USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=11 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 Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc=-0.00442 X(o=-0.0044,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -1.11! X(o=-1.1!,f=-1.3) USER MOD Single : A 400 GLN : amide:sc= 0.507 K(o=0.51,f=-4.1!) USER MOD Single : A 401 ASN : amide:sc= 0.00822 K(o=0.0082,f=-2.5) 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= -3.06! K(o=-3.1!,f=-0.7) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 417 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=0) 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= -1.16 K(o=-1.2,f=0) USER MOD Single : A 427 THR OG1 : rot 120:sc= 1.24 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.11) USER MOD Single : A 437 SER OG : rot -130:sc= -4.49! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.850 -0.976 -1.418 1.00 0.00 N ATOM 21 CA ARG A 387 15.167 0.015 -2.242 1.00 0.00 C ATOM 22 C ARG A 387 14.372 0.988 -1.394 1.00 0.00 C ATOM 23 O ARG A 387 14.198 0.789 -0.196 1.00 0.00 O ATOM 24 CB ARG A 387 14.220 -0.657 -3.228 1.00 0.00 C ATOM 25 CG ARG A 387 14.871 -1.751 -4.037 1.00 0.00 C ATOM 26 CD ARG A 387 15.841 -1.218 -5.075 1.00 0.00 C ATOM 27 NE ARG A 387 16.435 -2.307 -5.849 1.00 0.00 N ATOM 28 CZ ARG A 387 17.570 -2.202 -6.542 1.00 0.00 C ATOM 29 NH1 ARG A 387 18.272 -1.078 -6.509 1.00 0.00 N ATOM 30 NH2 ARG A 387 18.018 -3.232 -7.251 1.00 0.00 N ATOM 0 HA ARG A 387 15.939 0.560 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.375 -1.075 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.820 0.097 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.400 -2.427 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.098 -2.337 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 387 15.321 -0.533 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 387 16.628 -0.647 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 387 15.950 -3.205 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 387 17.945 -0.289 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 387 19.139 -1.003 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.494 -4.107 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 387 18.886 -3.148 -7.780 1.00 0.00 H new ATOM 44 N LYS A 388 13.872 2.023 -2.044 1.00 0.00 N ATOM 45 CA LYS A 388 13.096 3.058 -1.383 1.00 0.00 C ATOM 46 C LYS A 388 11.732 3.220 -2.050 1.00 0.00 C ATOM 47 O LYS A 388 11.527 4.139 -2.844 1.00 0.00 O ATOM 48 CB LYS A 388 13.820 4.405 -1.423 1.00 0.00 C ATOM 49 CG LYS A 388 15.110 4.489 -0.607 1.00 0.00 C ATOM 50 CD LYS A 388 16.238 3.684 -1.234 1.00 0.00 C ATOM 51 CE LYS A 388 17.546 3.857 -0.481 1.00 0.00 C ATOM 52 NZ LYS A 388 18.192 5.165 -0.769 1.00 0.00 N ATOM 0 H LYS A 388 13.992 2.170 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 388 12.967 2.748 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.053 4.641 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.136 5.175 -1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.415 5.532 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.924 4.125 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.965 2.629 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.372 3.994 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.360 3.774 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 388 18.228 3.050 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 19.081 5.239 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 18.394 5.236 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.554 5.937 -0.488 1.00 0.00 H new ATOM 66 N CYS A 389 10.813 2.328 -1.720 1.00 0.00 N ATOM 67 CA CYS A 389 9.462 2.358 -2.275 1.00 0.00 C ATOM 68 C CYS A 389 8.755 3.668 -1.939 1.00 0.00 C ATOM 69 O CYS A 389 8.665 4.048 -0.771 1.00 0.00 O ATOM 70 CB CYS A 389 8.627 1.203 -1.716 1.00 0.00 C ATOM 71 SG CYS A 389 9.442 -0.424 -1.761 1.00 0.00 S ATOM 0 H CYS A 389 10.977 1.565 -1.064 1.00 0.00 H new ATOM 0 HA CYS A 389 9.556 2.264 -3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.362 1.432 -0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.695 1.142 -2.278 1.00 0.00 H new ATOM 76 N TYR A 390 8.256 4.352 -2.957 1.00 0.00 N ATOM 77 CA TYR A 390 7.429 5.531 -2.746 1.00 0.00 C ATOM 78 C TYR A 390 5.968 5.109 -2.661 1.00 0.00 C ATOM 79 O TYR A 390 5.473 4.394 -3.533 1.00 0.00 O ATOM 80 CB TYR A 390 7.627 6.541 -3.883 1.00 0.00 C ATOM 81 CG TYR A 390 6.763 7.781 -3.764 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.143 8.841 -2.952 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.569 7.890 -4.469 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.356 9.972 -2.839 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.778 9.017 -4.364 1.00 0.00 C ATOM 86 CZ TYR A 390 5.174 10.055 -3.549 1.00 0.00 C ATOM 87 OH TYR A 390 4.383 11.178 -3.439 1.00 0.00 O ATOM 0 H TYR A 390 8.409 4.112 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 390 7.723 6.012 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.674 6.842 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.412 6.051 -4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.069 8.781 -2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.255 7.079 -5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.664 10.786 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.853 9.085 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 390 3.589 11.075 -4.004 1.00 0.00 H new ATOM 97 N PHE A 391 5.288 5.524 -1.604 1.00 0.00 N ATOM 98 CA PHE A 391 3.892 5.162 -1.414 1.00 0.00 C ATOM 99 C PHE A 391 2.993 6.085 -2.234 1.00 0.00 C ATOM 100 O PHE A 391 2.886 7.281 -1.944 1.00 0.00 O ATOM 101 CB PHE A 391 3.519 5.232 0.067 1.00 0.00 C ATOM 102 CG PHE A 391 2.398 4.306 0.449 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.120 4.485 -0.050 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.629 3.258 1.323 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.096 3.630 0.308 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.611 2.400 1.684 1.00 0.00 C ATOM 107 CZ PHE A 391 0.340 2.588 1.180 1.00 0.00 C ATOM 0 H PHE A 391 5.679 6.110 -0.866 1.00 0.00 H new ATOM 0 HA PHE A 391 3.747 4.138 -1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.397 4.992 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.234 6.255 0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.921 5.302 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.619 3.110 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -0.896 3.777 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.808 1.582 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.461 1.922 1.467 1.00 0.00 H new ATOM 117 N PRO A 392 2.343 5.533 -3.271 1.00 0.00 N ATOM 118 CA PRO A 392 1.513 6.298 -4.192 1.00 0.00 C ATOM 119 C PRO A 392 0.055 6.412 -3.739 1.00 0.00 C ATOM 120 O PRO A 392 -0.281 6.115 -2.590 1.00 0.00 O ATOM 121 CB PRO A 392 1.611 5.475 -5.470 1.00 0.00 C ATOM 122 CG PRO A 392 1.739 4.061 -5.003 1.00 0.00 C ATOM 123 CD PRO A 392 2.373 4.105 -3.632 1.00 0.00 C ATOM 0 HA PRO A 392 1.845 7.332 