USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 427 THR OG1 : rot 96:sc= 1.07 USER MOD Set 1.2: A 428 THR OG1 : rot -70:sc= 1.32 USER MOD Set 2.1: A 390 TYR OH : rot 166:sc= -0.0366 USER MOD Set 2.2: A 402 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Set 3.1: A 396 ASN : amide:sc= 0 X(o=-6.6,f=-6.9) USER MOD Set 3.2: A 417 HIS :FLIP no HD1:sc= -6.58! C(o=-10!,f=-6.6!) USER MOD Single : A 388 LYS NZ :NH3+ 147:sc= -0.0191 (180deg=-0.206) USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.27) USER MOD Single : A 400 GLN :FLIP amide:sc= -0.0148 F(o=-1.3!,f=-0.015) USER MOD Single : A 401 ASN : amide:sc= -0.305 K(o=-0.3,f=-5.1!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -2.63! C(o=-2.6!,f=-6.7!) USER MOD Single : A 410 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0392) USER MOD Single : A 411 SER OG : rot 180:sc= -1.7! 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= -0.134 X(o=-0.13,f=-0.37) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -160:sc= -0.174 (180deg=-0.73) USER MOD Single : A 434 ASN : amide:sc= 0.279 K(o=0.28,f=-6.8!) USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 439 THR OG1 : rot -8:sc= 0.399 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.921 0.944 -2.686 1.00 0.00 N ATOM 21 CA ARG A 387 15.553 0.958 -3.162 1.00 0.00 C ATOM 22 C ARG A 387 14.635 1.643 -2.174 1.00 0.00 C ATOM 23 O ARG A 387 14.074 1.002 -1.287 1.00 0.00 O ATOM 24 CB ARG A 387 15.037 -0.457 -3.441 1.00 0.00 C ATOM 25 CG ARG A 387 15.528 -1.049 -4.751 1.00 0.00 C ATOM 26 CD ARG A 387 17.007 -1.374 -4.705 1.00 0.00 C ATOM 27 NE ARG A 387 17.316 -2.390 -3.705 1.00 0.00 N ATOM 28 CZ ARG A 387 18.508 -2.960 -3.571 1.00 0.00 C ATOM 29 NH1 ARG A 387 19.514 -2.597 -4.357 1.00 0.00 N ATOM 30 NH2 ARG A 387 18.685 -3.896 -2.651 1.00 0.00 N ATOM 0 HA ARG A 387 15.552 1.519 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.340 -1.111 -2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.947 -0.440 -3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 387 14.964 -1.955 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.336 -0.346 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 387 17.332 -1.721 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 387 17.570 -0.467 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 387 16.572 -2.680 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 387 19.373 -1.878 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 387 20.428 -3.037 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.909 -4.175 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 387 19.598 -4.338 -2.542 1.00 0.00 H new ATOM 44 N LYS A 388 14.530 2.954 -2.285 1.00 0.00 N ATOM 45 CA LYS A 388 13.434 3.648 -1.633 1.00 0.00 C ATOM 46 C LYS A 388 12.163 3.362 -2.404 1.00 0.00 C ATOM 47 O LYS A 388 12.190 3.159 -3.619 1.00 0.00 O ATOM 48 CB LYS A 388 13.647 5.156 -1.527 1.00 0.00 C ATOM 49 CG LYS A 388 14.452 5.598 -0.310 1.00 0.00 C ATOM 50 CD LYS A 388 15.865 5.035 -0.307 1.00 0.00 C ATOM 51 CE LYS A 388 16.649 5.510 0.909 1.00 0.00 C ATOM 52 NZ LYS A 388 16.055 5.027 2.185 1.00 0.00 N ATOM 0 H LYS A 388 15.173 3.549 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 388 13.371 3.279 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.154 5.502 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.674 5.646 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.499 6.687 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 388 13.937 5.281 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.824 3.946 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.382 5.340 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.679 5.160 0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.682 6.599 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 16.811 4.862 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 15.396 5.742 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.542 4.139 2.015 1.00 0.00 H new ATOM 66 N CYS A 389 11.066 3.347 -1.697 1.00 0.00 N ATOM 67 CA CYS A 389 9.808 2.896 -2.251 1.00 0.00 C ATOM 68 C CYS A 389 8.759 3.981 -2.132 1.00 0.00 C ATOM 69 O CYS A 389 8.410 4.407 -1.029 1.00 0.00 O ATOM 70 CB CYS A 389 9.355 1.644 -1.512 1.00 0.00 C ATOM 71 SG CYS A 389 10.721 0.492 -1.152 1.00 0.00 S ATOM 0 H CYS A 389 11.013 3.645 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 389 9.943 2.666 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.877 1.935 -0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.602 1.130 -2.109 1.00 0.00 H new ATOM 76 N TYR A 390 8.271 4.438 -3.269 1.00 0.00 N ATOM 77 CA TYR A 390 7.274 5.483 -3.292 1.00 0.00 C ATOM 78 C TYR A 390 5.882 4.890 -3.117 1.00 0.00 C ATOM 79 O TYR A 390 5.532 3.889 -3.742 1.00 0.00 O ATOM 80 CB TYR A 390 7.354 6.282 -4.594 1.00 0.00 C ATOM 81 CG TYR A 390 6.470 7.506 -4.591 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.765 8.589 -3.776 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.334 7.570 -5.385 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.955 9.704 -3.752 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.516 8.681 -5.366 1.00 0.00 C ATOM 86 CZ TYR A 390 4.832 9.747 -4.549 1.00 0.00 C ATOM 87 OH TYR A 390 4.017 10.856 -4.517 1.00 0.00 O ATOM 0 H TYR A 390 8.551 4.099 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 390 7.471 6.163 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.387 6.587 -4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.071 5.638 -5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.644 8.558 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.086 6.738 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.199 10.539 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.633 8.716 -5.987 1.00 0.00 H new ATOM 0 HH TYR A 390 3.409 10.838 -5.286 1.00 0.00 H new ATOM 97 N PHE A 391 