USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 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 408 GLN : amide:sc= -4.93! C(o=-5.8!,f=-3.7!) USER MOD Set 1.2: A 432 MET CE :methyl -124:sc= -0.822 (180deg=-1.26!) USER MOD Set 2.1: A 411 SER OG : rot 180:sc= 0.657 USER MOD Set 2.2: A 428 THR OG1 : rot -132:sc= -0.302 USER MOD Single : A 388 LYS NZ :NH3+ -129:sc= -0.0921 (180deg=-0.552) USER MOD Single : A 390 TYR OH : rot -153:sc= -0.329 USER MOD Single : A 393 TYR OH : rot -170:sc= 1.25 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0.067) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.65) USER MOD Single : A 400 GLN : amide:sc= -0.0158 K(o=-0.016,f=-0.98) USER MOD Single : A 401 ASN : amide:sc= 0.979 K(o=0.98,f=-6.8!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 158:sc= -1.36 (180deg=-2.38!) USER MOD Single : A 410 LYS NZ :NH3+ 163:sc= -0.0276 (180deg=-0.236) USER MOD Single : A 417 HIS : no HD1:sc= -1.64 K(o=-1.6,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= -0.276 K(o=-0.28,f=-6.4!) USER MOD Single : A 427 THR OG1 : rot 109:sc= 1.28 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 ASN : amide:sc= 1.12 K(o=1.1,f=-0.16) USER MOD Single : A 437 SER OG : rot -108:sc= -3.91! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ -143:sc= -0.115 (180deg=-0.548) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.368 -3.024 -2.703 1.00 0.00 N ATOM 2 CA LEU A 386 18.193 -1.940 -1.767 1.00 0.00 C ATOM 3 C LEU A 386 17.348 -0.847 -2.395 1.00 0.00 C ATOM 4 O LEU A 386 17.800 0.272 -2.638 1.00 0.00 O ATOM 5 CB LEU A 386 19.528 -1.393 -1.316 1.00 0.00 C ATOM 6 CG LEU A 386 20.419 -2.374 -0.547 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.711 -1.694 -0.112 1.00 0.00 C ATOM 8 CD2 LEU A 386 19.683 -2.939 0.661 1.00 0.00 C ATOM 0 HA LEU A 386 17.677 -2.321 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 386 20.073 -1.046 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.349 -0.522 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 386 20.669 -3.200 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.331 -2.406 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 386 22.250 -1.341 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.477 -0.848 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 386 20.334 -3.633 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 386 19.400 -2.125 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 386 18.788 -3.464 0.329 1.00 0.00 H new ATOM 20 N ARG A 387 16.111 -1.204 -2.650 1.00 0.00 N ATOM 21 CA ARG A 387 15.166 -0.331 -3.317 1.00 0.00 C ATOM 22 C ARG A 387 14.302 0.398 -2.322 1.00 0.00 C ATOM 23 O ARG A 387 13.996 -0.111 -1.244 1.00 0.00 O ATOM 24 CB ARG A 387 14.287 -1.124 -4.273 1.00 0.00 C ATOM 25 CG ARG A 387 14.987 -1.493 -5.557 1.00 0.00 C ATOM 26 CD ARG A 387 14.519 -0.632 -6.714 1.00 0.00 C ATOM 27 NE ARG A 387 14.527 -1.359 -7.980 1.00 0.00 N ATOM 28 CZ ARG A 387 14.502 -0.772 -9.175 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.639 0.544 -9.272 1.00 0.00 N ATOM 30 NH2 ARG A 387 14.378 -1.508 -10.270 1.00 0.00 N ATOM 0 H ARG A 387 15.727 -2.115 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 387 15.739 0.403 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.950 -2.034 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.397 -0.540 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.064 -1.380 -5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.801 -2.543 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.511 -0.270 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.162 0.244 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 387 14.553 -2.378 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.764 1.107 -8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 387 14.620 0.993 -10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 387 14.302 -2.523 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 387 14.359 -1.060 -11.186 1.00 0.00 H new ATOM 44 N LYS A 388 13.910 1.589 -2.706 1.00 0.00 N ATOM 45 CA LYS A 388 13.107 2.449 -1.855 1.00 0.00 C ATOM 46 C LYS A 388 11.766 2.733 -2.511 1.00 0.00 C ATOM 47 O LYS A 388 11.682 3.481 -3.485 1.00 0.00 O ATOM 48 CB LYS A 388 13.837 3.762 -1.559 1.00 0.00 C ATOM 49 CG LYS A 388 14.869 3.682 -0.435 1.00 0.00 C ATOM 50 CD LYS A 388 15.982 2.683 -0.731 1.00 0.00 C ATOM 51 CE LYS A 388 17.123 2.806 0.266 1.00 0.00 C ATOM 52 NZ LYS A 388 17.773 4.138 0.187 1.00 0.00 N ATOM 0 H LYS A 388 14.136 1.993 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 388 12.938 1.931 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.336 4.097 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.099 4.522 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.304 4.669 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.370 3.400 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.580 1.670 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.360 2.847 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.745 2.644 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.861 2.028 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.802 4.017 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.409 4.654 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.565 4.678 1.051 1.00 0.00 H new ATOM 66 N CYS A 389 10.728 2.117 -1.977 1.00 0.00 N ATOM 67 CA CYS A 389 9.381 2.251 -2.502 1.00 0.00 C ATOM 68 C CYS A 389 8.777 3.607 -2.161 1.00 0.00 C ATOM 69 O CYS A 389 8.987 4.141 -1.069 1.00 0.00 O ATOM 70 CB CYS A 389 8.507 1.145 -1.921 1.00 0.00 C ATOM 71 SG CYS A 389 8.612 1.019 -0.117 1.00 0.00 S ATOM 0 H CYS A 389 10.795 1.506 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 389 9.428 2.169 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.470 1.324 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.799 0.192 -2.362 1.00 0.00 H new ATOM 76 N TYR A 390 8.038 4.159 -3.107 1.00 0.00 N ATOM 77 CA TYR A 390 7.271 5.368 -2.879 1.00 0.00 C ATOM 78 C TYR A 390 5.809 4.991 -2.684 1.00 0.00 C ATOM 79 O TYR A 390 5.248 4.234 -3.478 1.00 0.00 O ATOM 80 CB TYR A 390 7.427 6.329 -4.065 1.00 0.00 C ATOM 81 CG TYR A 390 6.641 7.615 -3.927 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.107 8.656 -3.133 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.432 7.785 -4.590 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.391 9.831 -3.006 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.711 8.956 -4.467 1.00 0.00 C ATOM 86 CZ TYR A 390 5.193 9.976 -3.676 1.00 0.00 C ATOM 87 OH TYR A 390 4.475 11.142 -3.550 1.00 0.00 O ATOM 0 H TYR A 390 7.954 3.782 -4.051 1.00 0.00 H new ATOM 0 HA TYR A 390 7.638 5.875 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.483 6.572 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.112 5.819 -4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.044 8.545 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.050 6.989 -5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.767 10.631 -2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.773 9.072 -4.989 1.00 0.00 H new ATOM 0 HH TYR A 390 3.523 10.957 -3.692 1.00 0.00 H new ATOM 97 N PHE A 391 5.203 5.474 -1.613 1.00 0.00 N ATOM 98 CA PHE A 391 3.807 5.177 -1.349 1.00 0.00 C ATOM 99 C PHE A 391 2.916 6.127 -2.142 1.00 0.00 C ATOM 100 O PHE A 391 2.903 7.337 -1.894 1.00 0.00 O ATOM 101 CB PHE A 391 3.505 5.280 0.146 1.00 0.00 C ATOM 102 CG PHE A 391 2.233 4.587 0.548 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.008 5.220 