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.728 5.607 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.472 5.774 -6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.762 3.579 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 392 2.352 3.481 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.817 3.500 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.392 3.719 -3.651 1.00 0.00 H new ATOM 131 N TYR A 393 -0.800 6.851 -4.654 1.00 0.00 N ATOM 132 CA TYR A 393 -2.210 7.040 -4.363 1.00 0.00 C ATOM 133 C TYR A 393 -2.951 5.711 -4.369 1.00 0.00 C ATOM 134 O TYR A 393 -2.760 4.881 -5.258 1.00 0.00 O ATOM 135 CB TYR A 393 -2.831 8.000 -5.382 1.00 0.00 C ATOM 136 CG TYR A 393 -4.335 8.115 -5.293 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.949 8.687 -4.187 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.141 7.658 -6.326 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.323 8.802 -4.115 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.516 7.768 -6.262 1.00 0.00 C ATOM 141 CZ TYR A 393 -7.102 8.339 -5.155 1.00 0.00 C ATOM 142 OH TYR A 393 -8.471 8.460 -5.090 1.00 0.00 O ATOM 0 H TYR A 393 -0.535 7.084 -5.611 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.300 7.472 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.394 8.989 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.562 7.669 -6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.342 9.048 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.685 7.208 -7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.785 9.252 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.128 7.408 -7.076 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.871 8.086 -5.903 1.00 0.00 H new ATOM 152 N LEU A 394 -3.790 5.514 -3.366 1.00 0.00 N ATOM 153 CA LEU A 394 -4.603 4.316 -3.277 1.00 0.00 C ATOM 154 C LEU A 394 -5.881 4.508 -4.066 1.00 0.00 C ATOM 155 O LEU A 394 -6.763 5.266 -3.657 1.00 0.00 O ATOM 156 CB LEU A 394 -4.954 3.970 -1.819 1.00 0.00 C ATOM 157 CG LEU A 394 -3.778 3.653 -0.887 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.836 2.644 -1.529 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.039 4.921 -0.489 1.00 0.00 C ATOM 0 H LEU A 394 -3.925 6.173 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.023 3.491 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.509 4.806 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.625 3.111 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.178 3.205 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.010 2.434 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.378 1.721 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.445 3.053 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.210 4.667 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.653 5.413 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.723 5.593 0.029 1.00 0.00 H new ATOM 171 N GLU A 395 -5.970 3.852 -5.206 1.00 0.00 N ATOM 172 CA GLU A 395 -7.182 3.892 -5.998 1.00 0.00 C ATOM 173 C GLU A 395 -8.329 3.256 -5.209 1.00 0.00 C ATOM 174 O GLU A 395 -8.275 2.076 -4.875 1.00 0.00 O ATOM 175 CB GLU A 395 -6.971 3.173 -7.338 1.00 0.00 C ATOM 176 CG GLU A 395 -6.588 1.704 -7.204 1.00 0.00 C ATOM 177 CD GLU A 395 -6.373 1.023 -8.539 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.357 0.523 -9.129 1.00 0.00 O ATOM 179 OE2 GLU A 395 -5.217 0.966 -9.000 1.00 0.00 O ATOM 0 H GLU A 395 -5.220 3.287 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.438 4.929 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.886 3.246 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -6.191 3.691 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -5.677 1.625 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.371 1.179 -6.657 1.00 0.00 H new ATOM 186 N ASN A 396 -9.348 4.057 -4.900 1.00 0.00 N ATOM 187 CA ASN A 396 -10.467 3.627 -4.049 1.00 0.00 C ATOM 188 C ASN A 396 -9.995 3.435 -2.606 1.00 0.00 C ATOM 189 O ASN A 396 -10.592 2.676 -1.837 1.00 0.00 O ATOM 190 CB ASN A 396 -11.122 2.329 -4.558 1.00 0.00 C ATOM 191 CG ASN A 396 -11.647 2.433 -5.978 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.783 2.852 -6.204 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.832 2.026 -6.940 1.00 0.00 N ATOM 0 H ASN A 396 -9.425 5.019 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.219 4.415 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -10.394 1.519 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.944 2.061 -3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.138 2.053 -7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.899 1.686 -6.708 1.00 0.00 H new ATOM 200 N GLY A 397 -8.929 4.132 -2.237 1.00 0.00 N ATOM 201 CA GLY A 397 -8.380 4.002 -0.902 1.00 0.00 C ATOM 202 C GLY A 397 -8.030 5.337 -0.290 1.00 0.00 C ATOM 203 O GLY A 397 -8.161 6.375 -0.938 1.00 0.00 O ATOM 0 H GLY A 397 -8.433 4.788 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.101 3.491 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.488 3.377 -0.939 1.00 0.00 H new ATOM 207 N TYR A 398 -7.597 5.314 0.962 1.00 0.00 N ATOM 208 CA TYR A 398 -7.209 6.529 1.649 1.00 0.00 C ATOM 209 C TYR A 398 -5.699 6.692 1.627 1.00 0.00 C ATOM 210 O TYR A 398 -4.957 5.840 2.117 1.00 0.00 O ATOM 211 CB TYR A 398 -7.732 6.512 3.084 1.00 0.00 C ATOM 212 CG TYR A 398 -9.232 6.652 3.159 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.833 7.899 3.062 1.00 0.00 C ATOM 214 CD2 TYR A 398 -10.050 5.538 3.308 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.204 8.034 3.105 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.425 5.665 3.357 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.996 6.916 3.255 1.00 0.00 C ATOM 218 OH TYR A 398 -13.365 7.050 3.287 1.00 0.00 O ATOM 0 H TYR A 398 -7.507 4.465 1.520 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.650 7.381 1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.434 5.580 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.267 7.322 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.216 8.779 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.604 4.558 3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.656 9.011 3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -12.048 4.791 3.474 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.778 6.168 3.397 1.00 0.00 H new ATOM 228 N ASN A 399 -5.250 7.794 1.053 1.00 0.00 N ATOM 229 CA ASN A 399 -3.827 8.058 0.896 1.00 0.00 C ATOM 230 C ASN A 399 -3.200 8.571 2.191 1.00 0.00 C ATOM 231 O ASN A 399 -2.623 9.656 2.235 1.00 0.00 O ATOM 232 CB ASN A 399 -3.584 9.035 -0.263 1.00 0.00 C ATOM 233 CG ASN A 399 -4.543 10.210 -0.288 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.941 10.741 0.749 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.950 10.599 -1.483 1.00 0.00 N ATOM 0 H ASN A 399 -5.855 8.528 0.684 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.339 7.113 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.564 9.413 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.665 8.493 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.618 11.365 -1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -4.597 