 14.972 3.427 0.591 1.00 0.00 C ATOM 51 CE LYS A 388 16.390 3.506 1.131 1.00 0.00 C ATOM 52 NZ LYS A 388 16.497 2.929 2.496 1.00 0.00 N ATOM 0 H LYS A 388 13.589 2.464 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 388 12.639 2.374 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.373 4.802 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.829 4.811 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.450 3.656 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.253 5.170 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.279 3.856 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.688 2.383 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.064 2.975 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.713 4.547 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.500 2.831 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.024 3.558 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.042 1.994 2.514 1.00 0.00 H new ATOM 66 N CYS A 389 10.390 2.277 -1.627 1.00 0.00 N ATOM 67 CA CYS A 389 9.036 2.355 -2.162 1.00 0.00 C ATOM 68 C CYS A 389 8.370 3.672 -1.813 1.00 0.00 C ATOM 69 O CYS A 389 8.098 3.959 -0.645 1.00 0.00 O ATOM 70 CB CYS A 389 8.185 1.213 -1.629 1.00 0.00 C ATOM 71 SG CYS A 389 8.983 -0.411 -1.750 1.00 0.00 S ATOM 0 H CYS A 389 10.530 1.530 -0.947 1.00 0.00 H new ATOM 0 HA CYS A 389 9.116 2.282 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.940 1.411 -0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.243 1.187 -2.178 1.00 0.00 H new ATOM 76 N TYR A 390 8.121 4.465 -2.833 1.00 0.00 N ATOM 77 CA TYR A 390 7.368 5.691 -2.685 1.00 0.00 C ATOM 78 C TYR A 390 5.883 5.352 -2.638 1.00 0.00 C ATOM 79 O TYR A 390 5.326 4.873 -3.627 1.00 0.00 O ATOM 80 CB TYR A 390 7.675 6.628 -3.859 1.00 0.00 C ATOM 81 CG TYR A 390 7.096 8.020 -3.725 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.821 9.037 -3.113 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.837 8.326 -4.227 1.00 0.00 C ATOM 84 CE1 TYR A 390 7.306 10.314 -3.002 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.317 9.601 -4.123 1.00 0.00 C ATOM 86 CZ TYR A 390 6.054 10.592 -3.511 1.00 0.00 C ATOM 87 OH TYR A 390 5.537 11.864 -3.408 1.00 0.00 O ATOM 0 H TYR A 390 8.434 4.278 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 390 7.648 6.197 -1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.756 6.708 -3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.294 6.177 -4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.803 8.825 -2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.255 7.553 -4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.880 11.091 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.337 9.821 -4.520 1.00 0.00 H new ATOM 0 HH TYR A 390 4.647 11.890 -3.818 1.00 0.00 H new ATOM 97 N PHE A 391 5.256 5.552 -1.484 1.00 0.00 N ATOM 98 CA PHE A 391 3.843 5.233 -1.333 1.00 0.00 C ATOM 99 C PHE A 391 3.011 6.095 -2.274 1.00 0.00 C ATOM 100 O PHE A 391 3.081 7.328 -2.225 1.00 0.00 O ATOM 101 CB PHE A 391 3.390 5.431 0.116 1.00 0.00 C ATOM 102 CG PHE A 391 2.070 4.772 0.425 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.876 5.437 0.208 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.031 3.481 0.926 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.334 4.828 0.483 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.827 2.867 1.204 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.357 3.542 0.983 1.00 0.00 C ATOM 0 H PHE A 391 5.700 5.930 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 391 3.696 4.184 -1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.152 5.032 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.312 6.499 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.890 6.444 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.954 2.949 1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.259 5.357 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.811 1.860 1.594 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.300 3.064 1.201 1.00 0.00 H new ATOM 117 N PRO A 392 2.213 5.448 -3.138 1.00 0.00 N ATOM 118 CA PRO A 392 1.462 6.123 -4.196 1.00 0.00 C ATOM 119 C PRO A 392 0.165 6.753 -3.706 1.00 0.00 C ATOM 120 O PRO A 392 -0.257 6.555 -2.565 1.00 0.00 O ATOM 121 CB PRO A 392 1.154 4.974 -5.148 1.00 0.00 C ATOM 122 CG PRO A 392 0.930 3.830 -4.229 1.00 0.00 C ATOM 123 CD PRO A 392 1.965 3.990 -3.148 1.00 0.00 C ATOM 0 HA PRO A 392 2.021 6.952 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.274 5.180 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.980 4.785 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.078 3.848 -3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.045 2.878 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.600 3.636 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.872 3.428 -3.371 1.00 0.00 H new ATOM 131 N TYR A 393 -0.462 7.511 -4.588 1.00 0.00 N ATOM 132 CA TYR A 393 -1.716 8.168 -4.275 1.00 0.00 C ATOM 133 C TYR A 393 -2.886 7.275 -4.646 1.00 0.00 C ATOM 134 O TYR A 393 -3.009 6.823 -5.784 1.00 0.00 O ATOM 135 CB TYR A 393 -1.805 9.511 -5.007 1.00 0.00 C ATOM 136 CG TYR A 393 -3.037 10.325 -4.674 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.229 10.130 -5.359 1.00 0.00 C ATOM 138 CD2 TYR A 393 -3.002 11.296 -3.683 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.353 10.876 -5.061 1.00 0.00 C ATOM 140 CE2 TYR A 393 -4.120 12.049 -3.382 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.292 11.837 -4.073 1.00 0.00 C ATOM 142 OH TYR A 393 -6.403 12.593 -3.778 1.00 0.00 O ATOM 0 H TYR A 393 -0.119 7.687 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 393 -1.757 8.357 -3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -0.920 10.100 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -1.785 9.327 -6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.278 9.383 -6.137 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -2.085 11.466 -3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.274 10.708 -5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -4.075 12.801 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 393 -6.189 13.222 -3.057 1.00 0.00 H new ATOM 152 N LEU A 394 -3.736 7.036 -3.670 1.00 0.00 N ATOM 153 CA LEU A 394 -4.880 6.169 -3.833 1.00 0.00 C ATOM 154 C LEU A 394 -6.156 6.987 -3.967 1.00 0.00 C ATOM 155 O LEU A 394 -6.408 7.890 -3.171 1.00 0.00 O ATOM 156 CB LEU A 394 -4.975 5.244 -2.622 1.00 0.00 C ATOM 157 CG LEU A 394 -3.773 4.324 -2.423 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.746 3.794 -1.003 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.805 3.174 -3.416 1.00 0.00 C ATOM 0 H LEU A 394 -3.651 7.440 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.759 5.578 