USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 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= -1.36! USER MOD Set 1.2: A 428 THR OG1 : rot -140:sc= -0.879 USER MOD Set 2.1: A 424 LYS NZ :NH3+ -176:sc= 0.393 (180deg=0.379) USER MOD Set 2.2: A 439 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 396 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Set 3.2: A 420 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 399 ASN : amide:sc= 0.111 X(o=-3,f=-3.2) USER MOD Set 4.2: A 402 HIS : no HD1:sc= -3.11! C(o=-3!,f=-15!) USER MOD Single : A 388 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0603) USER MOD Single : A 390 TYR OH : rot 180:sc=-0.00228 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 400 GLN : amide:sc= 1.12 K(o=1.1,f=-0.15) USER MOD Single : A 401 ASN : amide:sc= -0.356 K(o=-0.36,f=-4!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN :FLIP amide:sc= -2.37! C(o=-4.2!,f=-2.4!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.24) USER MOD Single : A 426 GLN : amide:sc= -0.0999 X(o=-0.1,f=-0.14) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -169:sc= -0.0412 (180deg=-0.295) USER MOD Single : A 434 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.54) USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 19.234 -0.309 -3.823 1.00 0.00 N ATOM 2 CA LEU A 386 18.515 0.742 -3.182 1.00 0.00 C ATOM 3 C LEU A 386 17.233 0.968 -3.923 1.00 0.00 C ATOM 4 O LEU A 386 17.166 1.645 -4.949 1.00 0.00 O ATOM 5 CB LEU A 386 19.304 2.010 -3.167 1.00 0.00 C ATOM 6 CG LEU A 386 20.686 1.919 -2.523 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.404 3.255 -2.611 1.00 0.00 C ATOM 8 CD2 LEU A 386 20.578 1.473 -1.076 1.00 0.00 C ATOM 0 HA LEU A 386 18.320 0.452 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.423 2.355 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 386 18.727 2.770 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 386 21.266 1.175 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.387 3.171 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.520 3.538 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 386 20.821 4.016 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 386 21.574 1.415 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 386 19.977 2.191 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 386 20.105 0.492 -1.032 1.00 0.00 H new ATOM 20 N ARG A 387 16.244 0.362 -3.391 1.00 0.00 N ATOM 21 CA ARG A 387 14.914 0.369 -3.964 1.00 0.00 C ATOM 22 C ARG A 387 13.926 1.015 -3.011 1.00 0.00 C ATOM 23 O ARG A 387 13.243 0.334 -2.251 1.00 0.00 O ATOM 24 CB ARG A 387 14.467 -1.056 -4.297 1.00 0.00 C ATOM 25 CG ARG A 387 15.322 -1.753 -5.348 1.00 0.00 C ATOM 26 CD ARG A 387 15.018 -1.264 -6.761 1.00 0.00 C ATOM 27 NE ARG A 387 15.399 0.134 -6.983 1.00 0.00 N ATOM 28 CZ ARG A 387 15.136 0.799 -8.110 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.527 0.186 -9.117 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.491 2.073 -8.240 1.00 0.00 N ATOM 0 H ARG A 387 16.315 -0.171 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 387 14.943 0.952 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.479 -1.651 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.435 -1.028 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.376 -1.583 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.154 -2.829 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 387 15.543 -1.895 -7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 387 13.952 -1.379 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 387 15.891 0.625 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.259 -0.794 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 387 14.327 0.695 -9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.968 2.550 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 387 15.286 2.574 -9.105 1.00 0.00 H new ATOM 44 N LYS A 388 13.887 2.338 -3.026 1.00 0.00 N ATOM 45 CA LYS A 388 12.888 3.061 -2.257 1.00 0.00 C ATOM 46 C LYS A 388 11.526 2.848 -2.893 1.00 0.00 C ATOM 47 O LYS A 388 11.373 2.952 -4.113 1.00 0.00 O ATOM 48 CB LYS A 388 13.165 4.568 -2.194 1.00 0.00 C ATOM 49 CG LYS A 388 14.539 4.972 -1.665 1.00 0.00 C ATOM 50 CD LYS A 388 15.645 4.728 -2.682 1.00 0.00 C ATOM 51 CE LYS A 388 16.919 5.470 -2.314 1.00 0.00 C ATOM 52 NZ LYS A 388 17.400 5.125 -0.952 1.00 0.00 N ATOM 0 H LYS A 388 14.528 2.928 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 388 12.921 2.674 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.047 4.982 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.404 5.032 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.525 6.027 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.755 4.411 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.851 3.660 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.309 5.048 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.696 5.235 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.741 6.544 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.352 5.519 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.751 5.523 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.434 4.091 -0.848 1.00 0.00 H new ATOM 66 N CYS A 389 10.549 2.564 -2.073 1.00 0.00 N ATOM 67 CA CYS A 389 9.206 2.311 -2.551 1.00 0.00 C ATOM 68 C CYS A 389 8.314 3.513 -2.308 1.00 0.00 C ATOM 69 O CYS A 389 7.919 3.796 -1.175 1.00 0.00 O ATOM 70 CB CYS A 389 8.618 1.071 -1.875 1.00 0.00 C ATOM 71 SG CYS A 389 9.343 -0.500 -2.444 1.00 0.00 S ATOM 0 H CYS A 389 10.655 2.501 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 389 9.258 2.130 -3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.761 1.156 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.543 1.048 -2.053 1.00 0.00 H new ATOM 76 N TYR A 390 8.029 4.240 -3.377 1.00 0.00 N ATOM 77 CA TYR A 390 7.070 5.327 -3.324 1.00 0.00 C ATOM 78 C TYR A 390 5.682 4.747 -3.119 1.00 0.00 C ATOM 79 O TYR A 390 5.291 3.814 -3.817 1.00 0.00 O ATOM 80 CB TYR A 390 7.129 6.148 -4.617 1.00 0.00 C ATOM 81 CG TYR A 390 6.079 7.240 -4.719 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.216 8.435 -4.024 1.00 0.00 C ATOM 83 CD2 TYR A 390 4.957 7.077 -5.526 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.265 9.435 -4.127 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.002 8.070 -5.633 1.00 0.00 C ATOM 86 CZ TYR A 390 4.161 9.247 -4.932 1.00 0.00 C ATOM 87 OH TYR A 390 3.213 10.242 -5.040 1.00 0.00 O ATOM 0 H TYR A 390 8.451 4.094 -4.294 1.00 0.00 H new ATOM 0 HA TYR A 390 7.309 5.991 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.116 6.602 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.017 5.474 -5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.079 8.586 -3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.830 6.158 -6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.387 10.358 -3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.136 7.925 -6.262 1.00 0.00 H new ATOM 0 HH TYR A 390 2.501 9.951 -5.647 1.00 0.00 H new ATOM 97 N PHE A 391 4.968 5.266 -2.139 1.00 0.00 N ATOM 98 CA PHE A 391 3.621 4.806 -1.854 1.00 0.00 C ATOM 99 C PHE A 391 2.654 5.376 -2.893 1.00 0.00 C ATOM 100 O PHE A 391 2.329 6.567 -2.859 1.00 0.00 O ATOM 101 CB PHE A 391 3.213 5.224 -0.435 1.00 0.00 C ATOM 102 CG PHE A 391 2.045 4.451 0.108 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.188 3.119 0.462 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.809 