0.422 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.267 3.298 1.049 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.159 4.581 0.791 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.104 2.654 1.419 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.111 3.297 1.290 1.00 0.00 C ATOM 0 H PHE A 391 5.652 6.069 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 391 3.601 4.154 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.336 4.852 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.440 6.332 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.965 6.226 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.214 2.790 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.108 5.086 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.144 1.648 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.022 2.795 1.580 1.00 0.00 H new ATOM 117 N PRO A 392 2.170 5.584 -3.115 1.00 0.00 N ATOM 118 CA PRO A 392 1.362 6.376 -4.032 1.00 0.00 C ATOM 119 C PRO A 392 -0.026 6.704 -3.487 1.00 0.00 C ATOM 120 O PRO A 392 -0.376 6.363 -2.354 1.00 0.00 O ATOM 121 CB PRO A 392 1.257 5.457 -5.246 1.00 0.00 C ATOM 122 CG PRO A 392 1.259 4.078 -4.676 1.00 0.00 C ATOM 123 CD PRO A 392 2.059 4.141 -3.398 1.00 0.00 C ATOM 0 HA PRO A 392 1.805 7.351 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.346 5.651 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.094 5.605 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.242 3.738 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.702 3.370 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.557 3.613 -2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.040 3.682 -3.519 1.00 0.00 H new ATOM 131 N TYR A 393 -0.808 7.367 -4.321 1.00 0.00 N ATOM 132 CA TYR A 393 -2.144 7.806 -3.960 1.00 0.00 C ATOM 133 C TYR A 393 -3.173 6.742 -4.319 1.00 0.00 C ATOM 134 O TYR A 393 -3.325 6.380 -5.486 1.00 0.00 O ATOM 135 CB TYR A 393 -2.446 9.124 -4.684 1.00 0.00 C ATOM 136 CG TYR A 393 -3.889 9.568 -4.642 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.409 10.224 -3.536 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.728 9.341 -5.724 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.727 10.640 -3.511 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.043 9.754 -5.708 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.539 10.402 -4.599 1.00 0.00 C ATOM 142 OH TYR A 393 -7.852 10.818 -4.581 1.00 0.00 O ATOM 0 H TYR A 393 -0.533 7.617 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.198 7.965 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.829 9.909 -4.247 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.144 9.024 -5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.775 10.412 -2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.343 8.831 -6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.119 11.149 -2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.680 9.570 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.326 10.437 -5.349 1.00 0.00 H new ATOM 152 N LEU A 394 -3.863 6.227 -3.311 1.00 0.00 N ATOM 153 CA LEU A 394 -4.936 5.272 -3.542 1.00 0.00 C ATOM 154 C LEU A 394 -6.225 6.026 -3.804 1.00 0.00 C ATOM 155 O LEU A 394 -6.769 6.664 -2.902 1.00 0.00 O ATOM 156 CB LEU A 394 -5.133 4.319 -2.348 1.00 0.00 C ATOM 157 CG LEU A 394 -3.949 3.406 -2.002 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.405 2.735 -3.253 1.00 0.00 C ATOM 159 CD2 LEU A 394 -2.852 4.172 -1.280 1.00 0.00 C ATOM 0 H LEU A 394 -3.700 6.453 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.663 4.665 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.371 4.917 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.001 3.691 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.312 2.631 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.566 2.092 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.189 2.135 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.069 3.496 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.028 3.497 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.492 4.979 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.249 4.590 -0.355 1.00 0.00 H new ATOM 171 N GLU A 395 -6.698 5.963 -5.039 1.00 0.00 N ATOM 172 CA GLU A 395 -7.936 6.622 -5.416 1.00 0.00 C ATOM 173 C GLU A 395 -9.110 5.950 -4.716 1.00 0.00 C ATOM 174 O GLU A 395 -10.115 6.586 -4.403 1.00 0.00 O ATOM 175 CB GLU A 395 -8.120 6.565 -6.935 1.00 0.00 C ATOM 176 CG GLU A 395 -9.283 7.395 -7.445 1.00 0.00 C ATOM 177 CD GLU A 395 -9.077 8.879 -7.228 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.415 9.383 -6.137 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.571 9.553 -8.149 1.00 0.00 O ATOM 0 H GLU A 395 -6.240 5.460 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.893 7.667 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.204 6.908 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.268 5.527 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.423 7.203 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.197 7.081 -6.941 1.00 0.00 H new ATOM 186 N ASN A 396 -8.958 4.659 -4.454 1.00 0.00 N ATOM 187 CA ASN A 396 -9.985 3.888 -3.772 1.00 0.00 C ATOM 188 C ASN A 396 -9.619 3.713 -2.301 1.00 0.00 C ATOM 189 O ASN A 396 -10.201 2.889 -1.590 1.00 0.00 O ATOM 190 CB ASN A 396 -10.159 2.519 -4.440 1.00 0.00 C ATOM 191 CG ASN A 396 -10.521 2.626 -5.911 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.696 2.701 -6.271 1.00 0.00 O ATOM 193 ND2 ASN A 396 -9.512 2.625 -6.770 1.00 0.00 N ATOM 0 H ASN A 396 -8.128 4.122 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.929 4.429 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.235 1.950 -4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -10.937 1.961 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -9.695 2.688 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -8.553 2.561 -6.430 1.00 0.00 H new ATOM 200 N GLY A 397 -8.668 4.514 -1.840 1.00 0.00 N ATOM 201 CA GLY A 397 -8.212 4.413 -0.470 1.00 0.00 C ATOM 202 C GLY A 397 -8.098 5.764 0.200 1.00 0.00 C ATOM 203 O GLY A 397 -8.391 6.787 -0.411 1.00 0.00 O ATOM 0 H GLY A 397 -8.203 5.234 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.903 3.787 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.242 3.917 -0.448 1.00 0.00 H new ATOM 207 N TYR A 398 -7.669 5.771 1.456 1.00 0.00 N ATOM 208 CA TYR A 398 -7.567 7.005 2.222 1.00 0.00 C ATOM 209 C TYR A 398 -6.193 7.655 2.069 1.00 0.00 C ATOM 210 O TYR A 398 -5.937 8.723 2.626 1.00 0.00 O ATOM 211 CB TYR A 398 -7.851 6.738 3.701 1.00 0.00 C ATOM 212 CG TYR A 398 -9.294 6.391 4.003 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.744 5.079 3.938 1.00 0.00 C ATOM 214 CD2 TYR A 398 -10.204 7.377 4.361 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.056 4.759 4.222 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.520 7.066 4.645 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.940 5.753 4.574 1.00 0.00 C ATOM 218 OH TYR A 398 -13.247 5.432 4.867 1.00 0.00 O ATOM 0 H TYR A 398 -7.386 4.934 1.966 1.00 0.00 H new ATOM 0 HA TYR A 398 -8.312 7.696 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.214 5.921 4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.573 7.620 4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.055 4.295 3.660 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.877 8.405 4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.388 3.733 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -12.215 