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.101 5.853 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.871 4.631 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 394 -2.866 4.902 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.884 3.139 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.675 4.628 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -4.660 3.233 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.939 2.531 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.718 2.596 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.781 3.569 -4.431 1.00 0.00 H new ATOM 171 N GLU A 395 -6.938 6.677 -4.989 1.00 0.00 N ATOM 172 CA GLU A 395 -8.237 7.301 -5.182 1.00 0.00 C ATOM 173 C GLU A 395 -9.304 6.453 -4.500 1.00 0.00 C ATOM 174 O GLU A 395 -10.294 6.960 -3.976 1.00 0.00 O ATOM 175 CB GLU A 395 -8.542 7.430 -6.677 1.00 0.00 C ATOM 176 CG GLU A 395 -9.811 8.209 -6.980 1.00 0.00 C ATOM 177 CD GLU A 395 -9.709 9.668 -6.583 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.198 10.470 -7.392 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.144 10.019 -5.467 1.00 0.00 O ATOM 0 H GLU A 395 -6.693 5.991 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.230 8.299 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.701 7.919 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.628 6.433 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.029 8.141 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.648 7.751 -6.454 1.00 0.00 H new ATOM 186 N ASN A 396 -9.073 5.145 -4.496 1.00 0.00 N ATOM 187 CA ASN A 396 -9.989 4.203 -3.860 1.00 0.00 C ATOM 188 C ASN A 396 -9.543 3.900 -2.437 1.00 0.00 C ATOM 189 O ASN A 396 -10.140 3.070 -1.746 1.00 0.00 O ATOM 190 CB ASN A 396 -10.077 2.906 -4.670 1.00 0.00 C ATOM 191 CG ASN A 396 -10.871 3.073 -5.952 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.087 2.899 -5.963 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.191 3.408 -7.038 1.00 0.00 N ATOM 0 H ASN A 396 -8.257 4.711 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.977 4.662 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.071 2.564 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -10.539 2.131 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.677 3.531 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.181 3.543 -6.986 1.00 0.00 H new ATOM 200 N GLY A 397 -8.507 4.593 -1.998 1.00 0.00 N ATOM 201 CA GLY A 397 -7.970 4.369 -0.674 1.00 0.00 C ATOM 202 C GLY A 397 -7.525 5.654 -0.013 1.00 0.00 C ATOM 203 O GLY A 397 -7.485 6.705 -0.651 1.00 0.00 O ATOM 0 H GLY A 397 -8.025 5.311 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.726 3.886 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.125 3.684 -0.738 1.00 0.00 H new ATOM 207 N TYR A 398 -7.196 5.568 1.264 1.00 0.00 N ATOM 208 CA TYR A 398 -6.746 6.718 2.023 1.00 0.00 C ATOM 209 C TYR A 398 -5.239 6.887 1.885 1.00 0.00 C ATOM 210 O TYR A 398 -4.462 6.052 2.353 1.00 0.00 O ATOM 211 CB TYR A 398 -7.132 6.556 3.493 1.00 0.00 C ATOM 212 CG TYR A 398 -8.624 6.463 3.718 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.428 7.591 3.646 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.231 5.244 3.993 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.792 7.507 3.845 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.593 5.152 4.191 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.368 6.287 4.114 1.00 0.00 C ATOM 218 OH TYR A 398 -12.728 6.204 4.313 1.00 0.00 O ATOM 0 H TYR A 398 -7.234 4.702 1.801 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.230 7.612 1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.656 5.659 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.739 7.401 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.980 8.550 3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.625 4.352 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.404 8.395 3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.048 4.196 4.405 1.00 0.00 H new ATOM 0 HH TYR A 398 -12.976 5.273 4.491 1.00 0.00 H new ATOM 228 N ASN A 399 -4.836 7.973 1.248 1.00 0.00 N ATOM 229 CA ASN A 399 -3.426 8.241 0.984 1.00 0.00 C ATOM 230 C ASN A 399 -2.744 8.885 2.184 1.00 0.00 C ATOM 231 O ASN A 399 -2.065 9.904 2.054 1.00 0.00 O ATOM 232 CB ASN A 399 -3.279 9.140 -0.249 1.00 0.00 C ATOM 233 CG ASN A 399 -4.307 10.255 -0.292 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.085 11.346 0.228 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.439 9.985 -0.925 1.00 0.00 N ATOM 0 H ASN A 399 -5.470 8.692 0.900 1.00 0.00 H new ATOM 0 HA ASN A 399 -2.937 7.286 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.279 9.574 -0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.372 8.532 -1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.167 10.696 -0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.583 9.066 -1.343 1.00 0.00 H new ATOM 242 N GLN A 400 -2.896 8.262 3.343 1.00 0.00 N ATOM 243 CA GLN A 400 -2.318 8.774 4.575 1.00 0.00 C ATOM 244 C GLN A 400 -0.800 8.634 4.564 1.00 0.00 C ATOM 245 O GLN A 400 -0.100 9.275 5.343 1.00 0.00 O ATOM 246 CB GLN A 400 -2.909 8.027 5.774 1.00 0.00 C ATOM 247 CG GLN A 400 -2.594 6.540 5.790 1.00 0.00 C ATOM 248 CD GLN A 400 -3.427 5.764 6.792 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.862 6.301 7.811 1.00 0.00 O ATOM 250 NE2 GLN A 400 -3.649 4.488 6.513 1.00 0.00 N ATOM 0 H GLN A 400 -3.419 7.394 3.455 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.559 9.834 4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.532 8.478 6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.991 8.159 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -2.760 6.129 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -1.538 6.401 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -3.271 4.080 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -4.198 3.914 7.153 1.00 0.00 H new ATOM 259 N ASN A 401 -0.293 7.792 3.672 1.00 0.00 N ATOM 260 CA ASN A 401 1.137 7.529 3.616 1.00 0.00 C ATOM 261 C ASN A 401 1.735 8.039 2.311 1.00 0.00 C ATOM 262 O ASN A 401 2.933 7.890 2.073 1.00 0.00 O ATOM 263 CB ASN A 401 1.420 6.029 3.749 1.00 0.00 C ATOM 264 CG ASN A 401 0.447 5.319 4.663 1.00 0.00 C ATOM 265 OD1 ASN A 401 -0.540 4.741 4.206 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.692 5.382 5.957 1.00 0.00 N ATOM 0 H ASN A 401 -0.847 7.284 2.983 1.00 0.00 H new ATOM 0 HA ASN A 401 1.599 8.057 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.382 5.570 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.433 5.889 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.053 4.942 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.521 5.870 6.296 1.00 0.00 H new ATOM 273 N TYR A 402 0.902 8.643 1.468 1.00 0.00 N ATOM 274 CA