10.133 -2.319 1.00 0.00 H new ATOM 242 N GLN A 400 -3.296 7.752 3.230 1.00 0.00 N ATOM 243 CA GLN A 400 -2.748 8.075 4.540 1.00 0.00 C ATOM 244 C GLN A 400 -1.227 8.047 4.514 1.00 0.00 C ATOM 245 O GLN A 400 -0.567 8.753 5.272 1.00 0.00 O ATOM 246 CB GLN A 400 -3.252 7.062 5.565 1.00 0.00 C ATOM 247 CG GLN A 400 -4.761 6.907 5.585 1.00 0.00 C ATOM 248 CD GLN A 400 -5.200 5.701 6.390 1.00 0.00 C ATOM 249 OE1 GLN A 400 -5.307 4.599 5.857 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.450 5.897 7.674 1.00 0.00 N ATOM 0 H GLN A 400 -3.757 6.843 3.188 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.074 9.079 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.800 6.093 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.914 7.364 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.212 7.806 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.129 6.814 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.349 6.829 8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.744 5.117 8.261 1.00 0.00 H new ATOM 259 N ASN A 401 -0.674 7.224 3.634 1.00 0.00 N ATOM 260 CA ASN A 401 0.771 7.043 3.569 1.00 0.00 C ATOM 261 C ASN A 401 1.341 7.619 2.280 1.00 0.00 C ATOM 262 O ASN A 401 2.520 7.447 1.985 1.00 0.00 O ATOM 263 CB ASN A 401 1.134 5.558 3.681 1.00 0.00 C ATOM 264 CG ASN A 401 0.822 4.973 5.047 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.655 5.012 5.952 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.371 4.412 5.197 1.00 0.00 N ATOM 0 H ASN A 401 -1.201 6.672 2.957 1.00 0.00 H new ATOM 0 HA ASN A 401 1.209 7.581 4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.591 4.998 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.196 5.432 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.628 3.991 6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.031 4.402 4.420 1.00 0.00 H new ATOM 273 N TYR A 402 0.505 8.310 1.518 1.00 0.00 N ATOM 274 CA TYR A 402 0.933 8.892 0.254 1.00 0.00 C ATOM 275 C TYR A 402 2.001 9.953 0.493 1.00 0.00 C ATOM 276 O TYR A 402 1.817 10.875 1.292 1.00 0.00 O ATOM 277 CB TYR A 402 -0.266 9.483 -0.488 1.00 0.00 C ATOM 278 CG TYR A 402 0.080 10.221 -1.763 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.256 9.535 -2.954 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.214 11.602 -1.776 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.554 10.201 -4.125 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.508 12.277 -2.943 1.00 0.00 C ATOM 283 CZ TYR A 402 0.681 11.571 -4.116 1.00 0.00 C ATOM 284 OH TYR A 402 0.964 12.239 -5.284 1.00 0.00 O ATOM 0 H TYR A 402 -0.473 8.481 1.753 1.00 0.00 H new ATOM 0 HA TYR A 402 1.367 8.107 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.961 8.678 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.789 10.167 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.158 8.460 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 402 0.086 12.157 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 402 0.687 9.650 -5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.602 13.353 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 402 1.019 13.201 -5.105 1.00 0.00 H new ATOM 294 N GLY A 403 3.124 9.797 -0.185 1.00 0.00 N ATOM 295 CA GLY A 403 4.223 10.722 -0.022 1.00 0.00 C ATOM 296 C GLY A 403 5.307 10.157 0.867 1.00 0.00 C ATOM 297 O GLY A 403 6.359 10.771 1.044 1.00 0.00 O ATOM 0 H GLY A 403 3.295 9.042 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.643 10.963 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.853 11.654 0.404 1.00 0.00 H new ATOM 301 N ARG A 404 5.047 8.987 1.435 1.00 0.00 N ATOM 302 CA ARG A 404 6.021 8.319 2.282 1.00 0.00 C ATOM 303 C ARG A 404 6.889 7.380 1.470 1.00 0.00 C ATOM 304 O ARG A 404 6.455 6.834 0.455 1.00 0.00 O ATOM 305 CB ARG A 404 5.329 7.530 3.389 1.00 0.00 C ATOM 306 CG ARG A 404 4.686 8.402 4.445 1.00 0.00 C ATOM 307 CD ARG A 404 4.007 7.566 5.518 1.00 0.00 C ATOM 308 NE ARG A 404 3.488 8.389 6.609 1.00 0.00 N ATOM 309 CZ ARG A 404 3.031 7.902 7.765 1.00 0.00 C ATOM 310 NH1 ARG A 404 2.961 6.591 7.957 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.628 8.728 8.720 1.00 0.00 N ATOM 0 H ARG A 404 4.168 8.482 1.323 1.00 0.00 H new ATOM 0 HA ARG A 404 6.648 9.090 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.567 6.890 2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.057 6.874 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.443 9.039 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.954 9.061 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.190 6.999 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.718 6.842 5.917 1.00 0.00 H new ATOM 0 HE ARG A 404 3.474 9.401 6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.257 5.951 7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.611 6.223 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.667 9.736 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.279 8.355 9.603 1.00 0.00 H new ATOM 325 N LYS A 405 8.115 7.201 1.916 1.00 0.00 N ATOM 326 CA LYS A 405 9.025 6.276 1.296 1.00 0.00 C ATOM 327 C LYS A 405 9.582 5.318 2.329 1.00 0.00 C ATOM 328 O LYS A 405 9.952 5.721 3.434 1.00 0.00 O ATOM 329 CB LYS A 405 10.145 7.036 0.608 1.00 0.00 C ATOM 330 CG LYS A 405 9.659 7.884 -0.552 1.00 0.00 C ATOM 331 CD LYS A 405 10.798 8.615 -1.238 1.00 0.00 C ATOM 332 CE LYS A 405 11.724 7.652 -1.958 1.00 0.00 C ATOM 333 NZ LYS A 405 12.818 8.365 -2.664 1.00 0.00 N ATOM 0 H LYS A 405 8.504 7.695 2.719 1.00 0.00 H new ATOM 0 HA LYS A 405 8.488 5.695 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.643 7.677 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.889 6.327 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.147 7.249 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.929 8.608 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.393 9.334 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.364 9.183 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.150 6.952 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.151 7.064 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.430 7.674 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.412 9.015 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.380 8.906 -1.976 1.00 0.00 H new ATOM 347 N PHE A 406 9.637 4.057 1.960 1.00 0.00 N ATOM 348 CA PHE A 406 10.052 3.001 2.871 1.00 0.00 C ATOM 349 C PHE A 406 11.171 2.190 2.242 1.00 0.00 C ATOM 350 O PHE A 406 11.285 2.120 1.023 1.00 0.00 O ATOM 351 CB PHE A 406 8.872 2.078 3.208 1.00 0.00 C ATOM 352 CG PHE A 406 7.743 2.750 3.944 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.750 3.425 3.253 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.674 2.697 5.327 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.708 4.033 3.925 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.635 3.306 6.005 1.00 0.00 C ATOM 357 CZ PHE A 406 5.651 3.975 5.303 1.00 0.00 C ATOM 0 H PHE A 406 9.397 3.731 1.024 1.00 0.00 H new ATOM 0 HA PHE A 406 10.408 3.461 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.483 1.653 