5.054 0.273 1.00 0.00 C ATOM 105 CE1 PHE A 391 1.121 2.403 0.969 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.262 4.341 0.779 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.106 3.015 1.128 1.00 0.00 C ATOM 0 H PHE A 391 5.299 6.009 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 391 3.587 3.718 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.065 5.094 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.967 6.286 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.146 2.635 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.681 6.092 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.247 1.365 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.221 4.822 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.942 2.458 1.524 1.00 0.00 H new ATOM 117 N PRO A 392 2.189 4.525 -3.828 1.00 0.00 N ATOM 118 CA PRO A 392 1.379 4.959 -4.971 1.00 0.00 C ATOM 119 C PRO A 392 0.018 5.460 -4.539 1.00 0.00 C ATOM 120 O PRO A 392 -0.515 5.024 -3.519 1.00 0.00 O ATOM 121 CB PRO A 392 1.240 3.694 -5.818 1.00 0.00 C ATOM 122 CG PRO A 392 1.414 2.572 -4.858 1.00 0.00 C ATOM 123 CD PRO A 392 2.386 3.063 -3.822 1.00 0.00 C ATOM 0 HA PRO A 392 1.838 5.790 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.266 3.650 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.993 3.661 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.463 2.297 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.795 1.683 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 392 2.178 2.634 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.412 2.795 -4.076 1.00 0.00 H new ATOM 131 N TYR A 393 -0.540 6.370 -5.316 1.00 0.00 N ATOM 132 CA TYR A 393 -1.786 7.015 -4.956 1.00 0.00 C ATOM 133 C TYR A 393 -2.980 6.094 -5.176 1.00 0.00 C ATOM 134 O TYR A 393 -3.187 5.564 -6.266 1.00 0.00 O ATOM 135 CB TYR A 393 -1.963 8.310 -5.743 1.00 0.00 C ATOM 136 CG TYR A 393 -3.316 8.957 -5.534 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.687 9.445 -4.287 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.230 9.055 -6.576 1.00 0.00 C ATOM 139 CE1 TYR A 393 -4.928 10.017 -4.087 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.475 9.621 -6.381 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.818 10.103 -5.136 1.00 0.00 C ATOM 142 OH TYR A 393 -7.061 10.658 -4.938 1.00 0.00 O ATOM 0 H TYR A 393 -0.146 6.679 -6.205 1.00 0.00 H new ATOM 0 HA TYR A 393 -1.740 7.250 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.183 9.013 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -1.827 8.104 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -2.994 9.376 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -3.963 8.683 -7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.200 10.395 -3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.176 9.686 -7.200 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.564 10.643 -5.779 1.00 0.00 H new ATOM 152 N LEU A 394 -3.762 5.920 -4.121 1.00 0.00 N ATOM 153 CA LEU A 394 -4.977 5.132 -4.180 1.00 0.00 C ATOM 154 C LEU A 394 -6.178 6.046 -4.056 1.00 0.00 C ATOM 155 O LEU A 394 -6.504 6.502 -2.962 1.00 0.00 O ATOM 156 CB LEU A 394 -5.024 4.077 -3.062 1.00 0.00 C ATOM 157 CG LEU A 394 -4.239 2.784 -3.312 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.741 3.026 -3.275 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.634 1.726 -2.294 1.00 0.00 C ATOM 0 H LEU A 394 -3.570 6.321 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.994 4.612 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -4.649 4.533 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.067 3.815 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.490 2.426 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.216 2.088 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.470 3.748 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.460 3.416 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.070 0.812 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.415 2.088 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.701 1.518 -2.380 1.00 0.00 H new ATOM 171 N GLU A 395 -6.811 6.331 -5.181 1.00 0.00 N ATOM 172 CA GLU A 395 -8.046 7.101 -5.198 1.00 0.00 C ATOM 173 C GLU A 395 -9.130 6.354 -4.423 1.00 0.00 C ATOM 174 O GLU A 395 -10.040 6.952 -3.850 1.00 0.00 O ATOM 175 CB GLU A 395 -8.490 7.323 -6.645 1.00 0.00 C ATOM 176 CG GLU A 395 -9.817 8.045 -6.788 1.00 0.00 C ATOM 177 CD GLU A 395 -10.384 7.911 -8.181 1.00 0.00 C ATOM 178 OE1 GLU A 395 -10.982 6.859 -8.482 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.225 8.843 -8.993 1.00 0.00 O ATOM 0 H GLU A 395 -6.488 6.038 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.878 8.069 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.721 7.894 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.560 6.356 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.528 7.643 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -9.683 9.100 -6.550 1.00 0.00 H new ATOM 186 N ASN A 396 -8.997 5.036 -4.392 1.00 0.00 N ATOM 187 CA ASN A 396 -9.966 4.175 -3.729 1.00 0.00 C ATOM 188 C ASN A 396 -9.535 3.891 -2.289 1.00 0.00 C ATOM 189 O ASN A 396 -10.114 3.041 -1.610 1.00 0.00 O ATOM 190 CB ASN A 396 -10.109 2.853 -4.495 1.00 0.00 C ATOM 191 CG ASN A 396 -10.239 3.044 -5.999 1.00 0.00 C ATOM 192 OD1 ASN A 396 -9.240 3.051 -6.721 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.462 3.209 -6.484 1.00 0.00 N ATOM 0 H ASN A 396 -8.220 4.536 -4.823 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.928 4.688 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.242 2.225 -4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -10.985 2.319 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.599 3.348 -7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.266 3.197 -5.856 1.00 0.00 H new ATOM 200 N GLY A 397 -8.525 4.615 -1.819 1.00 0.00 N ATOM 201 CA GLY A 397 -7.989 4.367 -0.497 1.00 0.00 C ATOM 202 C GLY A 397 -7.659 5.641 0.255 1.00 0.00 C ATOM 203 O GLY A 397 -7.597 6.722 -0.331 1.00 0.00 O ATOM 0 H GLY A 397 -8.069 5.369 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.711 3.788 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.089 3.759 -0.584 1.00 0.00 H new ATOM 207 N TYR A 398 -7.461 5.510 1.557 1.00 0.00 N ATOM 208 CA TYR A 398 -7.114 6.639 2.406 1.00 0.00 C ATOM 209 C TYR A 398 -5.632 6.952 2.288 1.00 0.00 C ATOM 210 O TYR A 398 -4.862 6.188 1.698 1.00 0.00 O ATOM 211 CB TYR A 398 -7.475 6.349 3.867 1.00 0.00 C ATOM 212 CG TYR A 398 -8.962 6.264 4.121 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.730 7.415 4.221 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.598 5.038 4.262 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.089 7.347 4.452 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.958 4.962 4.494 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.698 6.120 4.587 1.00 0.00 C ATOM 218 OH TYR A 398 -13.058 6.056 4.811 1.00 0.00 O ATOM 0 H TYR A 398 -7.536 4.622 2.054 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.686 7.505 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.010 5.410 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.052 7.130 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.257 8.380 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.020 4.129 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.672 8.253 4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.438 4.000 4.602 