7.845 4.921 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.740 6.247 5.098 1.00 0.00 H new ATOM 228 N ASN A 399 -5.321 6.976 1.301 1.00 0.00 N ATOM 229 CA ASN A 399 -3.968 7.460 0.941 1.00 0.00 C ATOM 230 C ASN A 399 -3.242 8.138 2.100 1.00 0.00 C ATOM 231 O ASN A 399 -2.534 9.121 1.905 1.00 0.00 O ATOM 232 CB ASN A 399 -4.010 8.399 -0.281 1.00 0.00 C ATOM 233 CG ASN A 399 -5.129 9.428 -0.233 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.966 10.520 0.307 1.00 0.00 O ATOM 235 ND2 ASN A 399 -6.274 9.088 -0.812 1.00 0.00 N ATOM 0 H ASN A 399 -5.537 6.061 0.905 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.397 6.568 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.055 8.919 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -4.121 7.799 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -7.056 9.743 -0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.372 8.172 -1.250 1.00 0.00 H new ATOM 242 N GLN A 400 -3.372 7.558 3.289 1.00 0.00 N ATOM 243 CA GLN A 400 -2.833 8.140 4.516 1.00 0.00 C ATOM 244 C GLN A 400 -1.314 8.290 4.470 1.00 0.00 C ATOM 245 O GLN A 400 -0.746 9.149 5.143 1.00 0.00 O ATOM 246 CB GLN A 400 -3.213 7.262 5.703 1.00 0.00 C ATOM 247 CG GLN A 400 -4.710 7.059 5.859 1.00 0.00 C ATOM 248 CD GLN A 400 -5.047 6.048 6.935 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.287 5.111 7.185 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.190 6.225 7.574 1.00 0.00 N ATOM 0 H GLN A 400 -3.854 6.670 3.430 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.261 9.137 4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.733 6.290 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.819 7.710 6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.180 8.012 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.130 6.728 4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.790 7.014 7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.472 5.572 8.305 1.00 0.00 H new ATOM 259 N ASN A 401 -0.657 7.452 3.685 1.00 0.00 N ATOM 260 CA ASN A 401 0.798 7.439 3.663 1.00 0.00 C ATOM 261 C ASN A 401 1.338 7.886 2.321 1.00 0.00 C ATOM 262 O ASN A 401 2.500 7.640 1.996 1.00 0.00 O ATOM 263 CB ASN A 401 1.338 6.048 4.009 1.00 0.00 C ATOM 264 CG ASN A 401 0.984 5.612 5.417 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.680 5.950 6.371 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.079 4.832 5.554 1.00 0.00 N ATOM 0 H ASN A 401 -1.101 6.779 3.061 1.00 0.00 H new ATOM 0 HA ASN A 401 1.138 8.147 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.941 5.323 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.422 6.046 3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.345 4.490 6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.631 4.574 4.736 1.00 0.00 H new ATOM 273 N TYR A 402 0.496 8.551 1.551 1.00 0.00 N ATOM 274 CA TYR A 402 0.897 9.070 0.257 1.00 0.00 C ATOM 275 C TYR A 402 2.066 10.037 0.407 1.00 0.00 C ATOM 276 O TYR A 402 1.973 11.042 1.113 1.00 0.00 O ATOM 277 CB TYR A 402 -0.281 9.776 -0.404 1.00 0.00 C ATOM 278 CG TYR A 402 0.103 10.590 -1.621 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.451 9.976 -2.815 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.131 11.976 -1.566 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.811 10.719 -3.924 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.492 12.726 -2.667 1.00 0.00 C ATOM 283 CZ TYR A 402 0.831 12.093 -3.843 1.00 0.00 C ATOM 284 OH TYR A 402 1.192 12.840 -4.942 1.00 0.00 O ATOM 0 H TYR A 402 -0.474 8.745 1.801 1.00 0.00 H new ATOM 0 HA TYR A 402 1.215 8.237 -0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.023 9.032 -0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.756 10.432 0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.441 8.898 -2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.134 12.476 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.075 10.225 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.509 13.804 -2.607 1.00 0.00 H new ATOM 0 HH TYR A 402 1.153 13.793 -4.717 1.00 0.00 H new ATOM 294 N GLY A 403 3.163 9.719 -0.252 1.00 0.00 N ATOM 295 CA GLY A 403 4.323 10.587 -0.223 1.00 0.00 C ATOM 296 C GLY A 403 5.453 10.032 0.615 1.00 0.00 C ATOM 297 O GLY A 403 6.551 10.591 0.641 1.00 0.00 O ATOM 0 H GLY A 403 3.275 8.873 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.677 10.746 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 403 4.032 11.561 0.169 1.00 0.00 H new ATOM 301 N ARG A 404 5.196 8.931 1.307 1.00 0.00 N ATOM 302 CA ARG A 404 6.218 8.312 2.136 1.00 0.00 C ATOM 303 C ARG A 404 7.092 7.382 1.313 1.00 0.00 C ATOM 304 O ARG A 404 6.635 6.770 0.348 1.00 0.00 O ATOM 305 CB ARG A 404 5.594 7.527 3.284 1.00 0.00 C ATOM 306 CG ARG A 404 4.867 8.392 4.295 1.00 0.00 C ATOM 307 CD ARG A 404 4.358 7.565 5.467 1.00 0.00 C ATOM 308 NE ARG A 404 5.439 7.101 6.336 1.00 0.00 N ATOM 309 CZ ARG A 404 5.261 6.277 7.372 1.00 0.00 C ATOM 310 NH1 ARG A 404 4.046 5.836 7.681 1.00 0.00 N ATOM 311 NH2 ARG A 404 6.304 5.893 8.095 1.00 0.00 N ATOM 0 H ARG A 404 4.296 8.452 1.311 1.00 0.00 H new ATOM 0 HA ARG A 404 6.831 9.114 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.895 6.798 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.376 6.966 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.538 9.170 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.030 8.895 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.657 8.161 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 404 3.806 6.705 5.088 1.00 0.00 H new ATOM 0 HE ARG A 404 6.386 7.426 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.241 6.127 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.918 5.207 8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 404 7.239 6.227 7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 404 6.172 5.264 8.887 1.00 0.00 H new ATOM 325 N LYS A 405 8.355 7.300 1.695 1.00 0.00 N ATOM 326 CA LYS A 405 9.286 6.378 1.078 1.00 0.00 C ATOM 327 C LYS A 405 9.816 5.394 2.104 1.00 0.00 C ATOM 328 O LYS A 405 10.211 5.777 3.207 1.00 0.00 O ATOM 329 CB LYS A 405 10.431 7.142 0.422 1.00 0.00 C ATOM 330 CG LYS A 405 10.085 7.663 -0.962 1.00 0.00 C ATOM 331 CD LYS A 405 11.209 8.497 -1.562 1.00 0.00 C ATOM 332 CE LYS A 405 11.171 9.951 -1.107 1.00 0.00 C ATOM 333 NZ LYS A 405 11.368 10.109 0.359 1.00 0.00 N ATOM 0 H LYS A 405 8.760 7.869 2.438 1.00 0.00 H new ATOM 0 HA LYS A 405 8.760 5.816 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.712 7.980 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.301 6.490 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.868 6.822 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.179 8.266 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 405 12.168 8.059 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.143 8.459 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.944 10.511 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 405 10.213 10.389 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.701 11.073 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 10.467 9.943 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.075 9.422 0.690 1.00 0.00 H new ATOM 347 N PHE A 406 9.814 4.131 1.732 1.00 0.00 N ATOM 348 CA PHE A 406 10.230 3.061 2.627 1.00 0.00 C ATOM 349 C PHE A 406 11.345 2.245 1.989 1.00 0.00 C ATOM 350 O PHE A 406 11.528 2.268 0.773 1.00 0.00 O ATOM 351 CB PHE A 406 9.050 2.134 2.957 1.00 0.00 C ATOM 352 CG PHE A 406 7.955 2.772 3.767 