TYR A 402 1.355 9.100 0.157 1.00 0.00 C ATOM 275 C TYR A 402 2.428 10.174 0.281 1.00 0.00 C ATOM 276 O TYR A 402 2.258 11.172 0.987 1.00 0.00 O ATOM 277 CB TYR A 402 0.179 9.617 -0.680 1.00 0.00 C ATOM 278 CG TYR A 402 0.597 10.370 -1.928 1.00 0.00 C ATOM 279 CD1 TYR A 402 1.354 9.750 -2.913 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.241 11.701 -2.118 1.00 0.00 C ATOM 281 CE1 TYR A 402 1.744 10.429 -4.048 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.629 12.387 -3.254 1.00 0.00 C ATOM 283 CZ TYR A 402 1.379 11.746 -4.215 1.00 0.00 C ATOM 284 OH TYR A 402 1.772 12.422 -5.346 1.00 0.00 O ATOM 0 H TYR A 402 -0.082 8.826 1.666 1.00 0.00 H new ATOM 0 HA TYR A 402 1.793 8.242 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.447 8.773 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.435 10.272 -0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 402 1.643 8.717 -2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.348 12.206 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 402 2.333 9.930 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.345 13.421 -3.387 1.00 0.00 H new ATOM 0 HH TYR A 402 1.433 13.341 -5.312 1.00 0.00 H new ATOM 294 N GLY A 403 3.537 9.956 -0.406 1.00 0.00 N ATOM 295 CA GLY A 403 4.620 10.913 -0.386 1.00 0.00 C ATOM 296 C GLY A 403 5.749 10.459 0.507 1.00 0.00 C ATOM 297 O GLY A 403 6.763 11.144 0.650 1.00 0.00 O ATOM 0 H GLY A 403 3.706 9.130 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.994 11.061 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 403 4.247 11.877 -0.040 1.00 0.00 H new ATOM 301 N ARG A 404 5.568 9.299 1.111 1.00 0.00 N ATOM 302 CA ARG A 404 6.562 8.743 2.009 1.00 0.00 C ATOM 303 C ARG A 404 7.241 7.548 1.373 1.00 0.00 C ATOM 304 O ARG A 404 6.605 6.757 0.676 1.00 0.00 O ATOM 305 CB ARG A 404 5.904 8.331 3.319 1.00 0.00 C ATOM 306 CG ARG A 404 5.219 9.487 4.022 1.00 0.00 C ATOM 307 CD ARG A 404 4.378 9.022 5.197 1.00 0.00 C ATOM 308 NE ARG A 404 3.594 10.116 5.764 1.00 0.00 N ATOM 309 CZ ARG A 404 2.829 10.008 6.849 1.00 0.00 C ATOM 310 NH1 ARG A 404 2.706 8.845 7.479 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.167 11.067 7.291 1.00 0.00 N ATOM 0 H ARG A 404 4.736 8.721 0.994 1.00 0.00 H new ATOM 0 HA ARG A 404 7.315 9.505 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.173 7.547 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.658 7.905 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.971 10.195 4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.586 10.019 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.709 8.224 4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.027 8.602 5.966 1.00 0.00 H new ATOM 0 HE ARG A 404 3.635 11.023 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.200 8.023 7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.117 8.774 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.245 11.958 6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.579 10.991 8.121 1.00 0.00 H new ATOM 325 N LYS A 405 8.532 7.429 1.607 1.00 0.00 N ATOM 326 CA LYS A 405 9.299 6.316 1.089 1.00 0.00 C ATOM 327 C LYS A 405 9.627 5.331 2.197 1.00 0.00 C ATOM 328 O LYS A 405 10.105 5.707 3.270 1.00 0.00 O ATOM 329 CB LYS A 405 10.572 6.818 0.416 1.00 0.00 C ATOM 330 CG LYS A 405 10.355 7.242 -1.027 1.00 0.00 C ATOM 331 CD LYS A 405 11.597 7.875 -1.631 1.00 0.00 C ATOM 332 CE LYS A 405 11.893 9.234 -1.018 1.00 0.00 C ATOM 333 NZ LYS A 405 13.024 9.911 -1.702 1.00 0.00 N ATOM 0 H LYS A 405 9.075 8.095 2.157 1.00 0.00 H new ATOM 0 HA LYS A 405 8.697 5.797 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.966 7.662 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.327 6.033 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.067 6.374 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.528 7.950 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 405 12.451 7.215 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.463 7.983 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.004 9.861 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.127 9.113 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.196 10.835 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.879 9.324 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.790 10.049 -2.706 1.00 0.00 H new ATOM 347 N PHE A 406 9.355 4.071 1.929 1.00 0.00 N ATOM 348 CA PHE A 406 9.581 3.010 2.892 1.00 0.00 C ATOM 349 C PHE A 406 10.744 2.148 2.441 1.00 0.00 C ATOM 350 O PHE A 406 11.017 2.030 1.240 1.00 0.00 O ATOM 351 CB PHE A 406 8.321 2.152 3.050 1.00 0.00 C ATOM 352 CG PHE A 406 7.145 2.905 3.616 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.405 3.769 2.823 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.783 2.748 4.942 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.327 4.459 3.343 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.706 3.436 5.467 1.00 0.00 C ATOM 357 CZ PHE A 406 4.978 4.293 4.667 1.00 0.00 C ATOM 0 H PHE A 406 8.972 3.752 1.039 1.00 0.00 H new ATOM 0 HA PHE A 406 9.818 3.457 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.046 1.743 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.547 1.306 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.675 3.904 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.349 2.080 5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.758 5.127 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.434 3.303 6.504 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.137 4.832 5.077 1.00 0.00 H new ATOM 367 N VAL A 407 11.438 1.567 3.402 1.00 0.00 N ATOM 368 CA VAL A 407 12.560 0.701 3.102 1.00 0.00 C ATOM 369 C VAL A 407 12.067 -0.643 2.598 1.00 0.00 C ATOM 370 O VAL A 407 11.069 -1.172 3.073 1.00 0.00 O ATOM 371 CB VAL A 407 13.468 0.486 4.331 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.032 1.809 4.815 1.00 0.00 C ATOM 373 CG2 VAL A 407 12.721 -0.212 5.456 1.00 0.00 C ATOM 0 H VAL A 407 11.243 1.680 4.397 1.00 0.00 H new ATOM 0 HA VAL A 407 13.149 1.193 2.328 1.00 0.00 H new ATOM 0 HB VAL A 407 14.293 -0.157 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.670 1.637 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 407 14.618 2.268 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.214 2.474 5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 407 13.389 -0.348 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 407 11.868 0.396 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 407 12.370 -1.184 5.111 1.00 0.00 H new ATOM 383 N GLN A 408 12.739 -1.162 1.599 1.00 0.00 N ATOM 384 CA GLN A 408 12.424 -2.471 1.069 1.00 0.00 C ATOM 385 C GLN A 408 12.579 -3.536 2.147 1.00 0.00 C ATOM 386 O GLN A 408 13.623 -3.635 2.790 1.00 0.00 O ATOM 387 CB GLN A 408 13.334 -2.728 -0.101 1.00 