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.334 5.118 4.882 1.00 0.00 H new ATOM 228 N ASN A 399 -5.220 8.071 2.852 1.00 0.00 N ATOM 229 CA ASN A 399 -3.836 8.494 2.738 1.00 0.00 C ATOM 230 C ASN A 399 -3.249 8.773 4.107 1.00 0.00 C ATOM 231 O ASN A 399 -3.169 9.921 4.535 1.00 0.00 O ATOM 232 CB ASN A 399 -3.702 9.744 1.863 1.00 0.00 C ATOM 233 CG ASN A 399 -4.865 9.939 0.906 1.00 0.00 C ATOM 234 OD1 ASN A 399 -5.891 10.509 1.263 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.702 9.483 -0.327 1.00 0.00 N ATOM 0 H ASN A 399 -5.817 8.699 3.389 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.286 7.680 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.619 10.621 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.777 9.680 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.444 9.601 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -3.834 9.014 -0.587 1.00 0.00 H new ATOM 242 N GLN A 400 -2.859 7.715 4.801 1.00 0.00 N ATOM 243 CA GLN A 400 -2.159 7.861 6.067 1.00 0.00 C ATOM 244 C GLN A 400 -0.729 8.324 5.812 1.00 0.00 C ATOM 245 O GLN A 400 -0.190 9.161 6.532 1.00 0.00 O ATOM 246 CB GLN A 400 -2.143 6.536 6.827 1.00 0.00 C ATOM 247 CG GLN A 400 -3.515 5.909 7.013 1.00 0.00 C ATOM 248 CD GLN A 400 -3.474 4.695 7.922 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.650 4.808 9.133 1.00 0.00 O ATOM 250 NE2 GLN A 400 -3.217 3.532 7.347 1.00 0.00 N ATOM 0 H GLN A 400 -3.015 6.750 4.510 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.681 8.603 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.503 5.832 6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.693 6.697 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.197 6.650 7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -3.915 5.619 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -3.077 3.482 6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -3.159 2.685 7.913 1.00 0.00 H new ATOM 259 N ASN A 401 -0.132 7.763 4.767 1.00 0.00 N ATOM 260 CA ASN A 401 1.239 8.085 4.387 1.00 0.00 C ATOM 261 C ASN A 401 1.362 8.161 2.868 1.00 0.00 C ATOM 262 O ASN A 401 2.295 7.606 2.291 1.00 0.00 O ATOM 263 CB ASN A 401 2.218 7.017 4.907 1.00 0.00 C ATOM 264 CG ASN A 401 2.207 6.859 6.414 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.907 7.568 7.131 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.434 5.903 6.904 1.00 0.00 N ATOM 0 H ASN A 401 -0.581 7.076 4.162 1.00 0.00 H new ATOM 0 HA ASN A 401 1.488 9.049 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.973 6.059 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.227 7.275 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 401 1.406 5.735 7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.866 5.334 6.276 1.00 0.00 H new ATOM 273 N HIS A 402 0.423 8.832 2.206 1.00 0.00 N ATOM 274 CA HIS A 402 0.445 8.891 0.758 1.00 0.00 C ATOM 275 C HIS A 402 1.392 9.972 0.253 1.00 0.00 C ATOM 276 O HIS A 402 1.523 11.036 0.861 1.00 0.00 O ATOM 277 CB HIS A 402 -0.960 9.123 0.231 1.00 0.00 C ATOM 278 CG HIS A 402 -1.527 7.929 -0.463 1.00 0.00 C ATOM 279 ND1 HIS A 402 -2.595 7.196 0.017 1.00 0.00 N ATOM 280 CD2 HIS A 402 -1.154 7.334 -1.606 1.00 0.00 C ATOM 281 CE1 HIS A 402 -2.842 6.197 -0.805 1.00 0.00 C ATOM 282 NE2 HIS A 402 -1.982 6.256 -1.801 1.00 0.00 N ATOM 0 H HIS A 402 -0.349 9.333 2.646 1.00 0.00 H new ATOM 0 HA HIS A 402 0.816 7.936 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.612 9.398 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.949 9.966 -0.459 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.349 7.646 -2.255 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -3.618 5.456 -0.683 1.00 0.00 H new ATOM 0 HE2 HIS A 402 -1.938 5.608 -2.587 1.00 0.00 H new ATOM 291 N GLY A 403 2.054 9.687 -0.864 1.00 0.00 N ATOM 292 CA GLY A 403 3.018 10.616 -1.425 1.00 0.00 C ATOM 293 C GLY A 403 4.371 10.494 -0.754 1.00 0.00 C ATOM 294 O GLY A 403 5.219 11.382 -0.864 1.00 0.00 O ATOM 0 H GLY A 403 1.939 8.823 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.124 10.429 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 403 2.648 11.635 -1.315 1.00 0.00 H new ATOM 298 N ARG A 404 4.576 9.387 -0.058 1.00 0.00 N ATOM 299 CA ARG A 404 5.787 9.182 0.721 1.00 0.00 C ATOM 300 C ARG A 404 6.557 7.975 0.212 1.00 0.00 C ATOM 301 O ARG A 404 5.994 7.113 -0.457 1.00 0.00 O ATOM 302 CB ARG A 404 5.416 9.004 2.190 1.00 0.00 C ATOM 303 CG ARG A 404 4.807 10.259 2.787 1.00 0.00 C ATOM 304 CD ARG A 404 4.285 10.033 4.195 1.00 0.00 C ATOM 305 NE ARG A 404 3.575 11.209 4.702 1.00 0.00 N ATOM 306 CZ ARG A 404 3.041 11.289 5.918 1.00 0.00 C ATOM 307 NH1 ARG A 404 3.262 10.333 6.809 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.326 12.353 6.262 1.00 0.00 N ATOM 0 H ARG A 404 3.914 8.612 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 404 6.432 10.055 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.710 8.179 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.306 8.730 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.555 11.051 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.992 10.603 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.616 9.172 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.117 9.795 4.858 1.00 0.00 H new ATOM 0 HE ARG A 404 3.484 12.016 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.844 9.532 6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.851 10.399 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.185 13.111 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.917 12.413 7.195 1.00 0.00 H new ATOM 322 N LYS A 405 7.842 7.921 0.519 1.00 0.00 N ATOM 323 CA LYS A 405 8.684 6.833 0.059 1.00 0.00 C ATOM 324 C LYS A 405 9.252 6.060 1.240 1.00 0.00 C ATOM 325 O LYS A 405 9.825 6.642 2.162 1.00 0.00 O ATOM 326 CB LYS A 405 9.817 7.366 -0.820 1.00 0.00 C ATOM 327 CG LYS A 405 9.333 8.107 -2.055 1.00 0.00 C ATOM 328 CD LYS A 405 10.479 8.435 -2.996 1.00 0.00 C ATOM 329 CE LYS A 405 9.993 9.251 -4.179 1.00 0.00 C ATOM 330 NZ LYS A 405 11.042 9.412 -5.220 1.00 0.00 N ATOM 0 H LYS A 405 8.324 8.619 1.085 1.00 0.00 H new ATOM 0 HA LYS A 405 8.072 6.156 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.442 8.034 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.447 6.533 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 405 8.595 7.500 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.833 9.028 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.249 8.989 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.939 7.513 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.120 8.768 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.673 10.234 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 10.665 9.976 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.866 9.897 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 11.330 8.476 -5.570 1.00 0.00 H new ATOM 344 N PHE A 406 9.072 4.752 1.215 1.00 0.00 N ATOM 345 CA PHE A 406 9.578 3.891 2.270 1.00 0.00 C ATOM 346 C PHE A 406 10.708 3.026 1.737 1.00 0.00 C ATOM 347 O PHE A 406 10.625 2.493 0.632 1.00 0.00 O ATOM 348 CB PHE A 406 8.451 3.018 2.827 1.00 0.00 C ATOM 349 CG PHE A 406 7.358 3.815 3.487 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.283 4.290 2.751 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.413 4.095 4.843 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.285 5.030 3.356 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.418 