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.025 3.615 3.176 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.848 2.513 5.123 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.011 4.184 3.926 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.839 3.082 5.874 1.00 0.00 C ATOM 357 CZ PHE A 406 5.920 3.917 5.273 1.00 0.00 C ATOM 0 H PHE A 406 9.526 3.814 0.806 1.00 0.00 H new ATOM 0 HA PHE A 406 10.591 3.516 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.624 1.764 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.427 1.268 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 406 7.093 3.829 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.563 1.858 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 406 5.291 4.837 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.769 2.874 6.931 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.129 4.361 5.859 1.00 0.00 H new ATOM 367 N VAL A 407 12.093 1.538 2.818 1.00 0.00 N ATOM 368 CA VAL A 407 13.119 0.633 2.327 1.00 0.00 C ATOM 369 C VAL A 407 12.532 -0.761 2.165 1.00 0.00 C ATOM 370 O VAL A 407 11.634 -1.153 2.910 1.00 0.00 O ATOM 371 CB VAL A 407 14.342 0.585 3.272 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.016 1.945 3.338 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.944 0.120 4.665 1.00 0.00 C ATOM 0 H VAL A 407 12.010 1.573 3.834 1.00 0.00 H new ATOM 0 HA VAL A 407 13.464 1.005 1.362 1.00 0.00 H new ATOM 0 HB VAL A 407 15.051 -0.137 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.875 1.893 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.350 2.234 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.308 2.684 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.825 0.097 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.210 0.809 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.512 -0.879 4.606 1.00 0.00 H new ATOM 383 N GLN A 408 13.009 -1.492 1.172 1.00 0.00 N ATOM 384 CA GLN A 408 12.503 -2.832 0.905 1.00 0.00 C ATOM 385 C GLN A 408 12.716 -3.742 2.110 1.00 0.00 C ATOM 386 O GLN A 408 13.778 -3.733 2.732 1.00 0.00 O ATOM 387 CB GLN A 408 13.174 -3.417 -0.336 1.00 0.00 C ATOM 388 CG GLN A 408 12.754 -4.848 -0.642 1.00 0.00 C ATOM 389 CD GLN A 408 13.455 -5.441 -1.853 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.686 -6.644 -1.915 1.00 0.00 O ATOM 391 NE2 GLN A 408 13.789 -4.606 -2.826 1.00 0.00 N ATOM 0 H GLN A 408 13.745 -1.183 0.537 1.00 0.00 H new ATOM 0 HA GLN A 408 11.431 -2.762 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 408 12.941 -2.788 -1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.255 -3.386 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.959 -5.472 0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.677 -4.875 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.580 -3.611 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.255 -4.958 -3.663 1.00 0.00 H new ATOM 400 N GLY A 409 11.693 -4.521 2.428 1.00 0.00 N ATOM 401 CA GLY A 409 11.719 -5.344 3.617 1.00 0.00 C ATOM 402 C GLY A 409 10.849 -4.749 4.701 1.00 0.00 C ATOM 403 O GLY A 409 10.907 -5.159 5.860 1.00 0.00 O ATOM 0 H GLY A 409 10.838 -4.597 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.372 -6.349 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.743 -5.438 3.977 1.00 0.00 H new ATOM 407 N LYS A 410 10.037 -3.777 4.306 1.00 0.00 N ATOM 408 CA LYS A 410 9.192 -3.042 5.226 1.00 0.00 C ATOM 409 C LYS A 410 7.723 -3.342 4.976 1.00 0.00 C ATOM 410 O LYS A 410 7.380 -4.049 4.033 1.00 0.00 O ATOM 411 CB LYS A 410 9.448 -1.550 5.053 1.00 0.00 C ATOM 412 CG LYS A 410 10.601 -1.024 5.889 1.00 0.00 C ATOM 413 CD LYS A 410 10.341 -1.196 7.375 1.00 0.00 C ATOM 414 CE LYS A 410 11.520 -0.709 8.203 1.00 0.00 C ATOM 415 NZ LYS A 410 11.822 0.726 7.957 1.00 0.00 N ATOM 0 H LYS A 410 9.949 -3.478 3.335 1.00 0.00 H new ATOM 0 HA LYS A 410 9.432 -3.348 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.651 -1.345 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.542 -1.003 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.517 -1.548 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.760 0.031 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.444 -0.644 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.150 -2.247 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.305 -0.857 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.399 -1.309 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.421 1.091 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.322 0.825 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.934 1.267 7.923 1.00 0.00 H new ATOM 429 N SER A 411 6.863 -2.793 5.818 1.00 0.00 N ATOM 430 CA SER A 411 5.430 -2.953 5.662 1.00 0.00 C ATOM 431 C SER A 411 4.700 -1.731 6.205 1.00 0.00 C ATOM 432 O SER A 411 5.275 -0.940 6.960 1.00 0.00 O ATOM 433 CB SER A 411 4.965 -4.225 6.375 1.00 0.00 C ATOM 434 OG SER A 411 3.574 -4.439 6.220 1.00 0.00 O ATOM 0 H SER A 411 7.137 -2.229 6.622 1.00 0.00 H new ATOM 0 HA SER A 411 5.196 -3.046 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.510 -5.082 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.206 -4.155 7.436 1.00 0.00 H new ATOM 0 HG SER A 411 3.315 -5.261 6.687 1.00 0.00 H new ATOM 440 N ILE A 412 3.441 -1.585 5.814 1.00 0.00 N ATOM 441 CA ILE A 412 2.617 -0.454 6.239 1.00 0.00 C ATOM 442 C ILE A 412 1.166 -0.677 5.850 1.00 0.00 C ATOM 443 O ILE A 412 0.840 -0.938 4.688 1.00 0.00 O ATOM 444 CB ILE A 412 3.120 0.894 5.664 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.234 2.047 6.144 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.177 0.865 4.143 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.320 2.299 7.634 1.00 0.00 C ATOM 0 H ILE A 412 2.962 -2.241 5.197 1.00 0.00 H new ATOM 0 HA ILE A 412 2.697 -0.395 7.324 1.00 0.00 H new ATOM 0 HB ILE A 412 4.133 1.053 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.517 2.956 5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.199 1.833 5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.534 1.826 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.857 0.077 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.181 0.671 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.666 3.129 7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.009 1.404 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.347 2.545 7.903 1.00 0.00 H new ATOM 459 N ASP A 413 0.307 -0.581 6.844 1.00 0.00 N ATOM 460 CA ASP A 413 -1.096 -0.926 6.688 1.00 0.00 C ATOM 461 C ASP A 413 -1.838 0.190 5.958 1.00 0.00 C ATOM 462 O ASP A 413 -1.626 1.373 6.233 1.00 0.00 O ATOM 463 CB ASP A 413 -1.712 -1.177 8.060 1.00 0.00 C ATOM 464 CG ASP A 413 -3.119 -1.736 7.985 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.264 -2.978 7.931 1.00 0.00 O ATOM 466 OD2 ASP A 413 -4.082 -0.947 8.005 1.00 0.00 O ATOM 0 H ASP A 413 0.558 -0.263 7.780 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.181 -1.834 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.080 -1.871 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.728 -0.243 8.621 1.00 0.00 H new ATOM 471 N VAL A 414 -2.701 -0.185 5.032 1.00 0.00 N ATOM 472 CA VAL A 414 -3.391 0.776 4.187 1.00 0.00 C ATOM 473 C VAL A 414 -4.895 0.733 4.415 1.00 0.00 C ATOM 474 O VAL A 414 -5.532 -0.314 4.284 1.00 0.00 O ATOM 475 CB VAL A 414 -3.113 0.516 2.691 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.749 1.592 1.824 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.620 0.435 2.429 1.00 0.00 C ATOM 