0.00 C ATOM 388 CG GLN A 408 12.958 -3.901 -0.958 1.00 0.00 C ATOM 389 CD GLN A 408 13.327 -3.598 -2.383 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.203 -2.464 -2.811 1.00 0.00 O ATOM 391 NE2 GLN A 408 13.835 -4.557 -3.110 1.00 0.00 N ATOM 0 H GLN A 408 13.515 -0.694 1.131 1.00 0.00 H new ATOM 0 HA GLN A 408 11.387 -2.510 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.357 -1.835 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.346 -2.882 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.474 -4.798 -0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.889 -4.099 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.926 -5.497 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.141 -4.366 -4.064 1.00 0.00 H new ATOM 400 N GLY A 409 11.527 -4.313 2.342 1.00 0.00 N ATOM 401 CA GLY A 409 11.493 -5.267 3.431 1.00 0.00 C ATOM 402 C GLY A 409 10.674 -4.740 4.589 1.00 0.00 C ATOM 403 O GLY A 409 10.713 -5.278 5.695 1.00 0.00 O ATOM 0 H GLY A 409 10.689 -4.300 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.070 -6.209 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.509 -5.478 3.766 1.00 0.00 H new ATOM 407 N LYS A 410 9.926 -3.681 4.320 1.00 0.00 N ATOM 408 CA LYS A 410 9.103 -3.033 5.329 1.00 0.00 C ATOM 409 C LYS A 410 7.644 -3.285 5.022 1.00 0.00 C ATOM 410 O LYS A 410 7.281 -3.461 3.873 1.00 0.00 O ATOM 411 CB LYS A 410 9.366 -1.527 5.322 1.00 0.00 C ATOM 412 CG LYS A 410 8.552 -0.738 6.319 1.00 0.00 C ATOM 413 CD LYS A 410 8.864 -1.127 7.753 1.00 0.00 C ATOM 414 CE LYS A 410 8.124 -0.238 8.735 1.00 0.00 C ATOM 415 NZ LYS A 410 8.661 1.148 8.740 1.00 0.00 N ATOM 0 H LYS A 410 9.872 -3.248 3.398 1.00 0.00 H new ATOM 0 HA LYS A 410 9.350 -3.439 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.424 -1.356 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 410 9.164 -1.142 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.746 0.326 6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 410 7.491 -0.896 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.586 -2.168 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.937 -1.052 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 410 7.065 -0.216 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 410 8.201 -0.661 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 8.276 1.667 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 9.698 1.118 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 8.385 1.630 7.861 1.00 0.00 H new ATOM 429 N SER A 411 6.818 -3.298 6.039 1.00 0.00 N ATOM 430 CA SER A 411 5.398 -3.474 5.844 1.00 0.00 C ATOM 431 C SER A 411 4.645 -2.323 6.490 1.00 0.00 C ATOM 432 O SER A 411 5.183 -1.619 7.346 1.00 0.00 O ATOM 433 CB SER A 411 4.952 -4.818 6.418 1.00 0.00 C ATOM 434 OG SER A 411 3.584 -5.077 6.161 1.00 0.00 O ATOM 0 H SER A 411 7.104 -3.189 7.012 1.00 0.00 H new ATOM 0 HA SER A 411 5.175 -3.474 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.559 -5.615 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.127 -4.829 7.494 1.00 0.00 H new ATOM 0 HG SER A 411 3.338 -5.946 6.542 1.00 0.00 H new ATOM 440 N ILE A 412 3.410 -2.134 6.066 1.00 0.00 N ATOM 441 CA ILE A 412 2.597 -1.020 6.540 1.00 0.00 C ATOM 442 C ILE A 412 1.167 -1.182 6.064 1.00 0.00 C ATOM 443 O ILE A 412 0.900 -1.419 4.881 1.00 0.00 O ATOM 444 CB ILE A 412 3.192 0.349 6.113 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.455 1.516 6.780 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.203 0.505 4.597 1.00 0.00 C ATOM 447 CD1 ILE A 412 1.222 1.957 6.042 1.00 0.00 C ATOM 0 H ILE A 412 2.942 -2.739 5.391 1.00 0.00 H new ATOM 0 HA ILE A 412 2.600 -1.033 7.630 1.00 0.00 H new ATOM 0 HB ILE A 412 4.226 0.371 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.176 1.226 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 412 3.137 2.362 6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.626 1.475 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.807 -0.287 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.184 0.439 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.756 2.786 6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.495 2.280 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 412 0.520 1.126 5.978 1.00 0.00 H new ATOM 459 N ASP A 413 0.260 -1.107 7.012 1.00 0.00 N ATOM 460 CA ASP A 413 -1.142 -1.404 6.770 1.00 0.00 C ATOM 461 C ASP A 413 -1.837 -0.229 6.098 1.00 0.00 C ATOM 462 O ASP A 413 -1.745 0.913 6.550 1.00 0.00 O ATOM 463 CB ASP A 413 -1.828 -1.772 8.080 1.00 0.00 C ATOM 464 CG ASP A 413 -3.306 -2.075 7.930 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.645 -3.177 7.449 1.00 0.00 O ATOM 466 OD2 ASP A 413 -4.135 -1.227 8.321 1.00 0.00 O ATOM 0 H ASP A 413 0.469 -0.839 7.974 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.209 -2.256 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.330 -2.641 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.704 -0.952 8.788 1.00 0.00 H new ATOM 471 N VAL A 414 -2.536 -0.531 5.025 1.00 0.00 N ATOM 472 CA VAL A 414 -3.150 0.483 4.178 1.00 0.00 C ATOM 473 C VAL A 414 -4.661 0.505 4.390 1.00 0.00 C ATOM 474 O VAL A 414 -5.249 -0.477 4.841 1.00 0.00 O ATOM 475 CB VAL A 414 -2.838 0.219 2.682 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.346 1.348 1.799 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.346 0.020 2.473 1.00 0.00 C ATOM 0 H VAL A 414 -2.698 -1.488 4.710 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.732 1.451 4.456 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.359 -0.694 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.110 1.130 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.426 1.442 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -2.867 2.282 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.148 -0.164 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.811 0.915 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.007 -0.834 3.060 1.00 0.00 H new ATOM 487 N ALA A 415 -5.288 1.624 4.068 1.00 0.00 N ATOM 488 CA ALA A 415 -6.717 1.769 4.258 1.00 0.00 C ATOM 489 C ALA A 415 -7.423 2.063 2.937 1.00 0.00 C ATOM 490 O ALA A 415 -7.493 3.208 2.502 1.00 0.00 O ATOM 491 CB ALA A 415 -6.998 2.868 5.273 1.00 0.00 C ATOM 0 H ALA A 415 -4.828 2.444 3.674 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.109 0.826 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.075 2.970 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.534 2.611 6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.587 3.811 4.912 1.00 0.00 H new ATOM 497 N CYS A 416 -7.916 1.020 2.288 1.00 0.00 N ATOM 498 CA CYS A 416 -8.782 1.188 1.128 1.00 0.00 C ATOM 499 C CYS A 416 -10.210 1.408 1.616 1.00 0.00 C ATOM 500 O CYS A 416 -10.574 0.932 2.692 1.00 0.00 O ATOM 501 CB