4.836 5.453 1.00 0.00 C ATOM 354 CZ PHE A 406 5.352 5.304 4.708 1.00 0.00 C ATOM 0 H PHE A 406 8.576 4.260 0.472 1.00 0.00 H new ATOM 0 HA PHE A 406 9.965 4.511 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.023 2.427 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.867 2.315 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.225 4.079 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.243 3.730 5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.453 5.394 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.474 5.049 6.510 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.573 5.883 5.182 1.00 0.00 H new ATOM 364 N VAL A 407 11.771 2.916 2.518 1.00 0.00 N ATOM 365 CA VAL A 407 12.943 2.147 2.123 1.00 0.00 C ATOM 366 C VAL A 407 12.623 0.649 2.078 1.00 0.00 C ATOM 367 O VAL A 407 11.737 0.169 2.794 1.00 0.00 O ATOM 368 CB VAL A 407 14.127 2.412 3.089 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.836 1.879 4.482 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.422 1.827 2.546 1.00 0.00 C ATOM 0 H VAL A 407 11.847 3.353 3.437 1.00 0.00 H new ATOM 0 HA VAL A 407 13.232 2.469 1.123 1.00 0.00 H new ATOM 0 HB VAL A 407 14.251 3.492 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.686 2.081 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.948 2.369 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.665 0.804 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.234 2.029 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.310 0.750 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.651 2.282 1.583 1.00 0.00 H new ATOM 380 N GLN A 408 13.331 -0.066 1.205 1.00 0.00 N ATOM 381 CA GLN A 408 13.166 -1.506 1.047 1.00 0.00 C ATOM 382 C GLN A 408 13.292 -2.216 2.392 1.00 0.00 C ATOM 383 O GLN A 408 14.307 -2.094 3.074 1.00 0.00 O ATOM 384 CB GLN A 408 14.216 -2.044 0.072 1.00 0.00 C ATOM 385 CG GLN A 408 14.083 -3.528 -0.224 1.00 0.00 C ATOM 386 CD GLN A 408 15.200 -4.049 -1.107 1.00 0.00 C ATOM 387 OE1 GLN A 408 14.998 -3.993 -2.412 1.00 0.00 O flip ATOM 388 NE2 GLN A 408 16.237 -4.498 -0.619 1.00 0.00 N flip ATOM 0 H GLN A 408 14.035 0.339 0.588 1.00 0.00 H new ATOM 0 HA GLN A 408 12.170 -1.699 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.145 -1.490 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.208 -1.853 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.078 -4.083 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.125 -3.713 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 408 16.354 -4.524 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 408 16.979 -4.844 -1.228 1.00 0.00 H new ATOM 397 N GLY A 409 12.254 -2.952 2.762 1.00 0.00 N ATOM 398 CA GLY A 409 12.254 -3.660 4.024 1.00 0.00 C ATOM 399 C GLY A 409 11.139 -3.204 4.946 1.00 0.00 C ATOM 400 O GLY A 409 10.747 -3.930 5.859 1.00 0.00 O ATOM 0 H GLY A 409 11.407 -3.071 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.152 -4.729 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.214 -3.513 4.519 1.00 0.00 H new ATOM 404 N LYS A 410 10.619 -2.006 4.700 1.00 0.00 N ATOM 405 CA LYS A 410 9.586 -1.434 5.548 1.00 0.00 C ATOM 406 C LYS A 410 8.189 -1.874 5.128 1.00 0.00 C ATOM 407 O LYS A 410 7.988 -2.398 4.030 1.00 0.00 O ATOM 408 CB LYS A 410 9.667 0.087 5.525 1.00 0.00 C ATOM 409 CG LYS A 410 10.763 0.654 6.408 1.00 0.00 C ATOM 410 CD LYS A 410 10.697 2.169 6.447 1.00 0.00 C ATOM 411 CE LYS A 410 11.740 2.755 7.384 1.00 0.00 C ATOM 412 NZ LYS A 410 11.768 4.240 7.320 1.00 0.00 N ATOM 0 H LYS A 410 10.898 -1.413 3.918 1.00 0.00 H new ATOM 0 HA LYS A 410 9.763 -1.800 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.832 0.418 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.708 0.498 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.665 0.256 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.737 0.338 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.847 2.565 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.703 2.481 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.529 2.439 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.723 2.361 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.492 4.602 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.994 4.541 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.837 4.617 7.591 1.00 0.00 H new ATOM 426 N SER A 411 7.237 -1.632 6.016 1.00 0.00 N ATOM 427 CA SER A 411 5.844 -1.995 5.803 1.00 0.00 C ATOM 428 C SER A 411 4.954 -0.803 6.151 1.00 0.00 C ATOM 429 O SER A 411 5.447 0.205 6.662 1.00 0.00 O ATOM 430 CB SER A 411 5.487 -3.200 6.682 1.00 0.00 C ATOM 431 OG SER A 411 4.117 -3.548 6.576 1.00 0.00 O ATOM 0 H SER A 411 7.410 -1.175 6.911 1.00 0.00 H new ATOM 0 HA SER A 411 5.687 -2.264 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.101 -4.053 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.724 -2.973 7.721 1.00 0.00 H new ATOM 0 HG SER A 411 3.930 -4.320 7.149 1.00 0.00 H new ATOM 437 N ILE A 412 3.655 -0.921 5.886 1.00 0.00 N ATOM 438 CA ILE A 412 2.703 0.130 6.240 1.00 0.00 C ATOM 439 C ILE A 412 1.289 -0.258 5.825 1.00 0.00 C ATOM 440 O ILE A 412 1.035 -0.628 4.677 1.00 0.00 O ATOM 441 CB ILE A 412 3.068 1.510 5.641 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.095 2.577 6.150 1.00 0.00 C ATOM 443 CG2 ILE A 412 3.082 1.479 4.119 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.139 2.766 7.653 1.00 0.00 C ATOM 0 H ILE A 412 3.238 -1.732 5.428 1.00 0.00 H new ATOM 0 HA ILE A 412 2.752 0.229 7.324 1.00 0.00 H new ATOM 0 HB ILE A 412 4.077 1.761 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.323 3.526 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.082 2.304 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.342 2.466 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.818 0.752 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.095 1.197 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.425 3.536 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.882 1.828 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.142 3.070 7.952 1.00 0.00 H new ATOM 456 N ASP A 413 0.380 -0.183 6.782 1.00 0.00 N ATOM 457 CA ASP A 413 -0.985 -0.656 6.590 1.00 0.00 C ATOM 458 C ASP A 413 -1.741 0.212 5.587 1.00 0.00 C ATOM 459 O ASP A 413 -1.623 1.443 5.578 1.00 0.00 O ATOM 460 CB ASP A 413 -1.745 -0.717 7.921 1.00 0.00 C ATOM 461 CG ASP A 413 -1.790 0.612 8.649 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.753 1.020 9.218 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.872 1.238 8.683 1.00 0.00 O ATOM 0 H ASP A 413 0.563 0.204 7.708 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.921 -1.666 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.764 -1.055 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.276 -1.460 8.565 1.00 0.00 H new ATOM 468 N VAL A 414 -2.515 -0.449 4.745 1.00 0.00 N ATOM 469 CA VAL A 414 -3.292 0.222 3.721 1.00 0.00 C ATOM 470 C VAL A 414 -4.734 0.367 4.165 1.00 0.00 C ATOM 471 O VAL A 414 -5.368 -0.601 4.588 1.00 0.00 O ATOM 472 CB VAL A 414 -3.244 -0.538 2.378 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.982 0.232 1.295 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.806 -0.793 1.961 1.00 0.00 C ATOM 0 H VAL A 414 -2.622 -1.463 4.752 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.851 1.208 3.573 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.741 -1.498 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.935 -0.323 