0 H VAL A 414 -2.943 -1.158 4.844 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.008 1.759 4.460 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.562 -0.442 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.538 1.385 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.827 1.597 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.338 2.565 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.446 0.251 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.149 1.375 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.192 -0.379 3.013 1.00 0.00 H new ATOM 487 N ALA A 415 -5.458 1.876 4.761 1.00 0.00 N ATOM 488 CA ALA A 415 -6.893 2.000 4.897 1.00 0.00 C ATOM 489 C ALA A 415 -7.514 2.412 3.567 1.00 0.00 C ATOM 490 O ALA A 415 -7.269 3.515 3.068 1.00 0.00 O ATOM 491 CB ALA A 415 -7.237 3.004 5.987 1.00 0.00 C ATOM 0 H ALA A 415 -4.939 2.733 4.953 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.304 1.032 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.320 3.086 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.818 2.669 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.819 3.977 5.730 1.00 0.00 H new ATOM 497 N CYS A 416 -8.281 1.512 2.973 1.00 0.00 N ATOM 498 CA CYS A 416 -9.025 1.825 1.769 1.00 0.00 C ATOM 499 C CYS A 416 -10.510 1.811 2.078 1.00 0.00 C ATOM 500 O CYS A 416 -10.918 1.306 3.124 1.00 0.00 O ATOM 501 CB CYS A 416 -8.660 0.857 0.632 1.00 0.00 C ATOM 502 SG CYS A 416 -6.976 1.142 -0.012 1.00 0.00 S ATOM 0 H CYS A 416 -8.403 0.556 3.308 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.758 2.824 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.739 -0.169 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.380 0.966 -0.179 1.00 0.00 H new ATOM 507 N HIS A 417 -11.316 2.398 1.202 1.00 0.00 N ATOM 508 CA HIS A 417 -12.746 2.509 1.472 1.00 0.00 C ATOM 509 C HIS A 417 -13.377 1.124 1.564 1.00 0.00 C ATOM 510 O HIS A 417 -12.927 0.182 0.914 1.00 0.00 O ATOM 511 CB HIS A 417 -13.474 3.340 0.409 1.00 0.00 C ATOM 512 CG HIS A 417 -12.958 4.741 0.255 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.427 5.805 0.995 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.002 5.250 -0.558 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.779 6.903 0.645 1.00 0.00 C ATOM 516 NE2 HIS A 417 -11.909 6.592 -0.298 1.00 0.00 N ATOM 0 H HIS A 417 -11.013 2.798 0.314 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.852 3.025 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.395 2.829 -0.551 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.534 3.382 0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.419 4.698 -1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.935 7.888 1.060 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.273 7.243 -0.757 1.00 0.00 H new ATOM 525 N PRO A 418 -14.427 1.006 2.385 1.00 0.00 N ATOM 526 CA PRO A 418 -15.113 -0.260 2.659 1.00 0.00 C ATOM 527 C PRO A 418 -15.566 -0.968 1.391 1.00 0.00 C ATOM 528 O PRO A 418 -16.510 -0.543 0.720 1.00 0.00 O ATOM 529 CB PRO A 418 -16.319 0.168 3.491 1.00 0.00 C ATOM 530 CG PRO A 418 -15.897 1.439 4.125 1.00 0.00 C ATOM 531 CD PRO A 418 -15.043 2.124 3.106 1.00 0.00 C ATOM 0 HA PRO A 418 -14.460 -0.975 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.202 0.309 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.573 -0.584 4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.759 2.051 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.341 1.254 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.634 2.755 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.295 2.765 3.572 1.00 0.00 H new ATOM 539 N GLY A 419 -14.877 -2.047 1.072 1.00 0.00 N ATOM 540 CA GLY A 419 -15.157 -2.781 -0.140 1.00 0.00 C ATOM 541 C GLY A 419 -13.922 -2.903 -0.997 1.00 0.00 C ATOM 542 O GLY A 419 -13.871 -3.709 -1.924 1.00 0.00 O ATOM 0 H GLY A 419 -14.120 -2.432 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.530 -3.774 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -15.944 -2.277 -0.701 1.00 0.00 H new ATOM 546 N TYR A 420 -12.925 -2.091 -0.682 1.00 0.00 N ATOM 547 CA TYR A 420 -11.654 -2.137 -1.370 1.00 0.00 C ATOM 548 C TYR A 420 -10.598 -2.730 -0.466 1.00 0.00 C ATOM 549 O TYR A 420 -10.516 -2.393 0.716 1.00 0.00 O ATOM 550 CB TYR A 420 -11.237 -0.739 -1.812 1.00 0.00 C ATOM 551 CG TYR A 420 -12.238 -0.102 -2.748 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.279 -0.444 -4.095 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.161 0.822 -2.280 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.212 0.117 -4.945 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.093 1.392 -3.123 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.116 1.034 -4.454 1.00 0.00 C ATOM 557 OH TYR A 420 -15.057 1.587 -5.294 1.00 0.00 O ATOM 0 H TYR A 420 -12.978 -1.387 0.054 1.00 0.00 H new ATOM 0 HA TYR A 420 -11.759 -2.765 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.113 -0.106 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.267 -0.792 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.570 -1.160 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.150 1.100 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.233 -0.161 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.800 2.114 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.618 2.213 -4.790 1.00 0.00 H new ATOM 567 N ALA A 421 -9.795 -3.606 -1.025 1.00 0.00 N ATOM 568 CA ALA A 421 -8.783 -4.305 -0.262 1.00 0.00 C ATOM 569 C ALA A 421 -7.636 -4.718 -1.165 1.00 0.00 C ATOM 570 O ALA A 421 -7.779 -4.777 -2.387 1.00 0.00 O ATOM 571 CB ALA A 421 -9.387 -5.523 0.422 1.00 0.00 C ATOM 0 H ALA A 421 -9.823 -3.854 -2.014 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.396 -3.634 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.615 -6.040 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.184 -5.205 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.795 -6.198 -0.330 1.00 0.00 H new ATOM 577 N LEU A 422 -6.499 -4.987 -0.559 1.00 0.00 N ATOM 578 CA LEU A 422 -5.324 -5.413 -1.293 1.00 0.00 C ATOM 579 C LEU A 422 -5.451 -6.857 -1.724 1.00 0.00 C ATOM 580 O LEU A 422 -6.152 -7.648 -1.087 1.00 0.00 O ATOM 581 CB LEU A 422 -4.084 -5.250 -0.426 1.00 0.00 C ATOM 582 CG LEU A 422 -3.683 -3.804 -0.146 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.502 -3.755 0.796 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.361 -3.076 -1.440 1.00 0.00 C ATOM 0 H LEU A 422 -6.362 -4.918 0.449 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.234 -4.790 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.254 -5.756 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.250 -5.756 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.526 -3.302 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.230 -2.717 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.767 -4.237 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.656 -4.276 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.078 -2.047 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.536 -3.579 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.238 -3.079 -2.087 1.00 0.00 H new ATOM 596 N PRO A 423 -4.776 -7.208 -2.824 1.00 0.00 N ATOM 597 CA PRO A 423 -4.697 -8.585 -3.295 1.00 0.00 C ATOM 598 C PRO A 423 -4.200 -9.501 -2.187 1.00 0.00 C ATOM 599 O PRO A 423 -3.382 -9.093 -1.362 1.00 0.00 O ATOM 600 CB PRO A 423 -3.686 -8.510 -4.442 1.00 0.00 C ATOM 601 CG PRO A 423 -3.770 -7.107 -4.915 1.00 0.00 C ATOM 602 CD PRO A 423 -4.026 -6.285 -3.691 1.00 0.00 C ATOM 0 HA PRO A 423 -5.660 -8.989 -3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.680 -8.755 -4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.934 -9.213 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.845 -6.803 -5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.572 -6.986 -5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.098 -5.957 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.602 -5.388 -3.920 1.00 0.00 H new ATOM 610 N LYS A 424 -4.728 -10.719 -2.171 1.00 0.00 N ATOM 611 CA LYS A 424 -4.444 -11.712 -1.130 1.00 0.00 C ATOM 612 C LYS A 424 -5.235 -11.379 0.134 1.00 0.00 C ATOM 613 O LYS A 424 -4.941 -11.892 1.216 1.00 0.00 O ATOM 614 CB LYS A 424 -2.944 -11.800 -0.806 1.00 0.00 C ATOM 615 CG LYS A 424 -2.067 -12.138 -2.002 1.00 0.00 C ATOM 616 CD LYS A 424 -0.596 -11.940 -1.677 1.00 0.00 C ATOM 617 CE LYS A 424 0.290 -12.303 -2.856 1.00 0.00 C ATOM 618 NZ LYS A 424 1.724 -12.016 -2.581 1.00 0.00 N ATOM 0 H LYS A 424 -5.373 -11.053 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.751 -12.686 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.618 -10.848 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.794 -12.555 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.240 -13.171 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.343 -11.509 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.421 -10.901 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.327 -12.553 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 424 0.170 -13.361 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.030 -11.745 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 2.295 -12.277 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 1.843 -11.002 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 2.037 -12.568 -1.757 1.00 0.00 H new ATOM 632 N ALA A 425 -6.244 -10.517 -0.027 1.00 0.00 N ATOM 633 CA ALA A 425 -7.103 -10.081 1.075 1.00 0.00 C ATOM 634 C ALA A 425 -6.285 -9.393 2.164 1.00 0.00 C ATOM 635 O ALA A 425 -6.522 -9.587 3.359 1.00 0.00 O ATOM 636 CB ALA A 425 -7.887 -11.258 1.650 1.00 0.00 C ATOM 0 H ALA A 425 -6.487 -10.102 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.816 -9.358 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.518 -10.910 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.511 -11.695 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.192 -12.010 2.023 1.00 0.00 H new ATOM 642 N GLN A 426 -5.324 -8.587 1.744 1.00 0.00 N ATOM 643 CA GLN A 426 -4.430 -7.914 2.671 1.00 0.00 C ATOM 644 C GLN A 426 -4.943 -6.529 3.016 1.00 0.00 C ATOM 645 O GLN A 426 -5.754 -5.949 2.290 1.00 0.00 O ATOM 646 CB GLN A 426 -3.041 -7.780 2.060 1.00 0.00 C ATOM 647 CG GLN A 426 -2.368 -9.098 1.734 1.00 0.00 C ATOM 648 CD GLN A 426 -1.032 -8.885 1.065 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.826 -7.894 0.376 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.114 -9.810 1.263 1.00 0.00 N ATOM 0 H GLN A 426 -5.143 -8.382 0.761 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.383 -8.516 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.115 -7.189 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.407 -7.223 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.230 -9.674 2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.013 -9.686 1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.325 -10.621 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.807 -9.714 0.835 1.00 0.00 H new ATOM 659 N THR A 427 -4.467 -6.012 4.136 1.00 0.00 N ATOM 660 CA THR A 427 -4.745 -4.645 4.521 1.00 0.00 C ATOM 661 C THR A 427 -3.479 -3.800 4.416 1.00 0.00 C ATOM 662 O THR A 427 -3.547 -2.588 4.275 1.00 0.00 O ATOM 663 CB THR A 427 -5.299 -4.560 5.957 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.383 -5.170 6.875 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.658 -5.236 6.059 1.00 0.00 C ATOM 0 H THR A 427 -3.883 -6.525 4.796 1.00 0.00 H new ATOM 0 HA THR A 427 -5.503 -4.261 3.838 1.00 0.00 H new ATOM 0 HB THR A 427 -5.419 -3.507 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 427 -3.953 -4.476 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.026 -5.161 7.082 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.360 -4.745 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.564 -6.286 5.783 1.00 0.00 H new ATOM 673 N THR A 428 -2.321 -4.453 4.468 1.00 0.00 N ATOM 674 CA THR A 428 -1.046 -3.751 4.427 1.00 0.00 C ATOM 675 C THR A 428 -0.192 -4.208 3.258 1.00 0.00 C ATOM 676 O THR A 428 -0.424 -5.264 2.665 1.00 0.00 O ATOM 677 CB THR A 428 -0.257 -3.925 5.738 1.00 0.00 C ATOM 678 OG1 THR A 428 1.105 -3.514 5.596 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.291 -5.352 6.193 1.00 0.00 C ATOM 0 H THR A 428 -2.242 -5.467 4.539 1.00 0.00 H new ATOM 0 HA THR A 428 -1.281 -2.694 4.298 1.00 0.00 H new ATOM 0 HB THR A 428 -0.737 -3.290 6.482 1.00 0.00 H new ATOM 0 HG1 THR A 428 1.695 -4.200 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.273 -5.452 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 428 -1.324 -5.656 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.154 -5.988 5.428 1.00 0.00 H new ATOM 687 N VAL A 429 0.812 -3.408 2.969 1.00 0.00 N ATOM 688 CA VAL A 429 1.684 -3.620 1.831 1.00 0.00 C ATOM 689 C VAL A 429 3.111 -3.783 2.307 1.00 0.00 C ATOM 690 O VAL A 429 3.571 -3.057 3.190 1.00 0.00 O ATOM 691 CB VAL A 429 1.645 -2.438 0.836 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.081 -2.881 -0.543 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.271 -1.801 0.778 1.00 0.00 C ATOM 0 H VAL A 429 1.049 -2.584 3.522 1.00 0.00 H new ATOM 0 HA VAL A 429 1.331 -4.517 1.322 1.00 0.00 H new ATOM 0 HB VAL A 429 2.345 -1.685 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.045 -2.032 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.099 -3.267 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.413 -3.664 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 429 0.283 -0.974 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.461 -2.543 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 429 0.001 -1.427 1.766 1.00 0.00 H new ATOM 703 N THR A 430 3.799 -4.741 1.728 1.00 0.00 N ATOM 704 CA THR A 430 5.192 -4.959 2.017 1.00 0.00 C ATOM 705 C THR A 430 6.038 -4.216 0.993 1.00 0.00 C ATOM 706 O THR A 430 5.784 -4.302 -0.203 1.00 0.00 O ATOM 707 CB THR A 430 5.507 -6.466 1.981 1.00 0.00 C ATOM 708 OG1 THR A 430 4.663 -7.153 2.915 1.00 0.00 O ATOM 709 CG2 THR A 430 6.967 -6.746 2.309 1.00 0.00 C ATOM 0 H THR A 430 3.406 -5.388 1.045 1.00 0.00 H new ATOM 0 HA THR A 430 5.422 -4.582 3.014 1.00 0.00 H new ATOM 0 HB THR A 430 5.318 -6.825 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.862 -8.112 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.148 -7.820 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.606 -6.246 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.194 -6.373 3.308 1.00 0.00 H new ATOM 717 N CYS A 431 7.010 -3.457 1.453 1.00 0.00 N ATOM 718 CA CYS A 431 7.886 -2.735 0.547 1.00 0.00 C ATOM 719 C CYS A 431 8.877 -3.686 -0.075 1.00 0.00 C ATOM 720 O CYS A 431 9.723 -4.234 0.623 1.00 0.00 O ATOM 721 CB CYS A 431 8.652 -1.638 1.276 1.00 0.00 C ATOM 722 SG CYS A 431 9.717 -0.650 0.189 1.00 0.00 S ATOM 0 H CYS A 431 7.215 -3.323 2.443 1.00 0.00 H new ATOM 0 HA CYS A 431 7.264 -2.279 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.940 -0.978 1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.264 -2.091 2.056 