CYS A 416 -8.696 -0.036 0.212 1.00 0.00 C ATOM 502 SG CYS A 416 -7.055 -0.284 -0.549 1.00 0.00 S ATOM 0 H CYS A 416 -7.733 0.049 2.543 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.461 2.053 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.956 -0.925 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.440 0.062 -0.578 1.00 0.00 H new ATOM 507 N HIS A 417 -11.019 2.139 0.848 1.00 0.00 N ATOM 508 CA HIS A 417 -12.323 2.560 1.355 1.00 0.00 C ATOM 509 C HIS A 417 -13.319 1.407 1.379 1.00 0.00 C ATOM 510 O HIS A 417 -13.199 0.477 0.587 1.00 0.00 O ATOM 511 CB HIS A 417 -12.869 3.794 0.605 1.00 0.00 C ATOM 512 CG HIS A 417 -13.611 3.598 -0.683 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.182 4.154 -1.869 1.00 0.00 N ATOM 514 CD2 HIS A 417 -14.825 3.061 -0.941 1.00 0.00 C ATOM 515 CE1 HIS A 417 -14.101 3.973 -2.796 1.00 0.00 C ATOM 516 NE2 HIS A 417 -15.109 3.312 -2.260 1.00 0.00 N ATOM 0 H HIS A 417 -10.802 2.444 -0.101 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.178 2.871 2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.532 4.326 1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -12.026 4.453 0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -15.454 2.533 -0.240 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.039 4.309 -3.821 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -15.961 3.033 -2.747 1.00 0.00 H new ATOM 525 N PRO A 418 -14.304 1.473 2.306 1.00 0.00 N ATOM 526 CA PRO A 418 -15.273 0.402 2.580 1.00 0.00 C ATOM 527 C PRO A 418 -15.650 -0.440 1.366 1.00 0.00 C ATOM 528 O PRO A 418 -16.292 0.037 0.424 1.00 0.00 O ATOM 529 CB PRO A 418 -16.462 1.197 3.093 1.00 0.00 C ATOM 530 CG PRO A 418 -15.833 2.267 3.905 1.00 0.00 C ATOM 531 CD PRO A 418 -14.572 2.639 3.176 1.00 0.00 C ATOM 0 HA PRO A 418 -14.877 -0.345 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.054 1.608 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.131 0.579 3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.497 3.126 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.614 1.916 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -14.702 3.551 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.749 2.818 3.868 1.00 0.00 H new ATOM 539 N GLY A 419 -15.237 -1.698 1.402 1.00 0.00 N ATOM 540 CA GLY A 419 -15.507 -2.604 0.310 1.00 0.00 C ATOM 541 C GLY A 419 -14.268 -2.905 -0.503 1.00 0.00 C ATOM 542 O GLY A 419 -14.299 -3.739 -1.408 1.00 0.00 O ATOM 0 H GLY A 419 -14.715 -2.108 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.915 -3.534 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.269 -2.172 -0.339 1.00 0.00 H new ATOM 546 N TYR A 420 -13.171 -2.235 -0.178 1.00 0.00 N ATOM 547 CA TYR A 420 -11.922 -2.430 -0.891 1.00 0.00 C ATOM 548 C TYR A 420 -10.824 -2.896 0.046 1.00 0.00 C ATOM 549 O TYR A 420 -10.767 -2.491 1.205 1.00 0.00 O ATOM 550 CB TYR A 420 -11.507 -1.139 -1.595 1.00 0.00 C ATOM 551 CG TYR A 420 -12.507 -0.705 -2.632 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.739 -1.498 -3.748 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.236 0.473 -2.492 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.668 -1.139 -4.700 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.165 0.835 -3.449 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.377 0.028 -4.547 1.00 0.00 C ATOM 557 OH TYR A 420 -15.313 0.386 -5.489 1.00 0.00 O ATOM 0 H TYR A 420 -13.124 -1.551 0.577 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.078 -3.206 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.387 -0.347 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.536 -1.282 -2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.180 -2.414 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.075 1.106 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.838 -1.770 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.726 1.751 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.726 1.237 -5.233 1.00 0.00 H new ATOM 567 N ALA A 421 -9.964 -3.754 -0.473 1.00 0.00 N ATOM 568 CA ALA A 421 -8.850 -4.295 0.284 1.00 0.00 C ATOM 569 C ALA A 421 -7.714 -4.650 -0.664 1.00 0.00 C ATOM 570 O ALA A 421 -7.732 -4.263 -1.828 1.00 0.00 O ATOM 571 CB ALA A 421 -9.294 -5.513 1.079 1.00 0.00 C ATOM 0 H ALA A 421 -10.019 -4.096 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.495 -3.544 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.448 -5.908 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.088 -5.227 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.665 -6.278 0.396 1.00 0.00 H new ATOM 577 N LEU A 422 -6.740 -5.388 -0.173 1.00 0.00 N ATOM 578 CA LEU A 422 -5.562 -5.718 -0.954 1.00 0.00 C ATOM 579 C LEU A 422 -5.548 -7.175 -1.368 1.00 0.00 C ATOM 580 O LEU A 422 -6.249 -8.007 -0.784 1.00 0.00 O ATOM 581 CB LEU A 422 -4.311 -5.400 -0.147 1.00 0.00 C ATOM 582 CG LEU A 422 -4.003 -3.909 -0.019 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.868 -3.679 0.948 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.663 -3.311 -1.372 1.00 0.00 C ATOM 0 H LEU A 422 -6.740 -5.774 0.771 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.584 -5.117 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.421 -5.823 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.458 -5.896 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.895 -3.415 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.665 -2.611 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.142 -4.067 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.976 -4.193 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.447 -2.249 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.789 -3.816 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.508 -3.438 -2.049 1.00 0.00 H new ATOM 596 N PRO A 423 -4.751 -7.482 -2.401 1.00 0.00 N ATOM 597 CA PRO A 423 -4.543 -8.844 -2.884 1.00 0.00 C ATOM 598 C PRO A 423 -4.242 -9.829 -1.758 1.00 0.00 C ATOM 599 O PRO A 423 -3.558 -9.496 -0.783 1.00 0.00 O ATOM 600 CB PRO A 423 -3.338 -8.702 -3.809 1.00 0.00 C ATOM 601 CG PRO A 423 -3.411 -7.307 -4.313 1.00 0.00 C ATOM 602 CD PRO A 423 -3.996 -6.498 -3.199 1.00 0.00 C ATOM 0 HA PRO A 423 -5.432 -9.245 -3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.405 -8.881 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.380 -9.421 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.422 -6.938 -4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.032 -7.247 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.219 -6.015 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.645 -5.709 -3.577 1.00 0.00 H new ATOM 610 N LYS A 424 -4.765 -11.038 -1.915 1.00 0.00 N ATOM 611 CA LYS A 424 -4.637 -12.107 -0.924 1.00 0.00 C ATOM 612 C LYS A 424 -5.411 -11.763 0.344 1.00 0.00 C ATOM 613 O