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.024 0.363 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.517 1.209 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.792 -1.330 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.286 0.158 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.307 -1.391 2.723 1.00 0.00 H new ATOM 484 N ALA A 415 -5.242 1.581 4.076 1.00 0.00 N ATOM 485 CA ALA A 415 -6.601 1.858 4.479 1.00 0.00 C ATOM 486 C ALA A 415 -7.489 2.055 3.259 1.00 0.00 C ATOM 487 O ALA A 415 -7.464 3.107 2.625 1.00 0.00 O ATOM 488 CB ALA A 415 -6.645 3.080 5.385 1.00 0.00 C ATOM 0 H ALA A 415 -4.730 2.391 3.727 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.980 1.003 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.675 3.277 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.041 2.896 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.250 3.944 4.850 1.00 0.00 H new ATOM 494 N CYS A 416 -8.248 1.032 2.920 1.00 0.00 N ATOM 495 CA CYS A 416 -9.147 1.088 1.775 1.00 0.00 C ATOM 496 C CYS A 416 -10.451 1.775 2.163 1.00 0.00 C ATOM 497 O CYS A 416 -10.852 1.740 3.326 1.00 0.00 O ATOM 498 CB CYS A 416 -9.429 -0.329 1.277 1.00 0.00 C ATOM 499 SG CYS A 416 -7.927 -1.304 0.930 1.00 0.00 S ATOM 0 H CYS A 416 -8.263 0.144 3.422 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.675 1.662 0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -10.026 -0.853 2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.031 -0.272 0.370 1.00 0.00 H new ATOM 504 N HIS A 417 -11.106 2.417 1.198 1.00 0.00 N ATOM 505 CA HIS A 417 -12.409 3.031 1.453 1.00 0.00 C ATOM 506 C HIS A 417 -13.460 1.941 1.638 1.00 0.00 C ATOM 507 O HIS A 417 -13.223 0.784 1.288 1.00 0.00 O ATOM 508 CB HIS A 417 -12.839 3.956 0.305 1.00 0.00 C ATOM 509 CG HIS A 417 -12.011 5.193 0.135 1.00 0.00 C ATOM 510 ND1 HIS A 417 -12.089 5.996 -0.982 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.101 5.777 0.947 1.00 0.00 C ATOM 512 CE1 HIS A 417 -11.267 7.018 -0.851 1.00 0.00 C ATOM 513 NE2 HIS A 417 -10.656 6.910 0.311 1.00 0.00 N ATOM 0 H HIS A 417 -10.762 2.526 0.244 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.321 3.632 2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -12.811 3.390 -0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -13.875 4.252 0.468 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -10.783 5.419 1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.120 7.808 -1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -9.964 7.563 0.679 1.00 0.00 H new ATOM 522 N PRO A 418 -14.636 2.293 2.179 1.00 0.00 N ATOM 523 CA PRO A 418 -15.729 1.341 2.390 1.00 0.00 C ATOM 524 C PRO A 418 -16.200 0.729 1.074 1.00 0.00 C ATOM 525 O PRO A 418 -16.609 1.440 0.154 1.00 0.00 O ATOM 526 CB PRO A 418 -16.836 2.197 3.018 1.00 0.00 C ATOM 527 CG PRO A 418 -16.139 3.394 3.558 1.00 0.00 C ATOM 528 CD PRO A 418 -15.004 3.644 2.618 1.00 0.00 C ATOM 0 HA PRO A 418 -15.432 0.498 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.586 2.477 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.355 1.653 3.807 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.809 4.253 3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.779 3.216 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.305 4.273 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.174 4.148 3.113 1.00 0.00 H new ATOM 536 N GLY A 419 -16.122 -0.591 0.985 1.00 0.00 N ATOM 537 CA GLY A 419 -16.483 -1.272 -0.242 1.00 0.00 C ATOM 538 C GLY A 419 -15.265 -1.678 -1.046 1.00 0.00 C ATOM 539 O GLY A 419 -15.386 -2.262 -2.124 1.00 0.00 O ATOM 0 H GLY A 419 -15.815 -1.203 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -17.072 -2.158 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -17.115 -0.621 -0.846 1.00 0.00 H new ATOM 543 N TYR A 420 -14.086 -1.364 -0.524 1.00 0.00 N ATOM 544 CA TYR A 420 -12.837 -1.731 -1.173 1.00 0.00 C ATOM 545 C TYR A 420 -12.016 -2.625 -0.254 1.00 0.00 C ATOM 546 O TYR A 420 -12.164 -2.570 0.967 1.00 0.00 O ATOM 547 CB TYR A 420 -12.027 -0.481 -1.539 1.00 0.00 C ATOM 548 CG TYR A 420 -12.736 0.458 -2.489 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.611 0.307 -3.861 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.525 1.497 -2.014 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.253 1.163 -4.734 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.170 2.358 -2.880 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.030 2.187 -4.239 1.00 0.00 C ATOM 554 OH TYR A 420 -14.668 3.040 -5.110 1.00 0.00 O ATOM 0 H TYR A 420 -13.970 -0.853 0.351 1.00 0.00 H new ATOM 0 HA TYR A 420 -13.073 -2.273 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.782 0.060 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.084 -0.791 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.001 -0.493 -4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.636 1.634 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.146 1.030 -5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.781 3.161 -2.494 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.176 3.706 -4.602 1.00 0.00 H new ATOM 564 N ALA A 421 -11.164 -3.450 -0.845 1.00 0.00 N ATOM 565 CA ALA A 421 -10.306 -4.343 -0.081 1.00 0.00 C ATOM 566 C ALA A 421 -9.104 -4.753 -0.917 1.00 0.00 C ATOM 567 O ALA A 421 -9.154 -4.711 -2.143 1.00 0.00 O ATOM 568 CB ALA A 421 -11.088 -5.575 0.352 1.00 0.00 C ATOM 0 H ALA A 421 -11.048 -3.519 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.954 -3.820 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -10.437 -6.237 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.931 -5.271 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -11.457 -6.100 -0.529 1.00 0.00 H new ATOM 574 N LEU A 422 -8.023 -5.140 -0.260 1.00 0.00 N ATOM 575 CA LEU A 422 -6.845 -5.605 -0.971 1.00 0.00 C ATOM 576 C LEU A 422 -7.039 -7.036 -1.445 1.00 0.00 C ATOM 577 O LEU A 422 -7.559 -7.894 -0.729 1.00 0.00 O ATOM 578 CB LEU A 422 -5.590 -5.501 -0.107 1.00 0.00 C ATOM 579 CG LEU A 422 -4.993 -4.099 0.004 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.954 -4.043 1.110 1.00 0.00 C ATOM 581 CD2 LEU A 422 -4.373 -3.684 -1.319 1.00 0.00 C ATOM 0 H LEU A 422 -7.937 -5.142 0.756 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.709 -4.959 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.827 -5.858 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.832 -6.171 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.796 -3.404 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.542 -3.036 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.420 -4.303 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -3.153 -4.750 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.952 -2.683 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.584 -4.386 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -5.138 -3.684 -2.095 1.00 0.00 H new ATOM 593 N PRO A 423 -6.610 -7.269 -2.689 1.00 0.00 N ATOM 594 CA PRO A 423 -6.791 -8.530 -3.425 1.00 0.00 C ATOM 595 C PRO A 423 -6.342 -9.754 -2.663 1.00 0.00 C ATOM 596 O PRO A 423 -6.963 -10.814 -2.717 1.00 0.00 O ATOM 597 CB PRO A 423 -5.904 -8.343 -4.648 1.00 0.00 C ATOM 598 CG PRO A 423 -5.883 -6.877 -4.866 1.00 0.00 C ATOM 599 CD PRO A 423 -5.904 -6.267 -3.497 1.00 0.00 C ATOM 0 HA PRO A 423 -7.845 -8.708 -3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.901 -8.734 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.306 -8.868 