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.238 1.247 3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.791 3.476 2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.440 2.174 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.939 4.553 3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.592 3.259 7.083 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.839 4.452 5.831 1.00 0.00 H new ATOM 367 N VAL A 407 11.999 1.587 3.077 1.00 0.00 N ATOM 368 CA VAL A 407 13.076 0.743 2.594 1.00 0.00 C ATOM 369 C VAL A 407 12.565 -0.676 2.387 1.00 0.00 C ATOM 370 O VAL A 407 11.683 -1.135 3.116 1.00 0.00 O ATOM 371 CB VAL A 407 14.274 0.746 3.568 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.865 2.146 3.659 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.861 0.251 4.949 1.00 0.00 C ATOM 0 H VAL A 407 11.946 1.667 4.092 1.00 0.00 H new ATOM 0 HA VAL A 407 13.423 1.144 1.642 1.00 0.00 H new ATOM 0 HB VAL A 407 15.032 0.064 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.710 2.140 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.203 2.463 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.106 2.839 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.725 0.264 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.084 0.901 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.478 -0.767 4.871 1.00 0.00 H new ATOM 383 N GLN A 408 13.084 -1.350 1.365 1.00 0.00 N ATOM 384 CA GLN A 408 12.626 -2.693 1.029 1.00 0.00 C ATOM 385 C GLN A 408 12.790 -3.635 2.213 1.00 0.00 C ATOM 386 O GLN A 408 13.848 -3.691 2.840 1.00 0.00 O ATOM 387 CB GLN A 408 13.366 -3.256 -0.192 1.00 0.00 C ATOM 388 CG GLN A 408 12.993 -4.702 -0.501 1.00 0.00 C ATOM 389 CD GLN A 408 13.847 -5.331 -1.582 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.119 -6.524 -1.540 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.240 -4.552 -2.577 1.00 0.00 N ATOM 0 H GLN A 408 13.819 -0.989 0.757 1.00 0.00 H new ATOM 0 HA GLN A 408 11.568 -2.617 0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.145 -2.636 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.440 -3.193 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.081 -5.294 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.948 -4.741 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.994 -3.562 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.789 -4.941 -3.343 1.00 0.00 H new ATOM 400 N GLY A 409 11.735 -4.376 2.498 1.00 0.00 N ATOM 401 CA GLY A 409 11.732 -5.260 3.641 1.00 0.00 C ATOM 402 C GLY A 409 10.856 -4.712 4.737 1.00 0.00 C ATOM 403 O GLY A 409 10.894 -5.172 5.878 1.00 0.00 O ATOM 0 H GLY A 409 10.873 -4.381 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.376 -6.246 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.749 -5.387 4.011 1.00 0.00 H new ATOM 407 N LYS A 410 10.067 -3.711 4.380 1.00 0.00 N ATOM 408 CA LYS A 410 9.188 -3.045 5.310 1.00 0.00 C ATOM 409 C LYS A 410 7.738 -3.273 4.928 1.00 0.00 C ATOM 410 O LYS A 410 7.433 -3.524 3.767 1.00 0.00 O ATOM 411 CB LYS A 410 9.485 -1.552 5.316 1.00 0.00 C ATOM 412 CG LYS A 410 10.610 -1.144 6.250 1.00 0.00 C ATOM 413 CD LYS A 410 10.315 -1.541 7.686 1.00 0.00 C ATOM 414 CE LYS A 410 11.411 -1.071 8.627 1.00 0.00 C ATOM 415 NZ LYS A 410 11.129 -1.441 10.034 1.00 0.00 N ATOM 0 H LYS A 410 10.023 -3.341 3.431 1.00 0.00 H new ATOM 0 HA LYS A 410 9.357 -3.456 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.738 -1.239 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.580 -1.014 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.540 -1.611 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.758 -0.066 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.361 -1.114 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.216 -2.624 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.363 -1.506 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.516 0.011 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 11.901 -1.102 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 10.234 -1.006 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.055 -2.475 10.113 1.00 0.00 H new ATOM 429 N SER A 411 6.851 -3.174 5.897 1.00 0.00 N ATOM 430 CA SER A 411 5.430 -3.318 5.643 1.00 0.00 C ATOM 431 C SER A 411 4.668 -2.189 6.313 1.00 0.00 C ATOM 432 O SER A 411 5.187 -1.529 7.216 1.00 0.00 O ATOM 433 CB SER A 411 4.937 -4.676 6.147 1.00 0.00 C ATOM 434 OG SER A 411 3.542 -4.841 5.955 1.00 0.00 O ATOM 0 H SER A 411 7.089 -2.994 6.872 1.00 0.00 H new ATOM 0 HA SER A 411 5.254 -3.267 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.471 -5.471 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.171 -4.776 7.207 1.00 0.00 H new ATOM 0 HG SER A 411 3.268 -5.721 6.288 1.00 0.00 H new ATOM 440 N ILE A 412 3.445 -1.976 5.865 1.00 0.00 N ATOM 441 CA ILE A 412 2.605 -0.907 6.379 1.00 0.00 C ATOM 442 C ILE A 412 1.149 -1.159 6.016 1.00 0.00 C ATOM 443 O ILE A 412 0.830 -1.614 4.915 1.00 0.00 O ATOM 444 CB ILE A 412 3.063 0.478 5.854 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.209 1.603 6.452 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.025 0.527 4.333 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.336 1.736 7.955 1.00 0.00 C ATOM 0 H ILE A 412 3.005 -2.537 5.136 1.00 0.00 H new ATOM 0 HA ILE A 412 2.702 -0.898 7.465 1.00 0.00 H new ATOM 0 HB ILE A 412 4.095 0.628 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.493 2.548 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.164 1.426 6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.351 1.510 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.689 -0.236 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.007 0.343 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.703 2.552 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.023 0.806 8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.374 1.945 8.215 1.00 0.00 H new ATOM 459 N ASP A 413 0.284 -0.900 6.977 1.00 0.00 N ATOM 460 CA ASP A 413 -1.146 -1.087 6.809 1.00 0.00 C ATOM 461 C ASP A 413 -1.773 0.188 6.261 1.00 0.00 C ATOM 462 O ASP A 413 -1.433 1.292 6.692 1.00 0.00 O ATOM 463 CB ASP A 413 -1.763 -1.441 8.159 1.00 0.00 C ATOM 464 CG ASP A 413 -3.229 -1.829 8.079 1.00 0.00 C ATOM 465 OD1 ASP A 413 -4.094 -0.928 7.997 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.527 -3.045 8.139 1.00 0.00 O ATOM 0 H ASP A 413 0.552 -0.553 7.898 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.332 -1.896 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.202 -2.265 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.658 -0.589 8.831 1.00 0.00 H new ATOM 471 N VAL A 414 -2.672 0.033 5.307 1.00 0.00 N ATOM 472 CA VAL A 414 -3.341 1.166 4.688 1.00 0.00 C ATOM 473 C VAL A 414 -4.840 0.901 4.580 1.00 0.00 C ATOM 474 O VAL A 414 -5.264 -0.211 4.257 1.00 0.00 O ATOM 475 CB VAL A 414 -2.744 1.481 3.300 1.00 0.00 C ATOM 476 CG1 VAL A 414 -2.898 0.296 2.374 1.00 0.00 C ATOM 477 CG2 VAL A 414 -3.381 2.726 2.700 1.00 0.00 C ATOM 0 H VAL A 414 -2.959 -0.874 4.940 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.183 2.038 5.322 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.680 