5.111 5.501 -2.241 1.00 0.00 N ATOM 98 CA PHE A 391 3.746 5.081 -1.976 1.00 0.00 C ATOM 99 C PHE A 391 2.800 5.756 -2.968 1.00 0.00 C ATOM 100 O PHE A 391 2.899 6.960 -3.167 1.00 0.00 O ATOM 101 CB PHE A 391 3.380 5.503 -0.551 1.00 0.00 C ATOM 102 CG PHE A 391 2.135 4.871 -0.007 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.888 5.405 -0.285 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.215 3.751 0.796 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.257 4.831 0.226 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.076 3.172 1.312 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.163 3.713 1.026 1.00 0.00 C ATOM 0 H PHE A 391 5.412 6.305 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 391 3.658 4.000 -2.083 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.212 5.260 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.260 6.586 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.811 6.282 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.181 3.324 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.224 5.256 0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.152 2.296 1.939 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.057 3.260 1.429 1.00 0.00 H new ATOM 117 N PRO A 392 1.887 5.004 -3.608 1.00 0.00 N ATOM 118 CA PRO A 392 0.915 5.555 -4.560 1.00 0.00 C ATOM 119 C PRO A 392 -0.405 5.999 -3.914 1.00 0.00 C ATOM 120 O PRO A 392 -0.860 5.430 -2.926 1.00 0.00 O ATOM 121 CB PRO A 392 0.672 4.378 -5.492 1.00 0.00 C ATOM 122 CG PRO A 392 0.799 3.174 -4.618 1.00 0.00 C ATOM 123 CD PRO A 392 1.750 3.541 -3.495 1.00 0.00 C ATOM 0 HA PRO A 392 1.291 6.459 -5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.315 4.433 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.400 4.358 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.173 2.882 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.180 2.324 -5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.351 3.251 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.712 3.040 -3.607 1.00 0.00 H new ATOM 131 N TYR A 393 -0.971 7.063 -4.465 1.00 0.00 N ATOM 132 CA TYR A 393 -2.282 7.569 -4.085 1.00 0.00 C ATOM 133 C TYR A 393 -3.383 6.588 -4.476 1.00 0.00 C ATOM 134 O TYR A 393 -3.499 6.198 -5.641 1.00 0.00 O ATOM 135 CB TYR A 393 -2.495 8.908 -4.797 1.00 0.00 C ATOM 136 CG TYR A 393 -3.739 9.676 -4.404 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.985 9.360 -4.935 1.00 0.00 C ATOM 138 CD2 TYR A 393 -3.658 10.740 -3.518 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.112 10.081 -4.587 1.00 0.00 C ATOM 140 CE2 TYR A 393 -4.779 11.467 -3.169 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.002 11.133 -3.705 1.00 0.00 C ATOM 142 OH TYR A 393 -7.117 11.861 -3.360 1.00 0.00 O ATOM 0 H TYR A 393 -0.524 7.609 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.326 7.697 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.627 9.540 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.529 8.725 -5.871 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -5.074 8.538 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -2.701 11.005 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -7.073 9.821 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -4.697 12.294 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 393 -6.865 12.566 -2.728 1.00 0.00 H new ATOM 152 N LEU A 394 -4.181 6.193 -3.497 1.00 0.00 N ATOM 153 CA LEU A 394 -5.354 5.370 -3.754 1.00 0.00 C ATOM 154 C LEU A 394 -6.574 6.266 -3.885 1.00 0.00 C ATOM 155 O LEU A 394 -6.972 6.930 -2.925 1.00 0.00 O ATOM 156 CB LEU A 394 -5.577 4.340 -2.637 1.00 0.00 C ATOM 157 CG LEU A 394 -4.611 3.146 -2.625 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.230 3.555 -2.138 1.00 0.00 C ATOM 159 CD2 LEU A 394 -5.170 2.026 -1.762 1.00 0.00 C ATOM 0 H LEU A 394 -4.038 6.429 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.192 4.821 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.504 4.852 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.595 3.959 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.508 2.786 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.571 2.687 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.824 4.322 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.304 3.950 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.476 1.186 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -5.305 2.385 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -6.131 1.703 -2.163 1.00 0.00 H new ATOM 171 N GLU A 395 -7.148 6.299 -5.080 1.00 0.00 N ATOM 172 CA GLU A 395 -8.288 7.157 -5.369 1.00 0.00 C ATOM 173 C GLU A 395 -9.491 6.754 -4.521 1.00 0.00 C ATOM 174 O GLU A 395 -9.858 5.583 -4.475 1.00 0.00 O ATOM 175 CB GLU A 395 -8.622 7.100 -6.862 1.00 0.00 C ATOM 176 CG GLU A 395 -7.470 7.561 -7.744 1.00 0.00 C ATOM 177 CD GLU A 395 -7.755 7.408 -9.223 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.541 6.302 -9.756 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.178 8.395 -9.861 1.00 0.00 O ATOM 0 H GLU A 395 -6.839 5.735 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.030 8.185 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.892 6.079 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.495 7.723 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.252 8.607 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.576 6.990 -7.492 1.00 0.00 H new ATOM 186 N ASN A 396 -10.061 7.740 -3.823 1.00 0.00 N ATOM 187 CA ASN A 396 -11.185 7.544 -2.890 1.00 0.00 C ATOM 188 C ASN A 396 -10.729 6.845 -1.609 1.00 0.00 C ATOM 189 O ASN A 396 -11.487 6.752 -0.647 1.00 0.00 O ATOM 190 CB ASN A 396 -12.339 6.724 -3.500 1.00 0.00 C ATOM 191 CG ASN A 396 -12.854 7.248 -4.826 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.742 8.435 -5.129 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.457 