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.992 -6.575 -5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.744 -6.555 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.897 -6.086 -3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.423 -5.309 -3.492 1.00 0.00 H new ATOM 607 N LYS A 424 -5.251 -9.578 -1.971 1.00 0.00 N ATOM 608 CA LYS A 424 -4.589 -10.651 -1.254 1.00 0.00 C ATOM 609 C LYS A 424 -4.954 -10.648 0.229 1.00 0.00 C ATOM 610 O LYS A 424 -4.182 -11.120 1.068 1.00 0.00 O ATOM 611 CB LYS A 424 -3.087 -10.519 -1.442 1.00 0.00 C ATOM 612 CG LYS A 424 -2.691 -10.575 -2.904 1.00 0.00 C ATOM 613 CD LYS A 424 -1.250 -10.170 -3.105 1.00 0.00 C ATOM 614 CE LYS A 424 -0.909 -10.086 -4.584 1.00 0.00 C ATOM 615 NZ LYS A 424 0.418 -9.467 -4.818 1.00 0.00 N ATOM 0 H LYS A 424 -4.784 -8.675 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.926 -11.605 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.749 -9.577 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.582 -11.318 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.842 -11.585 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.339 -9.917 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.070 -9.205 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.594 -10.891 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.923 -11.087 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.675 -9.506 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.580 -9.368 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 0.447 -8.529 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 1.159 -10.069 -4.407 1.00 0.00 H new ATOM 629 N ALA A 425 -6.126 -10.091 0.536 1.00 0.00 N ATOM 630 CA ALA A 425 -6.660 -10.057 1.901 1.00 0.00 C ATOM 631 C ALA A 425 -5.656 -9.461 2.884 1.00 0.00 C ATOM 632 O ALA A 425 -5.510 -9.940 4.007 1.00 0.00 O ATOM 633 CB ALA A 425 -7.077 -11.456 2.346 1.00 0.00 C ATOM 0 H ALA A 425 -6.734 -9.650 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.539 -9.412 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.471 -11.412 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -7.846 -11.837 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.212 -12.119 2.321 1.00 0.00 H new ATOM 639 N GLN A 426 -4.956 -8.426 2.451 1.00 0.00 N ATOM 640 CA GLN A 426 -3.968 -7.769 3.280 1.00 0.00 C ATOM 641 C GLN A 426 -4.526 -6.475 3.852 1.00 0.00 C ATOM 642 O GLN A 426 -5.475 -5.908 3.312 1.00 0.00 O ATOM 643 CB GLN A 426 -2.717 -7.469 2.456 1.00 0.00 C ATOM 644 CG GLN A 426 -1.964 -8.708 2.000 1.00 0.00 C ATOM 645 CD GLN A 426 -1.531 -9.587 3.156 1.00 0.00 C ATOM 646 OE1 GLN A 426 -0.457 -9.403 3.729 1.00 0.00 O ATOM 647 NE2 GLN A 426 -2.363 -10.556 3.500 1.00 0.00 N ATOM 0 H GLN A 426 -5.058 -8.022 1.520 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.710 -8.434 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.003 -6.887 1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.046 -6.846 3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.597 -9.286 1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.086 -8.405 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -3.244 -10.674 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -2.124 -11.185 4.266 1.00 0.00 H new ATOM 656 N THR A 427 -3.941 -6.020 4.947 1.00 0.00 N ATOM 657 CA THR A 427 -4.303 -4.745 5.530 1.00 0.00 C ATOM 658 C THR A 427 -3.125 -3.800 5.444 1.00 0.00 C ATOM 659 O THR A 427 -3.160 -2.700 5.976 1.00 0.00 O ATOM 660 CB THR A 427 -4.721 -4.898 7.001 1.00 0.00 C ATOM 661 OG1 THR A 427 -3.952 -5.938 7.618 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.203 -5.214 7.121 1.00 0.00 C ATOM 0 H THR A 427 -3.209 -6.521 5.451 1.00 0.00 H new ATOM 0 HA THR A 427 -5.151 -4.347 4.972 1.00 0.00 H new ATOM 0 HB THR A 427 -4.532 -3.952 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.221 -6.031 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.469 -5.317 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.784 -4.406 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.420 -6.146 6.599 1.00 0.00 H new ATOM 670 N THR A 428 -2.078 -4.257 4.773 1.00 0.00 N ATOM 671 CA THR A 428 -0.850 -3.512 4.647 1.00 0.00 C ATOM 672 C THR A 428 -0.047 -4.000 3.455 1.00 0.00 C ATOM 673 O THR A 428 -0.484 -4.879 2.707 1.00 0.00 O ATOM 674 CB THR A 428 -0.028 -3.625 5.942 1.00 0.00 C ATOM 675 OG1 THR A 428 1.283 -3.071 5.825 1.00 0.00 O ATOM 676 CG2 THR A 428 0.084 -5.044 6.373 1.00 0.00 C ATOM 0 H THR A 428 -2.064 -5.161 4.301 1.00 0.00 H new ATOM 0 HA THR A 428 -1.094 -2.463 4.481 1.00 0.00 H new ATOM 0 HB THR A 428 -0.569 -3.044 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 428 1.924 -3.645 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.669 -5.100 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 428 -0.912 -5.450 6.552 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.577 -5.624 5.592 1.00 0.00 H new ATOM 684 N VAL A 429 1.118 -3.423 3.302 1.00 0.00 N ATOM 685 CA VAL A 429 1.990 -3.695 2.183 1.00 0.00 C ATOM 686 C VAL A 429 3.410 -3.316 2.534 1.00 0.00 C ATOM 687 O VAL A 429 3.642 -2.367 3.285 1.00 0.00 O ATOM 688 CB VAL A 429 1.519 -2.940 0.926 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.470 -1.438 1.165 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.380 -3.256 -0.263 1.00 0.00 C ATOM 0 H VAL A 429 1.495 -2.741 3.960 1.00 0.00 H new ATOM 0 HA VAL A 429 1.955 -4.762 1.964 1.00 0.00 H new ATOM 0 HB VAL A 429 0.507 -3.282 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.134 -0.936 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.777 -1.221 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.464 -1.079 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 429 2.018 -2.705 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.410 -2.967 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.338 -4.326 -0.468 1.00 0.00 H new ATOM 700 N THR A 430 4.364 -4.084 2.032 1.00 0.00 N ATOM 701 CA THR A 430 5.737 -3.850 2.376 1.00 0.00 C ATOM 702 C THR A 430 6.624 -3.760 1.150 1.00 0.00 C ATOM 703 O THR A 430 6.300 -4.296 0.094 1.00 0.00 O ATOM 704 CB THR A 430 6.284 -4.939 3.314 1.00 0.00 C ATOM 705 OG1 THR A 430 6.757 -6.062 2.558 1.00 0.00 O ATOM 706 CG2 THR A 430 5.218 -5.430 4.275 1.00 0.00 C ATOM 0 H THR A 430 4.205 -4.863 1.393 1.00 0.00 H new ATOM 0 HA THR A 430 5.756 -2.891 2.894 1.00 0.00 H new ATOM 0 HB THR A 430 7.102 -4.492 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.103 -6.745 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.639 -6.199 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.864 -4.597 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.384 -5.847 3.711 1.00 0.00 H new ATOM 714 N CYS A 431 7.743 -3.072 1.307 1.00 0.00 N ATOM 715 CA CYS A 431 8.664 -2.843 0.212 1.00 0.00 C ATOM 716 C CYS A 431 9.663 -3.986 0.095 1.00 0.00 C ATOM 717 O CYS A 431 10.621 -4.072 0.866 1.00 0.00 O ATOM 718 CB CYS A 431 9.401 -1.517 0.421 1.00 0.00 C ATOM 719 SG CYS A 431 10.551 -1.073 -0.921 1.00 0.00 S ATOM 0 H CYS A 431 8.035 -2.660 2.193 1.00 0.00 H new ATOM 0 HA CYS A 431 8.093 -2.794 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.665 -0.720 0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.957 -1.568 1.357 1.00 0.00 H new ATOM 724 N MET A 432 9.420 -4.873 -0.854 1.00 0.00 N ATOM 725 CA MET A 432 10.353 -5.941 -1.158 1.00 0.00 C ATOM 726 C MET A 432 11.309 -5.447 -2.248 1.00 0.00 C ATOM 727 O MET A 432 11.348 -4.247 -2.528 1.00 