1.680 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.471 0.537 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.378 -0.565 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.956 0.060 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.942 2.924 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -4.454 2.569 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.204 3.578 3.357 1.00 0.00 H new ATOM 487 N ALA A 415 -5.642 1.908 4.884 1.00 0.00 N ATOM 488 CA ALA A 415 -7.084 1.756 4.857 1.00 0.00 C ATOM 489 C ALA A 415 -7.668 2.254 3.546 1.00 0.00 C ATOM 490 O ALA A 415 -7.521 3.422 3.183 1.00 0.00 O ATOM 491 CB ALA A 415 -7.719 2.485 6.028 1.00 0.00 C ATOM 0 H ALA A 415 -5.318 2.837 5.152 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.307 0.693 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.801 2.360 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.338 2.074 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.474 3.546 5.972 1.00 0.00 H new ATOM 497 N CYS A 416 -8.306 1.356 2.823 1.00 0.00 N ATOM 498 CA CYS A 416 -9.036 1.727 1.626 1.00 0.00 C ATOM 499 C CYS A 416 -10.468 2.089 1.993 1.00 0.00 C ATOM 500 O CYS A 416 -10.807 2.125 3.173 1.00 0.00 O ATOM 501 CB CYS A 416 -8.999 0.579 0.622 1.00 0.00 C ATOM 502 SG CYS A 416 -7.307 0.034 0.238 1.00 0.00 S ATOM 0 H CYS A 416 -8.334 0.361 3.044 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.569 2.597 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.566 -0.263 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.493 0.891 -0.298 1.00 0.00 H new ATOM 507 N HIS A 417 -11.311 2.376 1.006 1.00 0.00 N ATOM 508 CA HIS A 417 -12.710 2.646 1.306 1.00 0.00 C ATOM 509 C HIS A 417 -13.341 1.387 1.875 1.00 0.00 C ATOM 510 O HIS A 417 -12.899 0.273 1.577 1.00 0.00 O ATOM 511 CB HIS A 417 -13.509 3.090 0.075 1.00 0.00 C ATOM 512 CG HIS A 417 -13.023 4.347 -0.587 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.597 4.855 -1.734 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.022 5.200 -0.264 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.970 5.961 -2.088 1.00 0.00 C ATOM 516 NE2 HIS A 417 -12.010 6.191 -1.211 1.00 0.00 N ATOM 0 H HIS A 417 -11.059 2.427 0.019 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.737 3.466 2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.493 2.284 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.549 3.233 0.369 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.357 5.115 0.583 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -13.202 6.573 -2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.363 6.979 -1.234 1.00 0.00 H new ATOM 525 N PRO A 418 -14.367 1.555 2.709 1.00 0.00 N ATOM 526 CA PRO A 418 -15.083 0.444 3.330 1.00 0.00 C ATOM 527 C PRO A 418 -15.665 -0.491 2.294 1.00 0.00 C ATOM 528 O PRO A 418 -16.683 -0.193 1.665 1.00 0.00 O ATOM 529 CB PRO A 418 -16.197 1.125 4.115 1.00 0.00 C ATOM 530 CG PRO A 418 -15.710 2.509 4.328 1.00 0.00 C ATOM 531 CD PRO A 418 -14.922 2.848 3.103 1.00 0.00 C ATOM 0 HA PRO A 418 -14.431 -0.170 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.136 1.116 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.381 0.619 5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.541 3.201 4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.091 2.574 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.552 3.273 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.140 3.577 3.314 1.00 0.00 H new ATOM 539 N GLY A 419 -15.004 -1.613 2.120 1.00 0.00 N ATOM 540 CA GLY A 419 -15.403 -2.557 1.103 1.00 0.00 C ATOM 541 C GLY A 419 -14.264 -2.935 0.183 1.00 0.00 C ATOM 542 O GLY A 419 -14.397 -3.863 -0.622 1.00 0.00 O ATOM 0 H GLY A 419 -14.190 -1.893 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.794 -3.456 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.215 -2.130 0.514 1.00 0.00 H new ATOM 546 N TYR A 420 -13.140 -2.221 0.285 1.00 0.00 N ATOM 547 CA TYR A 420 -11.980 -2.541 -0.538 1.00 0.00 C ATOM 548 C TYR A 420 -10.758 -2.907 0.271 1.00 0.00 C ATOM 549 O TYR A 420 -10.653 -2.581 1.457 1.00 0.00 O ATOM 550 CB TYR A 420 -11.614 -1.441 -1.510 1.00 0.00 C ATOM 551 CG TYR A 420 -12.718 -1.104 -2.473 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.148 -2.050 -3.380 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.317 0.144 -2.486 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.141 -1.779 -4.278 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.324 0.434 -3.384 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.734 -0.531 -4.283 1.00 0.00 C ATOM 557 OH TYR A 420 -15.731 -0.243 -5.186 1.00 0.00 O ATOM 0 H TYR A 420 -13.013 -1.432 0.919 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.297 -3.416 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.345 -0.546 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.730 -1.742 -2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.689 -3.028 -3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -12.993 0.899 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.461 -2.535 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.788 1.409 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.038 0.678 -5.051 1.00 0.00 H new ATOM 567 N ALA A 421 -9.831 -3.597 -0.394 1.00 0.00 N ATOM 568 CA ALA A 421 -8.642 -4.099 0.253 1.00 0.00 C ATOM 569 C ALA A 421 -7.503 -4.184 -0.754 1.00 0.00 C ATOM 570 O ALA A 421 -7.704 -3.924 -1.936 1.00 0.00 O ATOM 571 CB ALA A 421 -8.949 -5.468 0.851 1.00 0.00 C ATOM 0 H ALA A 421 -9.892 -3.817 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.334 -3.424 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.058 -5.858 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.754 -5.374 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.254 -6.151 0.058 1.00 0.00 H new ATOM 577 N LEU A 422 -6.309 -4.504 -0.292 1.00 0.00 N ATOM 578 CA LEU A 422 -5.211 -4.792 -1.181 1.00 0.00 C ATOM 579 C LEU A 422 -5.398 -6.153 -1.819 1.00 0.00 C ATOM 580 O LEU A 422 -6.157 -6.983 -1.311 1.00 0.00 O ATOM 581 CB LEU A 422 -3.906 -4.773 -0.399 1.00 0.00 C ATOM 582 CG LEU A 422 -3.472 -3.408 0.134 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.428 -2.373 -0.978 1.00 0.00 C ATOM 584 CD2 LEU A 422 -4.369 -2.942 1.267 1.00 0.00 C ATOM 0 H LEU A 422 -6.079 -4.570 0.700 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.181 -4.034 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -3.999 -5.459 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.114 -5.161 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 422 -2.464 -3.521 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.116 -1.412 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.718 -2.690 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -4.418 -2.274 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -4.031 -1.968 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -5.395 -2.862 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.325 -3.661 2.085 1.00 0.00 H new ATOM 596 N PRO A 423 -4.713 -6.390 -2.943 1.00 0.00 N ATOM 597 CA PRO A 423 -4.697 -7.687 -3.601 1.00 0.00 C ATOM 598 C PRO A 423 -4.408 -8.804 -2.610 1.00 0.00 C ATOM 599 O PRO A 423 -3.546 -8.665 -1.738 1.00 0.00 O ATOM 600 CB PRO A 423 -3.569 -7.549 -4.622 1.00 0.00 C ATOM 601 CG PRO A 423 -3.524 -6.095 -4.928 1.00 0.00 C ATOM 602 CD PRO A 423 -3.903 -5.395 -3.662 1.00 0.00 C ATOM 0 HA PRO A 423 -5.654 -7.945 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.620 -7.899 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.769 -8.138 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.528 -5.796 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.214 -5.844 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.024 -5.103 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.470 -4.486 -3.861 1.00 0.00 H new ATOM 610 N LYS A 424 -5.165 -9.887 -2.750 1.00 0.00 N ATOM 611 CA LYS A 424 -5.136 -11.036 -1.835 1.00 0.00 C ATOM 612 C LYS A 424 -5.932 -10.720 -0.573 1.00 0.00 C ATOM 613 O LYS A 424 -5.745 -11.352 0.468 1.00 0.00 O ATOM 614 CB LYS A 424 -3.709 -11.456 -1.456 1.00 0.00 C ATOM 615 CG LYS A 424 -2.811 -11.788 -2.635 1.00 0.00 C ATOM 616 CD LYS A 424 -1.422 -12.163 -2.150 1.00 0.00 C ATOM 617 CE LYS A 424 -0.448 -12.363 -3.296 1.00 0.00 C ATOM 618 NZ LYS A 424 0.892 -12.782 -2.804 1.00 0.00 N ATOM 0 H LYS A 424 -5.830 -9.999 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.590 -11.874 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.249 -10.652 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.763 -12.326 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.239 -12.612 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.750 -10.932 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.047 -11.382 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -1.480 -13.078 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.838 -13.117 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.356 -11.436 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 1.534 -12.910 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 1.274 -12.050 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 0.806 -13.679 -2.284 1.00 0.00 H new ATOM 632 N ALA A 425 -6.817 -9.728 -0.685 1.00 0.00 N ATOM 633 CA ALA A 425 -7.674 -9.301 0.422 1.00 0.00 C ATOM 634 C ALA A 425 -6.842 -8.881 1.629 1.00 0.00 C ATOM 635 O ALA A 425 -7.148 -9.234 2.767 1.00 0.00 O ATOM 636 CB ALA A 425 -8.659 -10.401 0.799 1.00 0.00 C ATOM 0 H ALA A 425 -6.960 -9.198 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.244 -8.433 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -9.286 -10.061 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.287 -10.637 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -8.110 -11.292 1.103 1.00 0.00 H new ATOM 642 N GLN A 426 -5.792 -8.119 1.369 1.00 0.00 N ATOM 643 CA GLN A 426 -4.874 -7.690 2.413 1.00 0.00 C ATOM 644 C GLN A 426 -5.175 -6.262 2.842 1.00 0.00 C ATOM 645 O GLN A 426 -5.975 -5.571 2.213 1.00 0.00 O ATOM 646 CB GLN A 426 -3.438 -7.779 1.903 1.00 0.00 C ATOM 647 CG GLN A 426 -3.034 -9.174 1.461 1.00 0.00 C ATOM 648 CD GLN A 426 -1.592 -9.250 0.995 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.943 -10.291 1.105 1.00 0.00 O ATOM 650 NE2 GLN A 426 -1.077 -8.148 0.472 1.00 0.00 N ATOM 0 H GLN A 426 -5.553 -7.782 0.436 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.999 -8.346 3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.316 -7.092 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.761 -7.446 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.181 -9.869 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.690 -9.498 0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.646 -7.305 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.111 -8.142 0.144 1.00 0.00 H new ATOM 659 N THR A 427 -4.547 -5.828 3.923 1.00 0.00 N ATOM 660 CA THR A 427 -4.658 -4.448 4.363 1.00 0.00 C ATOM 661 C THR A 427 -3.268 -3.829 4.450 1.00 0.00 C ATOM 662 O THR A 427 -3.115 -2.625 4.645 1.00 0.00 O ATOM 663 CB THR A 427 -5.357 -4.336 5.732 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.618 -5.055 6.725 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.781 -4.871 5.666 1.00 0.00 C ATOM 0 H THR A 427 -3.954 -6.413 4.512 1.00 0.00 H new ATOM 0 HA THR A 427 -5.266 -3.913 3.633 1.00 0.00 H new ATOM 0 HB THR A 427 -5.396 -3.281 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.335 -4.439 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.250 -4.779 6.646 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.352 -4.297 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.762 -5.920 5.369 1.00 0.00 H new ATOM 673 N THR A 428 -2.259 -4.673 4.297 1.00 0.00 N ATOM 674 CA THR A 428 -0.883 -4.257 4.377 1.00 0.00 C ATOM 675 C THR A 428 -0.178 -4.398 3.032 1.00 0.00 C ATOM 676 O THR A 428 -0.524 -5.266 2.226 1.00 0.00 O ATOM 677 CB THR A 428 -0.150 -5.116 5.412 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.673 -6.454 5.398 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.270 -4.529 6.808 1.00 0.00 C ATOM 0 H THR A 428 -2.381 -5.669 4.113 1.00 0.00 H new ATOM 0 HA THR A 428 -0.866 -3.207 4.669 1.00 0.00 H new ATOM 0 HB THR A 428 0.906 -5.134 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.198 -6.998 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.262 -5.164 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.164 -3.529 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.321 -4.472 7.090 1.00 0.00 H new ATOM 687 N VAL A 429 0.800 -3.539 2.792 1.00 0.00 N ATOM 688 CA VAL A 429 1.664 -3.659 1.629 1.00 0.00 C ATOM 689 C VAL A 429 3.117 -3.703 2.074 1.00 0.00 C ATOM 690 O VAL A 429 3.502 -3.062 3.052 1.00 0.00 O ATOM 691 CB VAL A 429 1.462 -2.508 0.616 1.00 0.00 C ATOM 692 CG1 VAL A 429 0.088 -2.591 -0.028 1.00 0.00 C ATOM 693 CG2 VAL A 429 1.657 -1.158 1.284 1.00 0.00 C ATOM 0 H VAL A 429 1.016 -2.744 3.394 1.00 0.00 H new ATOM 0 HA VAL A 429 1.396 -4.585 1.121 1.00 0.00 H new ATOM 0 HB VAL A 429 2.214 -2.613 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -0.032 -1.772 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -0.011 -3.542 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -0.680 -2.520 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.510 -0.365 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 429 0.934 -1.044 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.667 -1.095 1.689 1.00 0.00 H new ATOM 703 N THR A 430 3.910 -4.477 1.362 1.00 0.00 N ATOM 704 CA THR A 430 5.302 -4.668 1.703 1.00 0.00 C ATOM 705 C THR A 430 6.196 -3.948 0.701 1.00 0.00 C ATOM 706 O THR A 430 6.027 -4.096 -0.506 1.00 0.00 O ATOM 707 CB THR A 430 5.635 -6.171 1.706 1.00 0.00 C ATOM 708 OG1 THR A 430 4.724 -6.864 2.569 1.00 0.00 O ATOM 709 CG2 THR A 430 7.068 -6.423 2.153 1.00 0.00 C ATOM 0 H THR A 430 3.608 -4.989 0.533 1.00 0.00 H new ATOM 0 HA THR A 430 5.480 -4.254 2.696 1.00 0.00 H new ATOM 0 HB THR A 430 5.533 -6.544 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.936 -7.821 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.269 -7.494 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.755 -5.919 