LYS A 424 -5.030 -12.168 1.446 1.00 0.00 O ATOM 614 CB LYS A 424 -3.164 -12.395 -0.595 1.00 0.00 C ATOM 615 CG LYS A 424 -2.374 -12.953 -1.770 1.00 0.00 C ATOM 616 CD LYS A 424 -0.918 -13.205 -1.404 1.00 0.00 C ATOM 617 CE LYS A 424 -0.796 -14.190 -0.253 1.00 0.00 C ATOM 618 NZ LYS A 424 0.622 -14.521 0.049 1.00 0.00 N ATOM 0 H LYS A 424 -5.296 -11.310 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.065 -13.011 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.690 -11.475 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.117 -13.103 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.831 -13.884 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.423 -12.255 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.385 -13.591 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.442 -12.263 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.267 -13.770 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.337 -15.104 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.660 -15.195 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 1.066 -14.946 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 1.133 -13.653 0.309 1.00 0.00 H new ATOM 632 N ALA A 425 -6.496 -11.005 0.167 1.00 0.00 N ATOM 633 CA ALA A 425 -7.378 -10.604 1.263 1.00 0.00 C ATOM 634 C ALA A 425 -6.608 -9.889 2.372 1.00 0.00 C ATOM 635 O ALA A 425 -6.949 -9.998 3.550 1.00 0.00 O ATOM 636 CB ALA A 425 -8.132 -11.807 1.819 1.00 0.00 C ATOM 0 H ALA A 425 -6.787 -10.651 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.104 -9.899 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.782 -11.485 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.735 -12.255 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.419 -12.542 2.193 1.00 0.00 H new ATOM 642 N GLN A 426 -5.573 -9.156 1.987 1.00 0.00 N ATOM 643 CA GLN A 426 -4.748 -8.428 2.940 1.00 0.00 C ATOM 644 C GLN A 426 -5.196 -6.978 3.015 1.00 0.00 C ATOM 645 O GLN A 426 -6.015 -6.534 2.214 1.00 0.00 O ATOM 646 CB GLN A 426 -3.278 -8.492 2.523 1.00 0.00 C ATOM 647 CG GLN A 426 -2.722 -9.904 2.477 1.00 0.00 C ATOM 648 CD GLN A 426 -1.232 -9.942 2.211 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.424 -9.956 3.141 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.858 -9.946 0.942 1.00 0.00 N ATOM 0 H GLN A 426 -5.283 -9.050 1.015 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.859 -8.889 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.167 -8.034 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.685 -7.899 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.930 -10.402 3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.239 -10.468 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.561 -9.934 0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.133 -9.961 0.703 1.00 0.00 H new ATOM 659 N THR A 427 -4.685 -6.246 3.992 1.00 0.00 N ATOM 660 CA THR A 427 -4.936 -4.817 4.062 1.00 0.00 C ATOM 661 C THR A 427 -3.628 -4.043 4.169 1.00 0.00 C ATOM 662 O THR A 427 -3.629 -2.823 4.238 1.00 0.00 O ATOM 663 CB THR A 427 -5.862 -4.440 5.239 1.00 0.00 C ATOM 664 OG1 THR A 427 -5.351 -4.970 6.467 1.00 0.00 O ATOM 665 CG2 THR A 427 -7.275 -4.957 5.009 1.00 0.00 C ATOM 0 H THR A 427 -4.099 -6.614 4.741 1.00 0.00 H new ATOM 0 HA THR A 427 -5.445 -4.544 3.138 1.00 0.00 H new ATOM 0 HB THR A 427 -5.894 -3.352 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.912 -4.256 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.906 -4.678 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.678 -4.521 4.095 1.00 0.00 H new ATOM 0 HG23 THR A 427 -7.254 -6.043 4.915 1.00 0.00 H new ATOM 673 N THR A 428 -2.509 -4.755 4.157 1.00 0.00 N ATOM 674 CA THR A 428 -1.208 -4.109 4.217 1.00 0.00 C ATOM 675 C THR A 428 -0.326 -4.516 3.050 1.00 0.00 C ATOM 676 O THR A 428 -0.586 -5.500 2.356 1.00 0.00 O ATOM 677 CB THR A 428 -0.483 -4.390 5.546 1.00 0.00 C ATOM 678 OG1 THR A 428 0.878 -3.957 5.504 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.515 -5.848 5.881 1.00 0.00 C ATOM 0 H THR A 428 -2.477 -5.773 4.107 1.00 0.00 H new ATOM 0 HA THR A 428 -1.396 -3.037 4.153 1.00 0.00 H new ATOM 0 HB THR A 428 -1.012 -3.828 6.315 1.00 0.00 H new ATOM 0 HG1 THR A 428 1.460 -4.677 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.005 -6.016 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 428 -1.550 -6.178 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.023 -6.414 5.090 1.00 0.00 H new ATOM 687 N VAL A 429 0.712 -3.734 2.856 1.00 0.00 N ATOM 688 CA VAL A 429 1.638 -3.915 1.758 1.00 0.00 C ATOM 689 C VAL A 429 3.055 -3.916 2.292 1.00 0.00 C ATOM 690 O VAL A 429 3.380 -3.186 3.230 1.00 0.00 O ATOM 691 CB VAL A 429 1.526 -2.792 0.698 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.024 -3.274 -0.643 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.110 -2.269 0.569 1.00 0.00 C ATOM 0 H VAL A 429 0.940 -2.946 3.462 1.00 0.00 H new ATOM 0 HA VAL A 429 1.388 -4.863 1.282 1.00 0.00 H new ATOM 0 HB VAL A 429 2.153 -1.968 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.937 -2.470 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.068 -3.574 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.427 -4.126 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 429 0.080 -1.483 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.553 -3.082 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.217 -1.865 1.527 1.00 0.00 H new ATOM 703 N THR A 430 3.880 -4.753 1.710 1.00 0.00 N ATOM 704 CA THR A 430 5.286 -4.783 2.024 1.00 0.00 C ATOM 705 C THR A 430 6.056 -4.021 0.945 1.00 0.00 C ATOM 706 O THR A 430 5.742 -4.133 -0.232 1.00 0.00 O ATOM 707 CB THR A 430 5.770 -6.242 2.106 1.00 0.00 C ATOM 708 OG1 THR A 430 4.990 -6.945 3.083 1.00 0.00 O ATOM 709 CG2 THR A 430 7.244 -6.327 2.469 1.00 0.00 C ATOM 0 H THR A 430 3.594 -5.432 1.005 1.00 0.00 H new ATOM 0 HA THR A 430 5.461 -4.308 2.989 1.00 0.00 H new ATOM 0 HB THR A 430 5.644 -6.697 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.294 -7.875 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.547 -7.373 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.835 -5.812 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.408 -5.857 3.439 1.00 0.00 H new ATOM 717 N CYS A 431 7.015 -3.210 1.346 1.00 0.00 N ATOM 718 CA CYS A 431 7.841 -2.475 0.402 1.00 0.00 C ATOM 719 C CYS A 431 8.843 -3.396 -0.248 1.00 0.00 C ATOM 720 O CYS A 431 9.669 -3.989 0.439 1.00 0.00 O ATOM 721 CB CYS A 431 8.607 -1.355 1.102 1.00 0.00 C ATOM 722 SG CYS A 431 9.883 -0.590 0.054 1.00 0.00 S ATOM 0 H CYS A 431 7.244 -3.041 2.325 1.00 0.00 H new ATOM 0 HA CYS A 431 7.177 -2.050 -0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.902 -0.588 1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.076 -1.753 2.002 