1.00 0.00 H new ATOM 727 N MET A 432 8.775 -3.898 -1.376 1.00 0.00 N ATOM 728 CA MET A 432 9.727 -4.740 -2.059 1.00 0.00 C ATOM 729 C MET A 432 10.005 -4.250 -3.450 1.00 0.00 C ATOM 730 O MET A 432 9.111 -3.801 -4.164 1.00 0.00 O ATOM 731 CB MET A 432 9.287 -6.192 -2.087 1.00 0.00 C ATOM 732 CG MET A 432 9.611 -6.912 -0.800 1.00 0.00 C ATOM 733 SD MET A 432 9.818 -8.693 -1.013 1.00 0.00 S ATOM 734 CE MET A 432 11.191 -8.751 -2.161 1.00 0.00 C ATOM 0 H MET A 432 8.048 -3.501 -1.971 1.00 0.00 H new ATOM 0 HA MET A 432 10.653 -4.683 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.213 -6.241 -2.268 1.00 0.00 H new ATOM 0 HB3 MET A 432 9.774 -6.701 -2.919 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.525 -6.495 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.815 -6.729 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.903 -9.322 -3.044 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.461 -7.737 -2.457 1.00 0.00 H new ATOM 0 HE3 MET A 432 12.046 -9.229 -1.682 1.00 0.00 H new ATOM 744 N GLU A 433 11.277 -4.339 -3.788 1.00 0.00 N ATOM 745 CA GLU A 433 11.821 -3.889 -5.061 1.00 0.00 C ATOM 746 C GLU A 433 11.242 -2.553 -5.511 1.00 0.00 C ATOM 747 O GLU A 433 10.980 -2.352 -6.693 1.00 0.00 O ATOM 748 CB GLU A 433 11.640 -4.967 -6.112 1.00 0.00 C ATOM 749 CG GLU A 433 12.760 -5.991 -6.114 1.00 0.00 C ATOM 750 CD GLU A 433 14.113 -5.353 -6.333 1.00 0.00 C ATOM 751 OE1 GLU A 433 14.708 -4.870 -5.352 1.00 0.00 O ATOM 752 OE2 GLU A 433 14.571 -5.312 -7.495 1.00 0.00 O ATOM 0 H GLU A 433 11.983 -4.737 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 433 12.888 -3.714 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 433 10.691 -5.476 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.580 -4.501 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 433 12.762 -6.527 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 433 12.576 -6.727 -6.896 1.00 0.00 H new ATOM 759 N ASN A 434 11.047 -1.648 -4.540 1.00 0.00 N ATOM 760 CA ASN A 434 10.548 -0.289 -4.800 1.00 0.00 C ATOM 761 C ASN A 434 9.077 -0.281 -5.238 1.00 0.00 C ATOM 762 O ASN A 434 8.387 0.726 -5.095 1.00 0.00 O ATOM 763 CB ASN A 434 11.432 0.406 -5.852 1.00 0.00 C ATOM 764 CG ASN A 434 10.761 1.578 -6.546 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.138 1.416 -7.593 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.883 2.764 -5.975 1.00 0.00 N ATOM 0 H ASN A 434 11.230 -1.837 -3.555 1.00 0.00 H new ATOM 0 HA ASN A 434 10.601 0.264 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.345 0.757 -5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.729 -0.326 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.452 3.583 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.408 2.860 -5.106 1.00 0.00 H new ATOM 773 N GLY A 435 8.578 -1.411 -5.710 1.00 0.00 N ATOM 774 CA GLY A 435 7.266 -1.427 -6.324 1.00 0.00 C ATOM 775 C GLY A 435 6.208 -2.088 -5.475 1.00 0.00 C ATOM 776 O GLY A 435 5.158 -2.461 -5.991 1.00 0.00 O ATOM 0 H GLY A 435 9.053 -2.313 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.961 -0.402 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.328 -1.946 -7.281 1.00 0.00 H new ATOM 780 N TRP A 436 6.478 -2.169 -4.171 1.00 0.00 N ATOM 781 CA TRP A 436 5.608 -2.801 -3.197 1.00 0.00 C ATOM 782 C TRP A 436 5.204 -4.239 -3.572 1.00 0.00 C ATOM 783 O TRP A 436 4.626 -4.481 -4.627 1.00 0.00 O ATOM 784 CB TRP A 436 4.391 -1.934 -3.020 1.00 0.00 C ATOM 785 CG TRP A 436 4.674 -0.562 -2.477 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.759 0.597 -3.195 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.896 -0.198 -1.108 1.00 0.00 C ATOM 788 NE1 TRP A 436 5.013 1.655 -2.359 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.105 1.195 -1.074 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.941 -0.911 0.091 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.347 1.885 0.110 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.185 -0.225 1.266 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.385 1.160 1.268 1.00 0.00 C ATOM 0 H TRP A 436 7.329 -1.786 -3.761 1.00 0.00 H new ATOM 0 HA TRP A 436 6.161 -2.893 -2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.890 -1.833 -3.983 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.695 -2.439 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.643 0.670 -4.266 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.117 2.627 -2.649 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.788 -1.980 0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.499 2.954 0.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.222 -0.768 2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.573 1.666 2.203 1.00 0.00 H new ATOM 804 N SER A 437 5.471 -5.178 -2.672 1.00 0.00 N ATOM 805 CA SER A 437 5.340 -6.603 -2.963 1.00 0.00 C ATOM 806 C SER A 437 3.985 -6.959 -3.586 1.00 0.00 C ATOM 807 O SER A 437 3.938 -7.431 -4.727 1.00 0.00 O ATOM 808 CB SER A 437 5.574 -7.415 -1.687 1.00 0.00 C ATOM 809 OG SER A 437 6.885 -7.306 -1.235 1.00 0.00 O ATOM 0 H SER A 437 5.784 -4.975 -1.722 1.00 0.00 H new ATOM 0 HA SER A 437 6.098 -6.855 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 437 4.892 -7.072 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.341 -8.463 -1.876 1.00 0.00 H new ATOM 0 HG SER A 437 7.355 -8.152 -1.388 1.00 0.00 H new ATOM 815 N PRO A 438 2.862 -6.733 -2.875 1.00 0.00 N ATOM 816 CA PRO A 438 1.545 -7.112 -3.371 1.00 0.00 C ATOM 817 C PRO A 438 0.868 -6.018 -4.190 1.00 0.00 C ATOM 818 O PRO A 438 -0.208 -6.225 -4.758 1.00 0.00 O ATOM 819 CB PRO A 438 0.799 -7.360 -2.080 1.00 0.00 C ATOM 820 CG PRO A 438 1.320 -6.319 -1.155 1.00 0.00 C ATOM 821 CD PRO A 438 2.766 -6.132 -1.521 1.00 0.00 C ATOM 0 HA PRO A 438 1.580 -7.959 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.278 -7.268 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 438 0.987 -8.363 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.766 -5.387 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.217 -6.632 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.045 -5.078 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.427 -6.631 -0.813 1.00 0.00 H new ATOM 829 N THR A 439 1.524 -4.864 -4.233 1.00 0.00 N ATOM 830 CA THR A 439 1.053 -3.695 -4.973 1.00 0.00 C ATOM 831 C THR A 439 -0.124 -3.008 -4.271 1.00 0.00 C ATOM 832 O THR A 439 -1.217 -3.565 -4.160 1.00 0.00 O ATOM 833 CB THR A 439 0.656 -4.066 -6.416 1.00 0.00 C ATOM 834 OG1 THR A 439 1.732 -4.777 -7.042 1.00 0.00 O ATOM 835 CG2 THR A 439 0.326 -2.824 -7.234 1.00 0.00 C ATOM 0 H THR A 439 2.409 -4.710 -3.750 1.00 0.00 H new ATOM 0 HA THR A 439 1.886 -2.993 -5.007 1.00 0.00 H new ATOM 0 HB THR A 439 -0.233 -4.695 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.478 -5.014 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.050 -3.118 -8.247 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.506 -2.294 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.198 -2.170 -7.271 1.00 0.00 H new ATOM 843 N PRO A 440 0.095 -1.776 -3.784 1.00 0.00 N ATOM 844 CA PRO A 440 -0.956 -0.978 -3.161 1.00 0.00 C ATOM 845 C PRO A 440 -1.925 -0.444 -4.207 1.00 0.00 C ATOM 846 O PRO A 440 -1.556 0.380 -5.047 1.00 0.00 O ATOM 847 CB PRO A 440 -0.199 0.166 -2.488 1.00 0.00 C ATOM 848 CG PRO A 440 1.085 0.287 -3.240 1.00 0.00 C ATOM 849 CD PRO A 440 1.385 -1.070 -3.818 1.00 0.00 C ATOM 0 HA PRO A 440 -1.560 -1.554 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.769 1.094 