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.207 -6.037 3.163 1.00 0.00 H new ATOM 717 N CYS A 431 7.126 -3.149 1.195 1.00 0.00 N ATOM 718 CA CYS A 431 8.078 -2.477 0.331 1.00 0.00 C ATOM 719 C CYS A 431 9.076 -3.475 -0.207 1.00 0.00 C ATOM 720 O CYS A 431 9.901 -3.993 0.543 1.00 0.00 O ATOM 721 CB CYS A 431 8.837 -1.385 1.082 1.00 0.00 C ATOM 722 SG CYS A 431 10.185 -0.621 0.115 1.00 0.00 S ATOM 0 H CYS A 431 7.241 -2.951 2.189 1.00 0.00 H new ATOM 0 HA CYS A 431 7.518 -2.020 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.134 -0.608 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.254 -1.809 1.996 1.00 0.00 H new ATOM 727 N MET A 432 8.998 -3.761 -1.490 1.00 0.00 N ATOM 728 CA MET A 432 9.990 -4.604 -2.112 1.00 0.00 C ATOM 729 C MET A 432 10.325 -4.137 -3.495 1.00 0.00 C ATOM 730 O MET A 432 9.456 -3.761 -4.281 1.00 0.00 O ATOM 731 CB MET A 432 9.591 -6.065 -2.125 1.00 0.00 C ATOM 732 CG MET A 432 9.828 -6.731 -0.791 1.00 0.00 C ATOM 733 SD MET A 432 10.268 -8.475 -0.935 1.00 0.00 S ATOM 734 CE MET A 432 10.309 -8.950 0.792 1.00 0.00 C ATOM 0 H MET A 432 8.265 -3.425 -2.115 1.00 0.00 H new ATOM 0 HA MET A 432 10.885 -4.520 -1.496 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.537 -6.150 -2.390 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.157 -6.588 -2.896 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.625 -6.204 -0.266 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.929 -6.639 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.568 -10.006 0.873 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.055 -8.352 1.316 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.329 -8.781 1.239 1.00 0.00 H new ATOM 744 N GLU A 433 11.615 -4.179 -3.747 1.00 0.00 N ATOM 745 CA GLU A 433 12.231 -3.675 -4.963 1.00 0.00 C ATOM 746 C GLU A 433 11.620 -2.353 -5.432 1.00 0.00 C ATOM 747 O GLU A 433 11.404 -2.157 -6.626 1.00 0.00 O ATOM 748 CB GLU A 433 12.185 -4.716 -6.069 1.00 0.00 C ATOM 749 CG GLU A 433 13.542 -4.935 -6.709 1.00 0.00 C ATOM 750 CD GLU A 433 14.559 -5.476 -5.732 1.00 0.00 C ATOM 751 OE1 GLU A 433 14.624 -6.707 -5.558 1.00 0.00 O ATOM 752 OE2 GLU A 433 15.282 -4.668 -5.119 1.00 0.00 O ATOM 0 H GLU A 433 12.289 -4.577 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 433 13.274 -3.470 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 433 11.821 -5.659 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.472 -4.402 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.439 -5.629 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.903 -3.992 -7.120 1.00 0.00 H new ATOM 759 N ASN A 434 11.325 -1.463 -4.475 1.00 0.00 N ATOM 760 CA ASN A 434 10.852 -0.098 -4.766 1.00 0.00 C ATOM 761 C ASN A 434 9.403 -0.087 -5.272 1.00 0.00 C ATOM 762 O ASN A 434 8.738 0.948 -5.244 1.00 0.00 O ATOM 763 CB ASN A 434 11.786 0.581 -5.786 1.00 0.00 C ATOM 764 CG ASN A 434 11.387 2.006 -6.129 1.00 0.00 C ATOM 765 OD1 ASN A 434 11.771 2.950 -5.445 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.662 2.180 -7.225 1.00 0.00 N ATOM 0 H ASN A 434 11.406 -1.666 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 434 10.872 0.464 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.801 0.583 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.802 -0.012 -6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.407 3.121 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.360 1.373 -7.770 1.00 0.00 H new ATOM 773 N GLY A 435 8.902 -1.241 -5.693 1.00 0.00 N ATOM 774 CA GLY A 435 7.593 -1.290 -6.306 1.00 0.00 C ATOM 775 C GLY A 435 6.600 -2.152 -5.555 1.00 0.00 C ATOM 776 O GLY A 435 5.904 -2.947 -6.174 1.00 0.00 O ATOM 0 H GLY A 435 9.378 -2.140 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.198 -0.277 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.692 -1.668 -7.323 1.00 0.00 H new ATOM 780 N TRP A 436 6.561 -1.976 -4.224 1.00 0.00 N ATOM 781 CA TRP A 436 5.570 -2.582 -3.328 1.00 0.00 C ATOM 782 C TRP A 436 5.124 -3.990 -3.730 1.00 0.00 C ATOM 783 O TRP A 436 4.305 -4.160 -4.633 1.00 0.00 O ATOM 784 CB TRP A 436 4.370 -1.663 -3.234 1.00 0.00 C ATOM 785 CG TRP A 436 4.675 -0.328 -2.628 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.763 0.864 -3.283 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.942 -0.049 -1.250 1.00 0.00 C ATOM 788 NE1 TRP A 436 5.056 1.869 -2.397 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.174 1.333 -1.143 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.002 -0.834 -0.097 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.466 1.945 0.071 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.293 -0.223 1.107 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.522 1.153 1.183 1.00 0.00 C ATOM 0 H TRP A 436 7.237 -1.392 -3.731 1.00 0.00 H new ATOM 0 HA TRP A 436 6.057 -2.701 -2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.960 -1.513 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.596 -2.152 -2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.622 0.998 -4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.168 2.855 -2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.824 -1.898 -0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.642 3.009 0.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.344 -0.820 2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.748 1.600 2.140 1.00 0.00 H new ATOM 804 N SER A 437 5.604 -4.974 -2.979 1.00 0.00 N ATOM 805 CA SER A 437 5.429 -6.390 -3.290 1.00 0.00 C ATOM 806 C SER A 437 4.021 -6.733 -3.803 1.00 0.00 C ATOM 807 O SER A 437 3.878 -7.175 -4.945 1.00 0.00 O ATOM 808 CB SER A 437 5.763 -7.225 -2.053 1.00 0.00 C ATOM 809 OG SER A 437 7.116 -7.158 -1.740 1.00 0.00 O ATOM 0 H SER A 437 6.134 -4.809 -2.123 1.00 0.00 H new ATOM 0 HA SER A 437 6.113 -6.628 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.175 -6.872 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.480 -8.263 -2.227 1.00 0.00 H new ATOM 0 HG SER A 437 7.467 -8.064 -1.610 1.00 0.00 H new ATOM 815 N PRO A 438 2.958 -6.528 -2.999 1.00 0.00 N ATOM 816 CA PRO A 438 1.616 -6.944 -3.384 1.00 0.00 C ATOM 817 C PRO A 438 0.861 -5.879 -4.172 1.00 0.00 C ATOM 818 O PRO A 438 -0.261 -6.103 -4.622 1.00 0.00 O ATOM 819 CB PRO A 438 0.964 -7.184 -2.036 1.00 0.00 C ATOM 820 CG PRO A 438 1.569 -6.163 -1.133 1.00 0.00 C ATOM 821 CD PRO A 438 2.956 -5.892 -1.661 1.00 0.00 C ATOM 0 HA PRO A 438 1.620 -7.807 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.118 -7.069 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.158 -8.195 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.972 -5.251 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.609 -6.528 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.157 -4.823 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.721 -6.321 -1.014 1.00 0.00 H new ATOM 829 N THR A 439 1.511 -4.732 -4.331 1.00 0.00 N ATOM 830 CA THR A 439 0.964 -3.585 -5.051 1.00 0.00 C ATOM 831 C THR A 439 -0.139 -2.890 -4.248 1.00 0.00 C ATOM 832 O THR A 439 -1.156 -3.493 -3.910 1.00 0.00 O ATOM 833 CB THR A 439 0.432 -3.983 -6.445 1.00 0.00 C ATOM 834 OG1 THR A 439 1.450 -4.694 -7.164 