6.360 -5.614 1.00 0.00 N ATOM 0 H ASN A 396 -9.754 8.711 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.551 8.546 -2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.004 5.696 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -13.165 6.699 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -13.848 6.655 -6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.527 5.385 -5.323 1.00 0.00 H new ATOM 200 N GLY A 397 -9.496 6.350 -1.600 1.00 0.00 N ATOM 201 CA GLY A 397 -9.019 5.559 -0.483 1.00 0.00 C ATOM 202 C GLY A 397 -8.220 6.378 0.513 1.00 0.00 C ATOM 203 O GLY A 397 -8.115 7.599 0.379 1.00 0.00 O ATOM 0 H GLY A 397 -8.817 6.484 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.870 5.105 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -8.399 4.744 -0.858 1.00 0.00 H new ATOM 207 N TYR A 398 -7.638 5.705 1.501 1.00 0.00 N ATOM 208 CA TYR A 398 -6.875 6.378 2.542 1.00 0.00 C ATOM 209 C TYR A 398 -5.417 6.536 2.135 1.00 0.00 C ATOM 210 O TYR A 398 -4.610 5.620 2.292 1.00 0.00 O ATOM 211 CB TYR A 398 -6.956 5.603 3.857 1.00 0.00 C ATOM 212 CG TYR A 398 -8.355 5.450 4.395 1.00 0.00 C ATOM 213 CD1 TYR A 398 -8.944 6.459 5.143 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.082 4.293 4.164 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.223 6.318 5.645 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.357 4.141 4.663 1.00 0.00 C ATOM 217 CZ TYR A 398 -10.924 5.154 5.403 1.00 0.00 C ATOM 218 OH TYR A 398 -12.193 4.998 5.909 1.00 0.00 O ATOM 0 H TYR A 398 -7.682 4.691 1.601 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.310 7.367 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.524 4.613 3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.344 6.110 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.394 7.368 5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.641 3.497 3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -10.671 7.113 6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -10.909 3.232 4.475 1.00 0.00 H new ATOM 0 HH TYR A 398 -12.545 4.122 5.645 1.00 0.00 H new ATOM 228 N ASN A 399 -5.081 7.702 1.619 1.00 0.00 N ATOM 229 CA ASN A 399 -3.700 8.004 1.257 1.00 0.00 C ATOM 230 C ASN A 399 -3.025 8.806 2.343 1.00 0.00 C ATOM 231 O ASN A 399 -2.348 9.796 2.068 1.00 0.00 O ATOM 232 CB ASN A 399 -3.598 8.759 -0.067 1.00 0.00 C ATOM 233 CG ASN A 399 -4.792 9.650 -0.339 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.799 10.824 0.027 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.811 9.102 -0.980 1.00 0.00 N ATOM 0 H ASN A 399 -5.741 8.459 1.439 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.194 7.046 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.693 9.366 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.496 8.041 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.641 9.657 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.767 8.124 -1.267 1.00 0.00 H new ATOM 242 N GLN A 400 -3.192 8.356 3.574 1.00 0.00 N ATOM 243 CA GLN A 400 -2.515 8.955 4.712 1.00 0.00 C ATOM 244 C GLN A 400 -1.003 8.823 4.555 1.00 0.00 C ATOM 245 O GLN A 400 -0.235 9.519 5.214 1.00 0.00 O ATOM 246 CB GLN A 400 -2.966 8.280 6.006 1.00 0.00 C ATOM 247 CG GLN A 400 -2.723 6.786 6.002 1.00 0.00 C ATOM 248 CD GLN A 400 -3.018 6.127 7.335 1.00 0.00 C ATOM 249 OE1 GLN A 400 -2.811 6.852 8.420 1.00 0.00 O flip ATOM 250 NE2 GLN A 400 -3.423 4.965 7.387 1.00 0.00 N flip ATOM 0 H GLN A 400 -3.797 7.570 3.813 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.774 10.013 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.437 8.728 6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -4.028 8.471 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -3.343 6.326 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -1.685 6.595 5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -3.571 4.437 6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -3.611 4.530 8.290 1.00 0.00 H new ATOM 259 N ASN A 401 -0.586 7.929 3.662 1.00 0.00 N ATOM 260 CA ASN A 401 0.826 7.639 3.475 1.00 0.00 C ATOM 261 C ASN A 401 1.307 7.943 2.059 1.00 0.00 C ATOM 262 O ASN A 401 2.481 7.737 1.758 1.00 0.00 O ATOM 263 CB ASN A 401 1.113 6.175 3.809 1.00 0.00 C ATOM 264 CG ASN A 401 0.999 5.885 5.292 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.425 6.683 6.125 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.397 4.756 5.636 1.00 0.00 N ATOM 0 H ASN A 401 -1.210 7.394 3.058 1.00 0.00 H new ATOM 0 HA ASN A 401 1.374 8.292 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.417 5.538 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.116 5.918 3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.273 4.524 6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.057 4.119 4.915 1.00 0.00 H new ATOM 273 N HIS A 402 0.431 8.410 1.166 1.00 0.00 N ATOM 274 CA HIS A 402 0.900 8.763 -0.171 1.00 0.00 C ATOM 275 C HIS A 402 1.738 10.028 -0.120 1.00 0.00 C ATOM 276 O HIS A 402 1.552 10.883 0.741 1.00 0.00 O ATOM 277 CB HIS A 402 -0.239 8.914 -1.176 1.00 0.00 C ATOM 278 CG HIS A 402 0.237 9.380 -2.524 1.00 0.00 C ATOM 279 ND1 HIS A 402 1.045 8.646 -3.356 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.039 10.539 -3.151 1.00 0.00 C ATOM 281 CE1 HIS A 402 1.313 9.349 -4.443 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.711 10.506 -4.341 1.00 0.00 N ATOM 0 H HIS A 402 -0.565 8.548 1.335 1.00 0.00 H new ATOM 0 HA HIS A 402 1.518 7.935 -0.520 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -0.751 7.958 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.970 9.624 -0.788 1.00 0.00 H new ATOM 0 HD1 HIS A 402 1.386 7.704 -3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.552 11.364 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 402 1.924 9.024 -5.272 1.00 0.00 H new ATOM 291 N GLY A 403 2.664 