0.00 O ATOM 728 CB MET A 432 9.594 -7.209 -1.582 1.00 0.00 C ATOM 729 CG MET A 432 9.224 -7.252 -3.050 1.00 0.00 C ATOM 730 SD MET A 432 8.077 -8.586 -3.455 1.00 0.00 S ATOM 731 CE MET A 432 9.002 -10.021 -2.912 1.00 0.00 C ATOM 0 H MET A 432 8.578 -4.873 -1.430 1.00 0.00 H new ATOM 0 HA MET A 432 10.935 -6.207 -0.275 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.206 -8.080 -1.348 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.684 -7.290 -0.987 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.778 -6.299 -3.334 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.131 -7.368 -3.643 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.513 -10.926 -3.272 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.015 -9.973 -3.311 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.041 -10.038 -1.823 1.00 0.00 H new ATOM 741 N GLU A 433 12.074 -6.340 -2.860 1.00 0.00 N ATOM 742 CA GLU A 433 13.041 -5.933 -3.874 1.00 0.00 C ATOM 743 C GLU A 433 12.342 -5.282 -5.057 1.00 0.00 C ATOM 744 O GLU A 433 12.697 -4.182 -5.477 1.00 0.00 O ATOM 745 CB GLU A 433 13.864 -7.124 -4.350 1.00 0.00 C ATOM 746 CG GLU A 433 14.835 -6.777 -5.465 1.00 0.00 C ATOM 747 CD GLU A 433 15.914 -7.815 -5.642 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.581 -8.990 -5.899 1.00 0.00 O ATOM 749 OE2 GLU A 433 17.106 -7.459 -5.524 1.00 0.00 O ATOM 0 H GLU A 433 12.046 -7.343 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 433 13.712 -5.205 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 433 14.421 -7.532 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 433 13.190 -7.908 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.285 -6.668 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.296 -5.812 -5.252 1.00 0.00 H new ATOM 756 N ASN A 434 11.338 -5.963 -5.572 1.00 0.00 N ATOM 757 CA ASN A 434 10.569 -5.459 -6.703 1.00 0.00 C ATOM 758 C ASN A 434 9.417 -4.568 -6.235 1.00 0.00 C ATOM 759 O ASN A 434 8.362 -4.506 -6.870 1.00 0.00 O ATOM 760 CB ASN A 434 10.055 -6.624 -7.561 1.00 0.00 C ATOM 761 CG ASN A 434 9.289 -7.659 -6.757 1.00 0.00 C ATOM 762 OD1 ASN A 434 9.878 -8.578 -6.189 1.00 0.00 O ATOM 763 ND2 ASN A 434 7.975 -7.527 -6.710 1.00 0.00 N ATOM 0 H ASN A 434 11.031 -6.872 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 434 11.227 -4.845 -7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 434 9.410 -6.232 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.900 -7.106 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 434 7.413 -8.201 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 434 7.523 -6.751 -7.194 1.00 0.00 H new ATOM 770 N GLY A 435 9.628 -3.874 -5.121 1.00 0.00 N ATOM 771 CA GLY A 435 8.653 -2.915 -4.640 1.00 0.00 C ATOM 772 C GLY A 435 7.686 -3.503 -3.638 1.00 0.00 C ATOM 773 O GLY A 435 7.935 -4.563 -3.075 1.00 0.00 O ATOM 0 H GLY A 435 10.462 -3.960 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.175 -2.074 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.093 -2.519 -5.487 1.00 0.00 H new ATOM 777 N TRP A 436 6.586 -2.799 -3.409 1.00 0.00 N ATOM 778 CA TRP A 436 5.522 -3.262 -2.526 1.00 0.00 C ATOM 779 C TRP A 436 5.084 -4.683 -2.912 1.00 0.00 C ATOM 780 O TRP A 436 4.569 -4.916 -4.008 1.00 0.00 O ATOM 781 CB TRP A 436 4.339 -2.302 -2.625 1.00 0.00 C ATOM 782 CG TRP A 436 4.653 -0.886 -2.237 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.658 0.205 -3.060 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.999 -0.409 -0.933 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.975 1.332 -2.344 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.191 0.983 -1.037 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.162 -1.019 0.314 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.535 1.771 0.060 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.505 -0.236 1.400 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.687 1.146 1.267 1.00 0.00 C ATOM 0 H TRP A 436 6.405 -1.888 -3.831 1.00 0.00 H new ATOM 0 HA TRP A 436 5.890 -3.286 -1.500 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.965 -2.311 -3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.534 -2.670 -1.989 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.444 0.183 -4.118 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.039 2.277 -2.724 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.022 -2.084 0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.676 2.837 -0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.635 -0.698 2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.953 1.730 2.135 1.00 0.00 H new ATOM 801 N SER A 437 5.289 -5.618 -1.990 1.00 0.00 N ATOM 802 CA SER A 437 5.107 -7.043 -2.254 1.00 0.00 C ATOM 803 C SER A 437 3.627 -7.429 -2.373 1.00 0.00 C ATOM 804 O SER A 437 3.228 -7.998 -3.391 1.00 0.00 O ATOM 805 CB SER A 437 5.821 -7.866 -1.179 1.00 0.00 C ATOM 806 OG SER A 437 5.473 -9.237 -1.241 1.00 0.00 O ATOM 0 H SER A 437 5.587 -5.410 -1.037 1.00 0.00 H new ATOM 0 HA SER A 437 5.556 -7.267 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.899 -7.760 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.569 -7.472 -0.194 1.00 0.00 H new ATOM 0 HG SER A 437 5.951 -9.728 -0.540 1.00 0.00 H new ATOM 812 N PRO A 438 2.784 -7.135 -1.356 1.00 0.00 N ATOM 813 CA PRO A 438 1.339 -7.348 -1.457 1.00 0.00 C ATOM 814 C PRO A 438 0.744 -6.569 -2.623 1.00 0.00 C ATOM 815 O PRO A 438 -0.253 -6.985 -3.213 1.00 0.00 O ATOM 816 CB PRO A 438 0.798 -6.793 -0.140 1.00 0.00 C ATOM 817 CG PRO A 438 1.938 -6.843 0.800 1.00 0.00 C ATOM 818 CD PRO A 438 3.156 -6.605 -0.034 1.00 0.00 C ATOM 0 HA PRO A 438 1.090 -8.396 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.434 -5.773 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.039 -7.389 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.840 -6.084 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.990 -7.809 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.406 -5.545 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 438 4.027 -7.119 0.373 1.00 0.00 H new ATOM 826 N THR A 439 1.394 -5.453 -2.948 1.00 0.00 N ATOM 827 CA THR A 439 0.941 -4.544 -3.992 1.00 0.00 C ATOM 828 C THR A 439 -0.287 -3.757 -3.522 1.00 0.00 C ATOM 829 O THR A 439 -1.390 -4.295 -3.406 1.00 0.00 O ATOM 830 CB THR A 439 0.639 -5.293 -5.308 1.00 0.00 C ATOM 831 OG1 THR A 439 1.780 -6.081 -5.679 1.00 0.00 O ATOM 832 CG2 THR A 439 0.309 -4.319 -6.430 1.00 0.00 C ATOM 0 H THR A 439 2.255 -5.155 -2.490 1.00 0.00 H new ATOM 0 HA THR A 439 1.750 -3.842 -4.194 1.00 0.00 H new ATOM 0 HB THR A 439 -0.226 -5.937 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.590 -6.559 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.101 -4.874 -7.344 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.567 -3.731 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.156 -3.653 -6.595 1.00 0.00 H new ATOM 840 N PRO A 440 -0.095 -2.460 -3.234 1.00 0.00 N ATOM 841 CA PRO A 440 -1.140 -1.611 -2.674 1.00 0.00 C ATOM 842 C PRO A 440 -2.129 -1.125 -3.728 1.00 0.00 C ATOM 843 O PRO A 440 -1.889 -0.138 -4.431 1.00 0.00 O ATOM 844 CB PRO A 440 -0.361 -0.442 -2.073 1.00 0.00 C ATOM 845 CG PRO A 440 0.900 -0.355 -2.868 1.00 0.00 C ATOM 846 CD PRO A 440 1.158 -1.722 -3.450 1.00 0.00 C ATOM 0 HA PRO A 440 -1.755 -2.144 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.931 0.485 -2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.149 -0.612 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.805 