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.019 -0.048 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.000 1.033 -4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.889 0.612 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.769 -0.992 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.140 -1.594 -3.232 1.00 0.00 H new ATOM 857 N ARG A 441 -3.158 -0.920 -4.166 1.00 0.00 N ATOM 858 CA ARG A 441 -4.128 -0.580 -5.195 1.00 0.00 C ATOM 859 C ARG A 441 -5.557 -0.675 -4.665 1.00 0.00 C ATOM 860 O ARG A 441 -6.385 0.177 -4.981 1.00 0.00 O ATOM 861 CB ARG A 441 -3.927 -1.490 -6.414 1.00 0.00 C ATOM 862 CG ARG A 441 -4.130 -2.971 -6.134 1.00 0.00 C ATOM 863 CD ARG A 441 -3.478 -3.843 -7.200 1.00 0.00 C ATOM 864 NE ARG A 441 -3.856 -3.451 -8.558 1.00 0.00 N ATOM 865 CZ ARG A 441 -3.783 -4.258 -9.618 1.00 0.00 C ATOM 866 NH1 ARG A 441 -3.394 -5.523 -9.471 1.00 0.00 N ATOM 867 NH2 ARG A 441 -4.095 -3.797 -10.824 1.00 0.00 N ATOM 0 H ARG A 441 -3.510 -1.539 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 441 -3.968 0.455 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.618 -1.183 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -2.919 -1.341 -6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.712 -3.217 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -5.197 -3.189 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.394 -3.786 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.759 -4.883 -7.035 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.197 -2.501 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.151 -5.878 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.339 -6.137 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -4.390 -2.827 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -4.040 -4.413 -11.635 1.00 0.00 H new ATOM 881 N CYS A 442 -5.827 -1.689 -3.842 1.00 0.00 N ATOM 882 CA CYS A 442 -7.153 -1.882 -3.251 1.00 0.00 C ATOM 883 C CYS A 442 -8.225 -2.082 -4.315 1.00 0.00 C ATOM 884 O CYS A 442 -8.858 -1.134 -4.789 1.00 0.00 O ATOM 885 CB CYS A 442 -7.507 -0.717 -2.331 1.00 0.00 C ATOM 886 SG CYS A 442 -6.454 -0.624 -0.851 1.00 0.00 S ATOM 0 H CYS A 442 -5.142 -2.393 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.117 -2.794 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.422 0.216 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.548 -0.810 -2.022 1.00 0.00 H new ATOM 891 N ILE A 443 -8.422 -3.340 -4.666 1.00 0.00 N ATOM 892 CA ILE A 443 -9.410 -3.726 -5.655 1.00 0.00 C ATOM 893 C ILE A 443 -10.756 -3.860 -4.969 1.00 0.00 C ATOM 894 O ILE A 443 -10.825 -4.007 -3.745 1.00 0.00 O ATOM 895 CB ILE A 443 -9.043 -5.078 -6.305 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.542 -5.137 -6.592 1.00 0.00 C ATOM 897 CG2 ILE A 443 -9.831 -5.295 -7.593 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.056 -6.500 -7.039 1.00 0.00 C ATOM 0 H ILE A 443 -7.900 -4.123 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.444 -2.964 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.303 -5.873 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.300 -4.405 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -6.998 -4.845 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.555 -6.254 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -10.898 -5.291 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -9.604 -4.495 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.982 -6.461 -7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.264 -7.234 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.571 -6.787 -7.956 1.00 0.00 H new ATOM 910 N ARG A 444 -11.817 -3.811 -5.743 1.00 0.00 N ATOM 911 CA ARG A 444 -13.143 -3.937 -5.188 1.00 0.00 C ATOM 912 C ARG A 444 -13.476 -5.394 -4.979 1.00 0.00 C ATOM 913 O ARG A 444 -13.635 -6.164 -5.929 1.00 0.00 O ATOM 914 CB ARG A 444 -14.185 -3.284 -6.087 1.00 0.00 C ATOM 915 CG ARG A 444 -15.424 -2.829 -5.338 1.00 0.00 C ATOM 916 CD ARG A 444 -16.580 -2.526 -6.278 1.00 0.00 C ATOM 917 NE ARG A 444 -17.192 -3.753 -6.786 1.00 0.00 N ATOM 918 CZ ARG A 444 -17.214 -4.105 -8.070 1.00 0.00 C ATOM 919 NH1 ARG A 444 -16.718 -3.291 -8.992 1.00 0.00 N ATOM 920 NH2 ARG A 444 -17.749 -5.266 -8.434 1.00 0.00 N ATOM 0 H ARG A 444 -11.787 -3.685 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.159 -3.421 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.736 -2.426 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.478 -3.990 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.725 -3.603 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.188 -1.939 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.330 -1.933 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.223 -1.923 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 444 -17.631 -4.381 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -16.319 -2.393 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -16.736 -3.563 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -18.144 -5.889 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.765 -5.534 -9.418 1.00 0.00 H new ATOM 934 N VAL A 445 -13.563 -5.750 -3.722 1.00 0.00 N ATOM 935 CA VAL A 445 -13.828 -7.116 -3.312 1.00 0.00 C ATOM 936 C VAL A 445 -15.297 -7.259 -2.920 1.00 0.00 C ATOM 937 O VAL A 445 -15.750 -8.300 -2.435 1.00 0.00 O ATOM 938 CB VAL A 445 -12.906 -7.494 -2.131 1.00 0.00 C ATOM 939 CG1 VAL A 445 -13.353 -6.819 -0.839 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.813 -9.004 -1.963 1.00 0.00 C ATOM 0 H VAL A 445 -13.452 -5.099 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.623 -7.793 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 445 -11.907 -7.127 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.683 -7.106 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.326 -5.737 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.369 -7.131 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.157 -9.237 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.806 -9.411 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.409 -9.447 -2.873 1.00 0.00 H new ATOM 950 N LYS A 446 -16.043 -6.196 -3.152 1.00 0.00 N ATOM 951 CA LYS A 446 -17.437 -6.144 -2.776 1.00 0.00 C ATOM 952 C LYS A 446 -18.312 -5.956 -4.005 1.00 0.00 C ATOM 953 O LYS A 446 -18.261 -4.871 -4.611 1.00 0.00 O ATOM 954 CB LYS A 446 -17.655 -5.016 -1.772 1.00 0.00 C ATOM 955 CG LYS A 446 -19.089 -4.893 -1.296 1.00 0.00 C ATOM 956 CD LYS A 446 -19.181 -4.077 -0.020 1.00 0.00 C ATOM 957 CE LYS A 446 -18.499 -4.788 1.140 1.00 0.00 C ATOM 958 NZ LYS A 446 -19.035 -6.162 1.337 1.00 0.00 N ATOM 959 OXT LYS A 446 -19.047 -6.895 -4.361 1.00 0.00 O ATOM 0 H LYS A 446 -15.699 -5.349 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.718 -7.087 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.008 -5.179 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.350 -4.073 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -19.693 -4.425 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.504 -5.886 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -18.718 -3.102 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.228 -3.898 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -17.426 -4.839 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -18.637 -4.209 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -19.078 -6.376 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -19.990 -6.224 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -18.413 -6.848 0.865 1.00 0.00 H new TER 973 LYS A 446