10.126 -1.055 1.00 0.00 N ATOM 292 CA GLY A 403 3.612 11.217 -1.056 1.00 0.00 C ATOM 293 C GLY A 403 4.835 10.875 -0.233 1.00 0.00 C ATOM 294 O GLY A 403 5.837 11.587 -0.259 1.00 0.00 O ATOM 0 H GLY A 403 2.778 9.463 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.910 11.443 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.140 12.114 -0.656 1.00 0.00 H new ATOM 298 N ARG A 404 4.750 9.768 0.489 1.00 0.00 N ATOM 299 CA ARG A 404 5.820 9.334 1.367 1.00 0.00 C ATOM 300 C ARG A 404 6.683 8.271 0.702 1.00 0.00 C ATOM 301 O ARG A 404 6.220 7.536 -0.177 1.00 0.00 O ATOM 302 CB ARG A 404 5.232 8.800 2.673 1.00 0.00 C ATOM 303 CG ARG A 404 4.691 9.895 3.571 1.00 0.00 C ATOM 304 CD ARG A 404 3.987 9.331 4.791 1.00 0.00 C ATOM 305 NE ARG A 404 3.838 10.346 5.833 1.00 0.00 N ATOM 306 CZ ARG A 404 2.933 10.305 6.807 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.066 9.311 6.882 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.900 11.264 7.718 1.00 0.00 N ATOM 0 H ARG A 404 3.939 9.149 0.481 1.00 0.00 H new ATOM 0 HA ARG A 404 6.457 10.192 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.431 8.097 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.000 8.244 3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.510 10.540 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.996 10.517 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.005 8.953 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.553 8.485 5.182 1.00 0.00 H new ATOM 0 HE ARG A 404 4.474 11.143 5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.086 8.564 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.377 9.291 7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.568 12.034 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.207 11.234 8.465 1.00 0.00 H new ATOM 322 N LYS A 405 7.937 8.210 1.122 1.00 0.00 N ATOM 323 CA LYS A 405 8.882 7.237 0.608 1.00 0.00 C ATOM 324 C LYS A 405 9.378 6.342 1.733 1.00 0.00 C ATOM 325 O LYS A 405 9.851 6.820 2.766 1.00 0.00 O ATOM 326 CB LYS A 405 10.065 7.938 -0.061 1.00 0.00 C ATOM 327 CG LYS A 405 9.704 8.662 -1.350 1.00 0.00 C ATOM 328 CD LYS A 405 10.873 9.481 -1.875 1.00 0.00 C ATOM 329 CE LYS A 405 11.179 10.660 -0.962 1.00 0.00 C ATOM 330 NZ LYS A 405 12.377 11.422 -1.407 1.00 0.00 N ATOM 0 H LYS A 405 8.326 8.834 1.829 1.00 0.00 H new ATOM 0 HA LYS A 405 8.374 6.624 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.493 8.655 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.838 7.200 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.400 7.936 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.850 9.316 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.755 8.846 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.644 9.844 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.317 11.327 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.338 10.298 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 12.546 12.215 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.206 10.794 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.217 11.791 -2.366 1.00 0.00 H new ATOM 344 N PHE A 406 9.257 5.047 1.531 1.00 0.00 N ATOM 345 CA PHE A 406 9.699 4.070 2.510 1.00 0.00 C ATOM 346 C PHE A 406 10.954 3.384 2.000 1.00 0.00 C ATOM 347 O PHE A 406 11.421 3.684 0.907 1.00 0.00 O ATOM 348 CB PHE A 406 8.582 3.058 2.780 1.00 0.00 C ATOM 349 CG PHE A 406 7.348 3.687 3.376 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.377 4.252 2.562 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.167 3.724 4.750 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.249 4.839 3.105 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.040 4.309 5.300 1.00 0.00 C ATOM 354 CZ PHE A 406 5.080 4.868 4.476 1.00 0.00 C ATOM 0 H PHE A 406 8.852 4.641 0.688 1.00 0.00 H new ATOM 0 HA PHE A 406 9.933 4.567 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.316 2.562 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.953 2.288 3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.504 4.233 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.914 3.291 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.501 5.274 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.910 4.329 6.372 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.200 5.326 4.903 1.00 0.00 H new ATOM 364 N VAL A 407 11.514 2.492 2.790 1.00 0.00 N ATOM 365 CA VAL A 407 12.715 1.783 2.385 1.00 0.00 C ATOM 366 C VAL A 407 12.391 0.321 2.115 1.00 0.00 C ATOM 367 O VAL A 407 11.478 -0.242 2.731 1.00 0.00 O ATOM 368 CB VAL A 407 13.826 1.895 3.457 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.444 1.156 4.729 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.160 1.392 2.922 1.00 0.00 C ATOM 0 H VAL A 407 11.161 2.240 3.713 1.00 0.00 H new ATOM 0 HA VAL A 407 13.086 2.244 1.470 1.00 0.00 H new ATOM 0 HB VAL A 407 13.937 2.951 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.245 1.254 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.527 1.582 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.286 0.101 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.921 1.483 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.064 0.346 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.452 1.986 2.056 1.00 0.00 H new ATOM 380 N GLN A 408 13.107 -0.265 1.161 1.00 0.00 N ATOM 381 CA GLN A 408 12.977 -1.681 0.854 1.00 0.00 C ATOM 382 C GLN A 408 13.119 -2.515 2.123 1.00 0.00 C ATOM 383 O GLN A 408 14.186 -2.552 2.739 1.00 0.00 O ATOM 384 CB GLN A 408 14.037 -2.090 -0.175 1.00 0.00 C ATOM 385 CG GLN A 408 14.008 -3.564 -0.543 1.00 0.00 C ATOM 386 CD GLN A 408 15.019 -3.918 -1.616 1.00 0.00 C ATOM 387 OE1 GLN A 408 16.164 -4.270 -1.324 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.611 -3.801 -2.867 1.00 0.00 N ATOM 0 H GLN A 408 13.789 0.226 0.583 1.00 