0.388 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.732 -0.043 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.405 -1.661 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.997 -2.212 -2.955 1.00 0.00 H new ATOM 854 N ARG A 441 -3.236 -1.837 -3.837 1.00 0.00 N ATOM 855 CA ARG A 441 -4.298 -1.485 -4.765 1.00 0.00 C ATOM 856 C ARG A 441 -5.627 -2.047 -4.274 1.00 0.00 C ATOM 857 O ARG A 441 -5.943 -3.217 -4.489 1.00 0.00 O ATOM 858 CB ARG A 441 -3.982 -1.996 -6.178 1.00 0.00 C ATOM 859 CG ARG A 441 -3.478 -3.434 -6.215 1.00 0.00 C ATOM 860 CD ARG A 441 -3.273 -3.925 -7.638 1.00 0.00 C ATOM 861 NE ARG A 441 -2.327 -3.094 -8.382 1.00 0.00 N ATOM 862 CZ ARG A 441 -1.961 -3.332 -9.638 1.00 0.00 C ATOM 863 NH1 ARG A 441 -2.365 -4.435 -10.254 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.163 -2.482 -10.264 1.00 0.00 N ATOM 0 H ARG A 441 -3.425 -2.674 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.372 -0.399 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.880 -1.920 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.232 -1.347 -6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.538 -3.504 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.192 -4.082 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.911 -4.953 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -4.231 -3.935 -8.158 1.00 0.00 H new ATOM 0 HE ARG A 441 -1.924 -2.284 -7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.959 -5.104 -9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -2.082 -4.614 -11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -0.830 -1.646 -9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -0.881 -2.662 -11.227 1.00 0.00 H new ATOM 878 N CYS A 442 -6.385 -1.214 -3.580 1.00 0.00 N ATOM 879 CA CYS A 442 -7.668 -1.626 -3.029 1.00 0.00 C ATOM 880 C CYS A 442 -8.702 -1.805 -4.132 1.00 0.00 C ATOM 881 O CYS A 442 -9.260 -0.830 -4.635 1.00 0.00 O ATOM 882 CB CYS A 442 -8.172 -0.598 -2.013 1.00 0.00 C ATOM 883 SG CYS A 442 -7.043 -0.319 -0.611 1.00 0.00 S ATOM 0 H CYS A 442 -6.134 -0.245 -3.384 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.523 -2.583 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.339 0.350 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.137 -0.927 -1.628 1.00 0.00 H new ATOM 888 N ILE A 443 -8.943 -3.052 -4.508 1.00 0.00 N ATOM 889 CA ILE A 443 -9.956 -3.363 -5.489 1.00 0.00 C ATOM 890 C ILE A 443 -11.338 -3.239 -4.868 1.00 0.00 C ATOM 891 O ILE A 443 -11.504 -3.394 -3.655 1.00 0.00 O ATOM 892 CB ILE A 443 -9.776 -4.779 -6.065 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.656 -5.817 -4.947 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.564 -4.826 -6.986 1.00 0.00 C ATOM 895 CD1 ILE A 443 -9.679 -7.250 -5.441 1.00 0.00 C ATOM 0 H ILE A 443 -8.445 -3.864 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.852 -2.649 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.662 -5.026 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.728 -5.645 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -10.473 -5.673 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.450 -5.834 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.704 -4.123 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.670 -4.555 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -9.590 -7.929 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -10.618 -7.441 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.846 -7.412 -6.125 1.00 0.00 H new ATOM 907 N ARG A 444 -12.322 -2.944 -5.692 1.00 0.00 N ATOM 908 CA ARG A 444 -13.654 -2.729 -5.226 1.00 0.00 C ATOM 909 C ARG A 444 -14.418 -4.030 -5.144 1.00 0.00 C ATOM 910 O ARG A 444 -14.509 -4.784 -6.113 1.00 0.00 O ATOM 911 CB ARG A 444 -14.353 -1.742 -6.146 1.00 0.00 C ATOM 912 CG ARG A 444 -15.754 -1.454 -5.709 1.00 0.00 C ATOM 913 CD ARG A 444 -16.340 -0.255 -6.430 1.00 0.00 C ATOM 914 NE ARG A 444 -17.693 0.037 -5.974 1.00 0.00 N ATOM 915 CZ ARG A 444 -18.265 1.233 -6.038 1.00 0.00 C ATOM 916 NH1 ARG A 444 -17.590 2.277 -6.510 1.00 0.00 N ATOM 917 NH2 ARG A 444 -19.505 1.387 -5.603 1.00 0.00 N ATOM 0 H ARG A 444 -12.209 -2.849 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.617 -2.313 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.786 -0.812 -6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.366 -2.140 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.378 -2.328 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.768 -1.273 -4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -15.704 0.615 -6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.350 -0.444 -7.503 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.237 -0.730 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -16.627 2.161 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.035 3.193 -6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.014 0.590 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.951 2.303 -5.649 1.00 0.00 H new ATOM 931 N VAL A 445 -14.957 -4.283 -3.969 1.00 0.00 N ATOM 932 CA VAL A 445 -15.700 -5.490 -3.717 1.00 0.00 C ATOM 933 C VAL A 445 -17.190 -5.167 -3.586 1.00 0.00 C ATOM 934 O VAL A 445 -18.044 -6.053 -3.630 1.00 0.00 O ATOM 935 CB VAL A 445 -15.173 -6.190 -2.446 1.00 0.00 C ATOM 936 CG1 VAL A 445 -15.621 -5.463 -1.186 1.00 0.00 C ATOM 937 CG2 VAL A 445 -15.586 -7.654 -2.417 1.00 0.00 C ATOM 0 H VAL A 445 -14.890 -3.656 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 445 -15.567 -6.172 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 445 -14.084 -6.153 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -15.233 -5.982 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.241 -4.441 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.710 -5.445 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -15.201 -8.123 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -16.674 -7.726 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -15.179 -8.164 -3.290 1.00 0.00 H new ATOM 947 N LYS A 446 -17.490 -3.880 -3.442 1.00 0.00 N ATOM 948 CA LYS A 446 -18.863 -3.412 -3.355 1.00 0.00 C ATOM 949 C LYS A 446 -19.073 -2.198 -4.248 1.00 0.00 C ATOM 950 O LYS A 446 -19.034 -2.361 -5.484 1.00 0.00 O ATOM 951 CB LYS A 446 -19.224 -3.083 -1.907 1.00 0.00 C ATOM 952 CG LYS A 446 -19.663 -4.296 -1.109 1.00 0.00 C ATOM 953 CD LYS A 446 -20.900 -4.915 -1.733 1.00 0.00 C ATOM 954 CE LYS A 446 -21.308 -6.204 -1.048 1.00 0.00 C ATOM 955 NZ LYS A 446 -22.517 -6.781 -1.688 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.272 -1.089 -3.719 1.00 0.00 O ATOM 0 H LYS A 446 -16.791 -3.139 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 446 -19.521 -4.209 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.362 -2.628 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -20.023 -2.342 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.858 -5.030 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.872 -4.006 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -21.724 -4.203 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.712 -5.111 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -20.489 -6.921 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -21.505 -6.014 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.779 -7.663 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -23.303 -6.103 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -22.318 -6.982 -2.689 1.00 0.00 H new TER 970 LYS A 446