1.00 0.00 H new ATOM 727 N MET A 432 8.775 -3.515 -1.564 1.00 0.00 N ATOM 728 CA MET A 432 9.756 -4.270 -2.302 1.00 0.00 C ATOM 729 C MET A 432 9.910 -3.755 -3.711 1.00 0.00 C ATOM 730 O MET A 432 8.937 -3.441 -4.395 1.00 0.00 O ATOM 731 CB MET A 432 9.427 -5.743 -2.316 1.00 0.00 C ATOM 732 CG MET A 432 9.933 -6.460 -1.093 1.00 0.00 C ATOM 733 SD MET A 432 10.265 -8.207 -1.397 1.00 0.00 S ATOM 734 CE MET A 432 11.391 -8.109 -2.785 1.00 0.00 C ATOM 0 H MET A 432 8.045 -3.094 -2.139 1.00 0.00 H new ATOM 0 HA MET A 432 10.707 -4.138 -1.787 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.347 -5.870 -2.386 1.00 0.00 H new ATOM 0 HB3 MET A 432 9.860 -6.200 -3.206 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.846 -5.976 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.198 -6.368 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 432 12.086 -8.948 -2.750 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.825 -8.145 -3.716 1.00 0.00 H new ATOM 0 HE3 MET A 432 11.949 -7.174 -2.736 1.00 0.00 H new ATOM 744 N GLU A 433 11.165 -3.677 -4.099 1.00 0.00 N ATOM 745 CA GLU A 433 11.606 -3.172 -5.385 1.00 0.00 C ATOM 746 C GLU A 433 10.895 -1.876 -5.763 1.00 0.00 C ATOM 747 O GLU A 433 10.539 -1.656 -6.923 1.00 0.00 O ATOM 748 CB GLU A 433 11.457 -4.261 -6.423 1.00 0.00 C ATOM 749 CG GLU A 433 12.596 -5.265 -6.381 1.00 0.00 C ATOM 750 CD GLU A 433 12.224 -6.603 -6.978 1.00 0.00 C ATOM 751 OE1 GLU A 433 11.711 -6.632 -8.115 1.00 0.00 O ATOM 752 OE2 GLU A 433 12.455 -7.635 -6.311 1.00 0.00 O ATOM 0 H GLU A 433 11.938 -3.975 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 433 12.661 -2.906 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 433 10.512 -4.781 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.411 -3.810 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.452 -4.858 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 433 12.909 -5.409 -5.347 1.00 0.00 H new ATOM 759 N ASN A 434 10.694 -1.028 -4.739 1.00 0.00 N ATOM 760 CA ASN A 434 10.054 0.296 -4.871 1.00 0.00 C ATOM 761 C ASN A 434 8.559 0.188 -5.202 1.00 0.00 C ATOM 762 O ASN A 434 7.778 1.081 -4.882 1.00 0.00 O ATOM 763 CB ASN A 434 10.752 1.141 -5.948 1.00 0.00 C ATOM 764 CG ASN A 434 10.132 2.523 -6.115 1.00 0.00 C ATOM 765 OD1 ASN A 434 9.701 3.151 -5.149 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.063 2.995 -7.351 1.00 0.00 N ATOM 0 H ASN A 434 10.975 -1.245 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 434 10.155 0.785 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 434 11.805 1.250 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.710 0.613 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.642 3.907 -7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.431 2.446 -8.128 1.00 0.00 H new ATOM 773 N GLY A 435 8.157 -0.919 -5.800 1.00 0.00 N ATOM 774 CA GLY A 435 6.821 -1.011 -6.344 1.00 0.00 C ATOM 775 C GLY A 435 5.888 -1.798 -5.471 1.00 0.00 C ATOM 776 O GLY A 435 4.814 -2.202 -5.922 1.00 0.00 O ATOM 0 H GLY A 435 8.730 -1.754 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.421 -0.007 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 435 6.866 -1.475 -7.329 1.00 0.00 H new ATOM 780 N TRP A 436 6.281 -1.950 -4.210 1.00 0.00 N ATOM 781 CA TRP A 436 5.530 -2.679 -3.227 1.00 0.00 C ATOM 782 C TRP A 436 5.301 -4.149 -3.615 1.00 0.00 C ATOM 783 O TRP A 436 4.827 -4.459 -4.708 1.00 0.00 O ATOM 784 CB TRP A 436 4.238 -1.938 -3.017 1.00 0.00 C ATOM 785 CG TRP A 436 4.424 -0.561 -2.445 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.461 0.617 -3.141 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.605 -0.214 -1.068 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.650 1.669 -2.281 1.00 0.00 N ATOM 789 CE2 TRP A 436 4.741 1.186 -1.006 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.666 -0.949 0.118 1.00 0.00 C ATOM 791 CZ2 TRP A 436 4.932 1.861 0.191 1.00 0.00 C ATOM 792 CZ3 TRP A 436 4.854 -0.274 1.307 1.00 0.00 C ATOM 793 CH2 TRP A 436 4.987 1.118 1.335 1.00 0.00 C ATOM 0 H TRP A 436 7.150 -1.557 -3.848 1.00 0.00 H new ATOM 0 HA TRP A 436 6.096 -2.731 -2.297 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.714 -1.860 -3.970 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.600 -2.517 -2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.357 0.706 -4.212 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.712 2.651 -2.549 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.568 -2.024 0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.034 2.936 0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 4.899 -0.830 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.136 1.616 2.282 1.00 0.00 H new ATOM 804 N SER A 437 5.629 -5.043 -2.690 1.00 0.00 N ATOM 805 CA SER A 437 5.673 -6.480 -2.949 1.00 0.00 C ATOM 806 C SER A 437 4.398 -6.985 -3.632 1.00 0.00 C ATOM 807 O SER A 437 4.454 -7.438 -4.777 1.00 0.00 O ATOM 808 CB SER A 437 5.920 -7.245 -1.643 1.00 0.00 C ATOM 809 OG SER A 437 7.187 -7.003 -1.110 1.00 0.00 O ATOM 0 H SER A 437 5.874 -4.791 -1.732 1.00 0.00 H new ATOM 0 HA SER A 437 6.499 -6.663 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.162 -6.962 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.805 -8.314 -1.825 1.00 0.00 H new ATOM 0 HG SER A 437 7.295 -7.511 -0.279 1.00 0.00 H new ATOM 815 N PRO A 438 3.224 -6.915 -2.963 1.00 0.00 N ATOM 816 CA PRO A 438 1.977 -7.380 -3.555 1.00 0.00 C ATOM 817 C PRO A 438 1.283 -6.293 -4.370 1.00 0.00 C ATOM 818 O PRO A 438 0.292 -6.547 -5.062 1.00 0.00 O ATOM 819 CB PRO A 438 1.173 -7.742 -2.321 1.00 0.00 C ATOM 820 CG PRO A 438 1.541 -6.694 -1.339 1.00 0.00 C ATOM 821 CD PRO A 438 3.002 -6.421 -1.579 1.00 0.00 C ATOM 0 HA PRO A 438 2.110 -8.198 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.102 -7.740 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.426 -8.738 -1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.944 -5.793 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.367 -7.033 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.232 -5.359 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.632 -6.945 -0.860 1.00 0.00 H new ATOM 829 N THR A 439 1.840 -5.088 -4.269 1.00 0.00 N ATOM 830 CA THR A 439 1.352 -3.904 -4.970 1.00 0.00 C ATOM 831 C THR A 439 0.062 -3.360 -4.342 1.00 0.00 C ATOM 832 O THR A 439 -0.923 -4.079 -4.189 1.00 0.00 O ATOM 833 CB THR A 439 1.143 -4.186 -6.473 1.00 0.00 C ATOM 834 OG1 THR A 439 2.339 -4.761 -7.020 1.00 0.00 O ATOM 835 CG2 THR A 439 0.810 -2.910 -7.230 1.00 0.00 C ATOM 0 H THR A 439 2.658 -4.905 -3.687 1.00 0.00 H new ATOM 0 HA THR A 439 2.121 -3.138 -4.869 1.00 0.00 H new ATOM 0 HB THR A 439 0.308 -4.878 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.208 -4.943 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.668 -3.140 -8.286 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.105 -2.476 -6.827 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.628 -2.198 -7.120 1.00 0.00 H new ATOM 843 N PRO A 440 0.086 -2.078 -3.936 1.00 0.00 N ATOM 844 CA PRO A 440 -1.077 -1.397 -3.365 1.00 0.00 C ATOM 845 C PRO A 440 -2.224 -1.299 -4.369 1.00 0.00 C ATOM 846 O PRO A 440 -2.282 -0.373 -5.182 1.00 0.00 O ATOM 847 CB PRO A 440 -0.568 0.004 -3.008 1.00 0.00 C ATOM 848 CG PRO A 440 0.920 -0.030 -3.151 1.00 0.00 C ATOM 849 CD PRO A 440 1.266 -1.215 -4.001 1.00 0.00 C ATOM 0 HA PRO A 440 -1.473 -1.938 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.003 0.754 -3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.853 0.272 -1.991 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.282 0.890 -3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.397 -0.107 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.482 -0.917 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.152 -1.727 -3.625 1.00 0.00 H new ATOM 857 N ARG A 441 -3.118 -2.272 -4.318 1.00 0.00 N ATOM 858 CA ARG A 441 -4.250 -2.342 -5.232 1.00 0.00 C ATOM 859 C ARG A 441 -5.537 -2.563 -4.449 1.00 0.00 C ATOM 860 O ARG A 441 -5.751 -3.641 -3.903 1.00 0.00 O ATOM 861 CB ARG A 441 -4.068 -3.490 -6.237 1.00 0.00 C ATOM 862 CG ARG A 441 -2.838 -3.364 -7.124 1.00 0.00 C ATOM 863 CD ARG A 441 -2.888 -2.113 -7.986 1.00 0.00 C ATOM 864 NE ARG A 441 -4.055 -2.095 -8.865 1.00 0.00 N ATOM 865 CZ ARG A 441 -4.623 -0.979 -9.327 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.130 0.209 -8.998 1.00 0.00 N ATOM 867 NH2 ARG A 441 -5.671 -1.055 -10.135 1.00 0.00 N ATOM 0 H ARG A 441 -3.081 -3.036 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.306 -1.399 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.010 -4.430 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -4.953 -3.545 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -1.943 -3.341 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.760 -4.243 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.905 -1.232 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -1.981 -2.052 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.460 -2.989 -9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.314 0.272 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.568 1.059 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.043 -1.966 -10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.105 -0.202 -10.488 1.00 0.00 H new ATOM 881 N CYS A 442 -6.381 -1.542 -4.383 1.00 0.00 N ATOM 882 CA CYS A 442 -7.656 -1.656 -3.685 1.00 0.00 C ATOM 883 C CYS A 442 -8.652 -2.459 -4.516 1.00 0.00 C ATOM 884 O CYS A 442 -9.388 -1.909 -5.340 1.00 0.00 O ATOM 885 CB CYS A 442 -8.225 -0.273 -3.364 1.00 0.00 C ATOM 886 SG CYS A 442 -7.151 0.748 -2.300 1.00 0.00 S ATOM 0 H CYS A 442 -6.208 -0.629 -4.802 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.482 -2.182 -2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.404 0.260 -4.298 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.192 -0.395 -2.876 1.00 0.00 H new ATOM 891 N ILE A 443 -8.649 -3.764 -4.305 1.00 0.00 N ATOM 892 CA ILE A 443 -9.574 -4.660 -4.977 1.00 0.00 C ATOM 893 C ILE A 443 -10.858 -4.740 -4.170 1.00 0.00 C ATOM 894 O ILE A 443 -10.866 -4.431 -2.979 1.00 0.00 O ATOM 895 CB ILE A 443 -8.987 -6.078 -5.119 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.522 -6.009 -5.541 1.00 0.00 C ATOM 897 CG2 ILE A 443 -9.781 -6.887 -6.136 1.00 0.00 C ATOM 898 CD1 ILE A 443 -6.843 -7.358 -5.617 1.00 0.00 C ATOM 0 H ILE A 443 -8.007 -4.231 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.765 -4.266 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.053 -6.572 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.457 -5.525 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -6.980 -5.379 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.351 -7.885 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -10.818 -6.965 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -9.743 -6.390 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.805 -7.226 -5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -6.875 -7.837 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.359 -7.985 -6.344 1.00 0.00 H new ATOM 910 N ARG A 444 -11.933 -5.151 -4.810 1.00 0.00 N ATOM 911 CA ARG A 444 -13.215 -5.230 -4.146 1.00 0.00 C ATOM 912 C ARG A 444 -13.304 -6.501 -3.323 1.00 0.00 C ATOM 913 O ARG A 444 -13.214 -7.611 -3.849 1.00 0.00 O ATOM 914 CB ARG A 444 -14.352 -5.157 -5.161 1.00 0.00 C ATOM 915 CG ARG A 444 -15.693 -4.868 -4.523 1.00 0.00 C ATOM 916 CD ARG A 444 -16.777 -4.641 -5.564 1.00 0.00 C ATOM 917 NE ARG A 444 -16.494 -3.477 -6.405 1.00 0.00 N ATOM 918 CZ ARG A 444 -17.331 -3.000 -7.324 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.525 -3.548 -7.493 1.00 0.00 N ATOM 920 NH2 ARG A 444 -16.979 -1.955 -8.057 1.00 0.00 N ATOM 0 H ARG A 444 -11.943 -5.435 -5.790 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.311 -4.378 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.129 -4.381 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.409 -6.101 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.976 -5.701 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.610 -3.987 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.869 -5.528 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.736 -4.503 -5.065 1.00 0.00 H new ATOM 0 HE ARG A 444 -15.600 -3.002 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.808 -4.341 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.161 -3.177 -8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -16.068 -1.517 -7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.618 -1.588 -8.762 1.00 0.00 H new ATOM 934 N VAL A 445 -13.492 -6.316 -2.030 1.00 0.00 N ATOM 935 CA VAL A 445 -13.439 -7.408 -1.075 1.00 0.00 C ATOM 936 C VAL A 445 -14.849 -7.768 -0.584 1.00 0.00 C ATOM 937 O VAL A 445 -15.106 -7.934 0.608 1.00 0.00 O ATOM 938 CB VAL A 445 -12.509 -7.028 0.101 1.00 0.00 C ATOM 939 CG1 VAL A 445 -13.103 -5.899 0.931 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.177 -8.239 0.965 1.00 0.00 C ATOM 0 H VAL A 445 -13.686 -5.406 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.030 -8.292 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 445 -11.573 -6.667 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.426 -5.654 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.244 -5.020 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.065 -6.213 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.522 -7.935 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.097 -8.657 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.675 -8.992 0.358 1.00 0.00 H new