0.00 H new ATOM 0 HA GLN A 408 11.988 -1.862 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.897 -1.498 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.023 -1.844 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.205 -4.161 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.009 -3.828 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.655 -3.507 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.252 -4.005 -3.634 1.00 0.00 H new ATOM 397 N GLY A 409 12.037 -3.170 2.506 1.00 0.00 N ATOM 398 CA GLY A 409 12.022 -3.934 3.733 1.00 0.00 C ATOM 399 C GLY A 409 10.981 -3.435 4.719 1.00 0.00 C ATOM 400 O GLY A 409 10.673 -4.116 5.696 1.00 0.00 O ATOM 0 H GLY A 409 11.161 -3.186 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.826 -4.981 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.007 -3.889 4.197 1.00 0.00 H new ATOM 404 N LYS A 410 10.432 -2.244 4.478 1.00 0.00 N ATOM 405 CA LYS A 410 9.430 -1.693 5.375 1.00 0.00 C ATOM 406 C LYS A 410 8.027 -2.099 4.965 1.00 0.00 C ATOM 407 O LYS A 410 7.766 -2.405 3.796 1.00 0.00 O ATOM 408 CB LYS A 410 9.533 -0.171 5.449 1.00 0.00 C ATOM 409 CG LYS A 410 10.393 0.316 6.601 1.00 0.00 C ATOM 410 CD LYS A 410 10.228 1.807 6.827 1.00 0.00 C ATOM 411 CE LYS A 410 10.985 2.271 8.061 1.00 0.00 C ATOM 412 NZ LYS A 410 12.456 2.110 7.913 1.00 0.00 N ATOM 0 H LYS A 410 10.663 -1.653 3.679 1.00 0.00 H new ATOM 0 HA LYS A 410 9.628 -2.105 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.945 0.205 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.532 0.250 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.124 -0.223 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.440 0.092 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.587 2.350 5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.170 2.044 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.754 3.319 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.645 1.704 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.935 2.516 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.689 1.099 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.774 2.602 7.054 1.00 0.00 H new ATOM 426 N SER A 411 7.136 -2.094 5.941 1.00 0.00 N ATOM 427 CA SER A 411 5.756 -2.490 5.738 1.00 0.00 C ATOM 428 C SER A 411 4.820 -1.371 6.163 1.00 0.00 C ATOM 429 O SER A 411 5.228 -0.440 6.862 1.00 0.00 O ATOM 430 CB SER A 411 5.462 -3.752 6.545 1.00 0.00 C ATOM 431 OG SER A 411 4.113 -4.166 6.410 1.00 0.00 O ATOM 0 H SER A 411 7.351 -1.814 6.898 1.00 0.00 H new ATOM 0 HA SER A 411 5.596 -2.694 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.122 -4.555 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.682 -3.569 7.597 1.00 0.00 H new ATOM 0 HG SER A 411 3.965 -4.977 6.940 1.00 0.00 H new ATOM 437 N ILE A 412 3.565 -1.480 5.768 1.00 0.00 N ATOM 438 CA ILE A 412 2.573 -0.461 6.086 1.00 0.00 C ATOM 439 C ILE A 412 1.174 -0.920 5.702 1.00 0.00 C ATOM 440 O ILE A 412 0.967 -1.503 4.635 1.00 0.00 O ATOM 441 CB ILE A 412 2.891 0.885 5.388 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.902 1.968 5.818 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.898 0.736 3.870 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.025 2.358 7.277 1.00 0.00 C ATOM 0 H ILE A 412 3.205 -2.265 5.225 1.00 0.00 H new ATOM 0 HA ILE A 412 2.612 -0.306 7.164 1.00 0.00 H new ATOM 0 HB ILE A 412 3.891 1.189 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.054 2.853 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.887 1.617 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.124 1.698 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.656 0.008 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.919 0.395 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.292 3.131 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.843 1.485 7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.028 2.739 7.468 1.00 0.00 H new ATOM 456 N ASP A 413 0.221 -0.694 6.595 1.00 0.00 N ATOM 457 CA ASP A 413 -1.164 -1.057 6.329 1.00 0.00 C ATOM 458 C ASP A 413 -1.810 -0.015 5.440 1.00 0.00 C ATOM 459 O ASP A 413 -1.799 1.180 5.745 1.00 0.00 O ATOM 460 CB ASP A 413 -1.997 -1.215 7.612 1.00 0.00 C ATOM 461 CG ASP A 413 -1.543 -2.360 8.496 1.00 0.00 C ATOM 462 OD1 ASP A 413 -2.030 -3.499 8.310 1.00 0.00 O ATOM 463 OD2 ASP A 413 -0.716 -2.121 9.402 1.00 0.00 O ATOM 0 H ASP A 413 0.380 -0.263 7.506 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.144 -2.026 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.950 -0.287 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -3.041 -1.369 7.340 1.00 0.00 H new ATOM 468 N VAL A 414 -2.360 -0.479 4.338 1.00 0.00 N ATOM 469 CA VAL A 414 -3.038 0.387 3.396 1.00 0.00 C ATOM 470 C VAL A 414 -4.512 0.053 3.336 1.00 0.00 C ATOM 471 O VAL A 414 -4.912 -0.988 2.814 1.00 0.00 O ATOM 472 CB VAL A 414 -2.428 0.290 1.986 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.166 1.197 1.012 1.00 0.00 C ATOM 474 CG2 VAL A 414 -0.955 0.642 2.031 1.00 0.00 C ATOM 0 H VAL A 414 -2.350 -1.463 4.070 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.910 1.410 3.750 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.533 -0.736 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.716 1.111 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.214 0.901 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.097 2.230 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -0.533 0.570 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.835 1.659 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.436 -0.050 2.694 1.00 0.00 H new ATOM 484 N ALA A 415 -5.315 0.938 3.894 1.00 0.00 N ATOM 485 CA ALA A 415 -6.747 0.777 3.866 1.00 0.00 C ATOM 486 C ALA A 415 -7.331 1.539 2.692 1.00 0.00 C ATOM 487 O ALA A 415 -6.942 2.678 2.421 1.00 0.00 O ATOM 488 CB ALA A 415 -7.364 1.255 5.173 1.00 0.00 C ATOM 0 H ALA A 415 -4.993 1.779 4.374 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.979 -0.281 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.446 1.126 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.959 0.673 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.130 2.309 5.322 1.00 0.00 H new ATOM 494 N CYS A 416 -8.248 0.915 1.984 1.00 0.00 N ATOM 495 CA CYS A 416 -8.895 1.575 0.872 1.00 0.00 C ATOM 496 C CYS A 416 -10.282 2.020 1.275 1.00 0.00 C ATOM 497 O CYS A 416 -10.737 1.734 2.385 1.00 0.00 O ATOM 498 CB CYS A 416 -8.982 0.664 -0.351 1.00 0.00 C ATOM 499 SG CYS A 416 -8.460 1.478 -1.897 1.00 0.00 S ATOM 0 H CYS A 416 -8.560 -0.041 2.157 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.292 2.442 0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.361 -0.216 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.008 0.314 -0.462 1.00 0.00 H new ATOM 504 N HIS A 417 -10.942 2.720 0.373 1.00 0.00 N ATOM 505 CA HIS A 417 -12.307 3.148 0.580 1.00 0.00 C ATOM 506 C HIS A 417 -13.210 1.964 0.897 1.00 0.00 C ATOM 507 O HIS A 417 -12.960 0.847 0.444 1.00 0.00 O ATOM 508 CB HIS A 417 -12.853 3.921 -0.636 1.00 0.00 C ATOM 509 CG HIS A 417 -12.275 3.596 -1.995 1.00 0.00 C ATOM 510 ND1 HIS A 417 -11.009 3.339 -2.406 1.00 0.00 N flip ATOM 511 CD2 HIS A 417 -13.042 3.582 -3.139 1.00 0.00 C flip ATOM 512 CE1 HIS A 417 -11.038 3.180 -3.764 1.00 0.00 C flip ATOM 513 NE2 HIS A 417 -12.271 3.334 -4.184 1.00 0.00 N flip ATOM 0 H HIS A 417 -10.546 3.007 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.303 3.824 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.930 3.756 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -12.701 4.985 -0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.109 3.748 -3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -10.184 2.963 -4.389 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -12.582 3.273 -5.153 1.00 0.00 H new ATOM 522 N PRO A 418 -14.259 2.210 1.699 1.00 0.00 N ATOM 523 CA PRO A 418 -15.198 1.176 2.143 1.00 0.00 C ATOM 524 C PRO A 418 -15.674 0.282 1.004 1.00 0.00 C ATOM 525 O PRO A 418 -16.254 0.755 0.022 1.00 0.00 O ATOM 526 CB PRO A 418 -16.357 1.991 2.712 1.00 0.00 C ATOM 527 CG PRO A 418 -15.717 3.232 3.215 1.00 0.00 C ATOM 528 CD PRO A 418 -14.620 3.536 2.240 1.00 0.00 C ATOM 0 HA PRO A 418 -14.744 0.488 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.103 2.209 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.867 1.454 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.434 4.051 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.321 3.090 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -14.958 4.211 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.771 4.015 2.728 1.00 0.00 H new ATOM 536 N GLY A 419 -15.406 -1.009 1.139 1.00 0.00 N ATOM 537 CA GLY A 419 -15.774 -1.959 0.115 1.00 0.00 C ATOM 538 C GLY A 419 -14.576 -2.423 -0.683 1.00 0.00 C ATOM 539 O GLY A 419 -14.657 -3.393 -1.433 1.00 0.00 O ATOM 0 H GLY A 419 -14.936 -1.416 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.258 -2.820 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.503 -1.505 -0.556 1.00 0.00 H new ATOM 543 N TYR A 420 -13.458 -1.729 -0.522 1.00 0.00 N ATOM 544 CA TYR A 420 -12.240 -2.063 -1.237 1.00 0.00 C ATOM 545 C TYR A 420 -11.154 -2.505 -0.269 1.00 0.00 C ATOM 546 O TYR A 420 -10.952 -1.879 0.773 1.00 0.00 O ATOM 547 CB TYR A 420 -11.756 -0.860 -2.042 1.00 0.00 C ATOM 548 CG TYR A 420 -12.706 -0.429 -3.139 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.688 -1.044 -4.386 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.612 0.602 -2.934 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.546 -0.643 -5.395 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.473 1.008 -3.939 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.436 0.383 -5.164 1.00 0.00 C ATOM 554 OH TYR A 420 -15.291 0.791 -6.163 1.00 0.00 O ATOM 0 H TYR A 420 -13.372 -0.927 0.102 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.457 -2.886 -1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.597 -0.022 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.789 -1.098 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.992 -1.849 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.646 1.096 -1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.518 -1.131 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.171 1.813 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.853 1.524 -5.834 1.00 0.00 H new ATOM 564 N ALA A 421 -10.449 -3.570 -0.620 1.00 0.00 N ATOM 565 CA ALA A 421 -9.401 -4.110 0.238 1.00 0.00 C ATOM 566 C ALA A 421 -8.332 -4.816 -0.586 1.00 0.00 C ATOM 567 O ALA A 421 -8.443 -4.912 -1.809 1.00 0.00 O ATOM 568 CB ALA A 421 -10.000 -5.068 1.255 1.00 0.00 C ATOM 0 H ALA A 421 -10.583 -4.079 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.930 -3.281 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.209 -5.465 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.727 -4.538 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.494 -5.889 0.735 1.00 0.00 H new ATOM 574 N LEU A 422 -7.297 -5.310 0.084 1.00 0.00 N ATOM 575 CA LEU A 422 -6.219 -6.019 -0.590 1.00 0.00 C ATOM 576 C LEU A 422 -6.609 -7.461 -0.874 1.00 0.00 C ATOM 577 O LEU A 422 -7.348 -8.085 -0.110 1.00 0.00 O ATOM 578 CB LEU A 422 -4.932 -5.975 0.232 1.00 0.00 C ATOM 579 CG LEU A 422 -4.235 -4.614 0.280 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.149 -4.609 1.343 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.642 -4.269 -1.079 1.00 0.00 C ATOM 0 H LEU A 422 -7.183 -5.232 1.095 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.039 -5.515 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.161 -6.284 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.235 -6.708 