1.00 0.00 O ATOM 835 CG2 THR A 439 0.020 -2.758 -7.247 1.00 0.00 C ATOM 0 H THR A 439 2.446 -4.569 -3.959 1.00 0.00 H new ATOM 0 HA THR A 439 1.787 -2.883 -5.188 1.00 0.00 H new ATOM 0 HB THR A 439 -0.443 -4.617 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.110 -4.947 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.350 -3.070 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.766 -2.222 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.881 -2.102 -7.378 1.00 0.00 H new ATOM 843 N PRO A 440 0.065 -1.607 -3.918 1.00 0.00 N ATOM 844 CA PRO A 440 -0.914 -0.817 -3.169 1.00 0.00 C ATOM 845 C PRO A 440 -2.109 -0.410 -4.031 1.00 0.00 C ATOM 846 O PRO A 440 -2.165 0.696 -4.570 1.00 0.00 O ATOM 847 CB PRO A 440 -0.117 0.410 -2.736 1.00 0.00 C ATOM 848 CG PRO A 440 0.941 0.563 -3.773 1.00 0.00 C ATOM 849 CD PRO A 440 1.269 -0.824 -4.252 1.00 0.00 C ATOM 0 HA PRO A 440 -1.344 -1.375 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.751 1.295 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 440 0.317 0.270 -1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.591 1.186 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.824 1.050 -3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.472 -0.840 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.154 -1.220 -3.754 1.00 0.00 H new ATOM 857 N ARG A 441 -3.057 -1.322 -4.160 1.00 0.00 N ATOM 858 CA ARG A 441 -4.268 -1.078 -4.932 1.00 0.00 C ATOM 859 C ARG A 441 -5.482 -1.523 -4.139 1.00 0.00 C ATOM 860 O ARG A 441 -5.504 -2.625 -3.601 1.00 0.00 O ATOM 861 CB ARG A 441 -4.231 -1.820 -6.265 1.00 0.00 C ATOM 862 CG ARG A 441 -3.165 -1.324 -7.223 1.00 0.00 C ATOM 863 CD ARG A 441 -3.335 -1.961 -8.591 1.00 0.00 C ATOM 864 NE ARG A 441 -4.631 -1.627 -9.176 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.458 -2.514 -9.727 1.00 0.00 C ATOM 866 NH1 ARG A 441 -5.094 -3.787 -9.848 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.646 -2.116 -10.163 1.00 0.00 N ATOM 0 H ARG A 441 -3.012 -2.249 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.330 -0.009 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.066 -2.880 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.205 -1.730 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.225 -0.239 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.176 -1.558 -6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.537 -1.624 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.241 -3.043 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.922 -0.650 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -4.177 -4.089 -9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.731 -4.462 -10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.920 -1.137 -10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -7.285 -2.789 -10.586 1.00 0.00 H new ATOM 881 N CYS A 442 -6.490 -0.673 -4.077 1.00 0.00 N ATOM 882 CA CYS A 442 -7.674 -0.964 -3.291 1.00 0.00 C ATOM 883 C CYS A 442 -8.768 -1.576 -4.145 1.00 0.00 C ATOM 884 O CYS A 442 -9.752 -0.928 -4.497 1.00 0.00 O ATOM 885 CB CYS A 442 -8.161 0.299 -2.608 1.00 0.00 C ATOM 886 SG CYS A 442 -6.925 1.013 -1.486 1.00 0.00 S ATOM 0 H CYS A 442 -6.512 0.224 -4.561 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.411 -1.698 -2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.427 1.037 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.069 0.076 -2.047 1.00 0.00 H new ATOM 891 N ILE A 443 -8.569 -2.833 -4.481 1.00 0.00 N ATOM 892 CA ILE A 443 -9.560 -3.611 -5.188 1.00 0.00 C ATOM 893 C ILE A 443 -10.281 -4.513 -4.222 1.00 0.00 C ATOM 894 O ILE A 443 -9.675 -5.025 -3.282 1.00 0.00 O ATOM 895 CB ILE A 443 -8.935 -4.496 -6.255 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.564 -4.982 -5.806 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.863 -3.770 -7.574 1.00 0.00 C ATOM 898 CD1 ILE A 443 -6.864 -5.886 -6.800 1.00 0.00 C ATOM 0 H ILE A 443 -7.712 -3.344 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.241 -2.903 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.567 -5.372 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -6.931 -4.116 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -7.672 -5.516 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.413 -4.421 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.868 -3.492 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -8.256 -2.871 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.895 -6.185 -6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.473 -6.773 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -6.720 -5.352 -7.739 1.00 0.00 H new ATOM 910 N ARG A 444 -11.568 -4.719 -4.436 1.00 0.00 N ATOM 911 CA ARG A 444 -12.316 -5.517 -3.522 1.00 0.00 C ATOM 912 C ARG A 444 -13.754 -5.784 -3.912 1.00 0.00 C ATOM 913 O ARG A 444 -14.153 -5.742 -5.075 1.00 0.00 O ATOM 914 CB ARG A 444 -12.294 -4.836 -2.229 1.00 0.00 C ATOM 915 CG ARG A 444 -11.810 -5.719 -1.087 1.00 0.00 C ATOM 916 CD ARG A 444 -12.406 -7.116 -1.091 1.00 0.00 C ATOM 917 NE ARG A 444 -12.165 -7.817 0.169 1.00 0.00 N ATOM 918 CZ ARG A 444 -12.617 -9.041 0.436 1.00 0.00 C ATOM 919 NH1 ARG A 444 -13.211 -9.756 -0.513 1.00 0.00 N ATOM 920 NH2 ARG A 444 -12.431 -9.559 1.642 1.00 0.00 N ATOM 0 H ARG A 444 -12.097 -4.346 -5.224 1.00 0.00 H new ATOM 0 HA ARG A 444 -11.842 -6.498 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -11.649 -3.960 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -13.297 -4.476 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -10.724 -5.798 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -12.050 -5.235 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -13.479 -7.052 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -11.979 -7.690 -1.913 1.00 0.00 H new ATOM 0 HE ARG A 444 -11.618 -7.340 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -13.322 -9.368 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -13.556 -10.693 -0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -11.944 -9.021 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -12.775 -10.496 1.853 1.00 0.00 H new ATOM 934 N VAL A 445 -14.500 -6.029 -2.860 1.00 0.00 N ATOM 935 CA VAL A 445 -15.852 -6.537 -2.899 1.00 0.00 C ATOM 936 C VAL A 445 -16.877 -5.406 -3.031 1.00 0.00 C ATOM 937 O VAL A 445 -18.070 -5.649 -3.231 1.00 0.00 O ATOM 938 CB VAL A 445 -16.068 -7.354 -1.605 1.00 0.00 C ATOM 939 CG1 VAL A 445 -15.797 -6.496 -0.365 1.00 0.00 C ATOM 940 CG2 VAL A 445 -17.452 -7.987 -1.558 1.00 0.00 C ATOM 0 H VAL A 445 -14.165 -5.872 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 445 -15.995 -7.169 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 445 -15.348 -8.172 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -15.956 -7.094 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.767 -6.140 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.475 -5.643 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -17.562 -8.552 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -18.211 -7.206 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -17.575 -8.657 -2.409 1.00 0.00 H new