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.978 -3.859 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.664 -3.633 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.593 -4.814 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.410 -5.377 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.150 -3.298 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.914 -5.029 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.437 -4.233 -1.824 1.00 0.00 H new ATOM 593 N PRO A 423 -6.081 -7.987 -1.984 1.00 0.00 N ATOM 594 CA PRO A 423 -6.402 -9.316 -2.519 1.00 0.00 C ATOM 595 C PRO A 423 -6.529 -10.420 -1.481 1.00 0.00 C ATOM 596 O PRO A 423 -7.618 -10.932 -1.235 1.00 0.00 O ATOM 597 CB PRO A 423 -5.235 -9.575 -3.466 1.00 0.00 C ATOM 598 CG PRO A 423 -4.903 -8.222 -3.989 1.00 0.00 C ATOM 599 CD PRO A 423 -5.113 -7.280 -2.838 1.00 0.00 C ATOM 0 HA PRO A 423 -7.387 -9.326 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.388 -10.023 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.514 -10.258 -4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.874 -8.182 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.543 -7.960 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.182 -7.081 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.501 -6.318 -3.173 1.00 0.00 H new ATOM 607 N LYS A 424 -5.426 -10.757 -0.863 1.00 0.00 N ATOM 608 CA LYS A 424 -5.374 -11.893 0.053 1.00 0.00 C ATOM 609 C LYS A 424 -5.822 -11.514 1.464 1.00 0.00 C ATOM 610 O LYS A 424 -5.191 -11.909 2.446 1.00 0.00 O ATOM 611 CB LYS A 424 -3.966 -12.484 0.098 1.00 0.00 C ATOM 612 CG LYS A 424 -3.477 -12.992 -1.249 1.00 0.00 C ATOM 613 CD LYS A 424 -2.244 -13.873 -1.107 1.00 0.00 C ATOM 614 CE LYS A 424 -1.090 -13.148 -0.429 1.00 0.00 C ATOM 615 NZ LYS A 424 0.119 -14.010 -0.316 1.00 0.00 N ATOM 0 H LYS A 424 -4.540 -10.264 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.068 -12.642 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.274 -11.726 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.948 -13.305 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.273 -13.556 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.246 -12.145 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -2.500 -14.762 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -1.927 -14.213 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.843 -12.250 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.399 -12.824 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.882 -13.479 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -0.109 -14.855 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 0.430 -14.299 -1.266 1.00 0.00 H new ATOM 629 N ALA A 425 -6.904 -10.743 1.548 1.00 0.00 N ATOM 630 CA ALA A 425 -7.498 -10.344 2.826 1.00 0.00 C ATOM 631 C ALA A 425 -6.466 -9.697 3.745 1.00 0.00 C ATOM 632 O ALA A 425 -6.506 -9.861 4.966 1.00 0.00 O ATOM 633 CB ALA A 425 -8.151 -11.538 3.512 1.00 0.00 C ATOM 0 H ALA A 425 -7.395 -10.376 0.733 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.267 -9.601 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.586 -11.220 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.934 -11.943 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.401 -12.306 3.697 1.00 0.00 H new ATOM 639 N GLN A 426 -5.549 -8.959 3.150 1.00 0.00 N ATOM 640 CA GLN A 426 -4.496 -8.307 3.893 1.00 0.00 C ATOM 641 C GLN A 426 -4.795 -6.828 4.046 1.00 0.00 C ATOM 642 O GLN A 426 -5.529 -6.247 3.249 1.00 0.00 O ATOM 643 CB GLN A 426 -3.162 -8.501 3.174 1.00 0.00 C ATOM 644 CG GLN A 426 -2.608 -9.912 3.289 1.00 0.00 C ATOM 645 CD GLN A 426 -2.257 -10.284 4.716 1.00 0.00 C ATOM 646 OE1 GLN A 426 -3.090 -10.796 5.464 1.00 0.00 O ATOM 647 NE2 GLN A 426 -1.016 -10.034 5.101 1.00 0.00 N ATOM 0 H GLN A 426 -5.515 -8.797 2.144 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.436 -8.753 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.288 -8.254 2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.434 -7.799 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.342 -10.619 2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.719 -10.002 2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.356 -9.608 4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.719 -10.267 6.049 1.00 0.00 H new ATOM 656 N THR A 427 -4.235 -6.228 5.078 1.00 0.00 N ATOM 657 CA THR A 427 -4.378 -4.805 5.292 1.00 0.00 C ATOM 658 C THR A 427 -3.059 -4.118 5.036 1.00 0.00 C ATOM 659 O THR A 427 -2.983 -2.903 5.009 1.00 0.00 O ATOM 660 CB THR A 427 -4.828 -4.485 6.731 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.079 -5.282 7.663 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.317 -4.740 6.912 1.00 0.00 C ATOM 0 H THR A 427 -3.675 -6.708 5.783 1.00 0.00 H new ATOM 0 HA THR A 427 -5.141 -4.445 4.602 1.00 0.00 H new ATOM 0 HB THR A 427 -4.640 -3.428 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 427 -3.315 -4.766 7.995 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.604 -4.505 7.937 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.880 -4.110 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.534 -5.788 6.705 1.00 0.00 H new ATOM 670 N THR A 428 -2.028 -4.910 4.822 1.00 0.00 N ATOM 671 CA THR A 428 -0.677 -4.398 4.802 1.00 0.00 C ATOM 672 C THR A 428 0.035 -4.740 3.497 1.00 0.00 C ATOM 673 O THR A 428 -0.316 -5.699 2.806 1.00 0.00 O ATOM 674 CB THR A 428 0.115 -4.996 5.968 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.790 -5.497 6.960 1.00 0.00 O ATOM 676 CG2 THR A 428 1.033 -3.978 6.609 1.00 0.00 C ATOM 0 H THR A 428 -2.103 -5.914 4.659 1.00 0.00 H new ATOM 0 HA THR A 428 -0.732 -3.313 4.892 1.00 0.00 H new ATOM 0 HB THR A 428 0.728 -5.803 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 428 -1.239 -4.746 7.402 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.576 -4.444 7.431 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.743 -3.611 5.868 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.443 -3.145 6.990 1.00 0.00 H new ATOM 684 N VAL A 429 1.046 -3.950 3.187 1.00 0.00 N ATOM 685 CA VAL A 429 1.878 -4.137 2.016 1.00 0.00 C ATOM 686 C VAL A 429 3.296 -3.740 2.352 1.00 0.00 C ATOM 687 O VAL A 429 3.521 -2.764 3.070 1.00 0.00 O ATOM 688 CB VAL A 429 1.358 -3.324 0.799 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.657 -2.059 1.250 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.478 -2.970 -0.152 1.00 0.00 C ATOM 0 H VAL A 429 1.316 -3.146 3.753 1.00 0.00 H new ATOM 0 HA VAL A 429 1.844 -5.189 1.732 1.00 0.00 H new ATOM 0 HB VAL A 429 0.645 -3.959 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.303 -1.509 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -0.191 -2.319 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.354 -1.438 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 429 2.077 -2.402 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.223 -2.369 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.943 -3.883 -0.522 1.00 0.00 H new ATOM 700 N THR A 430 4.253 -4.517 1.880 1.00 0.00 N ATOM 701 CA THR A 430 5.628 -4.222 2.178 1.00 0.00 C ATOM 702 C THR A 430 6.448 -4.103 0.917 1.00 0.00 C ATOM 703 O THR A 430 6.108 -4.682 -0.112 1.00 0.00 O ATOM 704 CB THR A 430 6.271 -5.278 3.097 1.00 0.00 C ATOM 705 OG1 THR A 430 6.845 -6.339 2.320 1.00 0.00 O ATOM 706 CG2 THR A 430 5.256 -5.880 4.056 1.00 0.00 C ATOM 0 H THR A 430 4.101 -5.342 1.299 1.00 0.00 H new ATOM 0 HA THR A 430 5.623 -3.267 2.703 1.00 0.00 H new ATOM 0 HB THR A 430 7.046 -4.769 3.671 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.251 -7.000 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.747 -6.620 4.688 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.834 -5.093 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.459 -6.359 3.488 1.00 0.00 H new ATOM 714 N CYS A 431 7.522 -3.341 1.002 1.00 0.00 N ATOM 715 CA CYS A 431 8.403 -3.154 -0.126 1.00 0.00 C ATOM 716 C CYS A 431 9.431 -4.268 -0.169 1.00 0.00 C ATOM 717 O CYS A 431 10.354 -4.300 0.643 1.00 0.00 O ATOM 718 CB CYS A 431 9.118 -1.813 -0.034 1.00 0.00 C ATOM 719 SG CYS A 431 9.953 -1.331 -1.577 1.00 0.00 S ATOM 0 H CYS A 431 7.803 -2.841 1.846 1.00 0.00 H new ATOM 0 HA CYS A 431 7.802 -3.173 -1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.396 -1.042 0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.853 -1.856 0.770 1.00 0.00 H new ATOM 724 N MET A 432 9.259 -5.187 -1.102 1.00 0.00 N ATOM 725 CA MET A 432 10.220 -6.252 -1.293 1.00 0.00 C ATOM 726 C MET A 432 11.249 -5.799 -2.332 1.00 0.00 C ATOM 727 O MET A 432 11.350 -4.603 -2.619 1.00 0.00 O ATOM 728 CB MET A 432 9.507 -7.549 -1.710 1.00 0.00 C ATOM 729 CG MET A 432 9.198 -7.643 -3.189 1.00 0.00 C ATOM 730 SD MET A 432 8.300 -9.150 -3.622 1.00 0.00 S ATOM 731 CE MET A 432 9.450 -10.408 -3.066 1.00 0.00 C ATOM 0 H MET A 432 8.462 -5.215 -1.738 1.00 0.00 H new ATOM 0 HA MET A 432 10.740 -6.467 -0.359 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.128 -8.399 -1.426 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.576 -7.634 -1.150 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.609 -6.776 -3.488 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.130 -7.606 -3.753 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.226 -11.351 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.468 -10.103 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.356 -10.536 -1.988 1.00 0.00 H new ATOM 741 N GLU A 433 12.008 -6.731 -2.889 1.00 0.00 N ATOM 742 CA GLU A 433 13.066 -6.391 -3.836 1.00 0.00 C ATOM 743 C GLU A 433 12.517 -5.590 -5.014 1.00 0.00 C ATOM 744 O GLU A 433 13.032 -4.523 -5.347 1.00 0.00 O ATOM 745 CB GLU A 433 13.758 -7.658 -4.336 1.00 0.00 C ATOM 746 CG GLU A 433 14.906 -7.385 -5.292 1.00 0.00 C ATOM 747 CD GLU A 433 15.748 -8.612 -5.556 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.327 -9.469 -6.359 1.00 0.00 O ATOM 749 OE2 GLU A 433 16.840 -8.724 -4.959 1.00 0.00 O ATOM 0 H GLU A 433 11.913 -7.729 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 433 13.795 -5.770 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 433 14.134 -8.219 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 433 13.024 -8.291 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.507 -7.013 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.537 -6.598 -4.880 1.00 0.00 H new ATOM 756 N ASN A 434 11.464 -6.099 -5.625 1.00 0.00 N ATOM 757 CA ASN A 434 10.847 -5.427 -6.758 1.00 0.00 C ATOM 758 C ASN A 434 9.629 -4.605 -6.321 1.00 0.00 C ATOM 759 O ASN A 434 8.560 -4.660 -6.938 1.00 0.00 O ATOM 760 CB ASN A 434 10.482 -6.444 -7.853 1.00 0.00 C ATOM 761 CG ASN A 434 9.540 -7.543 -7.388 1.00 0.00 C ATOM 762 OD1 ASN A 434 9.490 -7.887 -6.212 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.808 -8.128 -8.321 1.00 0.00 N ATOM 0 H ASN A 434 11.016 -6.976 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 434 11.571 -4.728 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.022 -5.914 -8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.397 -6.900 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 434 8.178 -8.890 -8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 434 8.874 -7.817 -9.290 1.00 0.00 H new ATOM 770 N GLY A 435 9.805 -3.846 -5.240 1.00 0.00 N ATOM 771 CA GLY A 435 8.789 -2.904 -4.799 1.00 0.00 C ATOM 772 C GLY A 435 7.770 -3.516 -3.860 1.00 0.00 C ATOM 773 O GLY A 435 7.918 -4.665 -3.441 1.00 0.00 O ATOM 0 H GLY A 435 10.642 -3.868 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.274 -2.065 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.273 -2.502 -5.671 1.00 0.00 H new ATOM 777 N TRP A 436 6.741 -2.734 -3.516 1.00 0.00 N ATOM 778 CA TRP A 436 5.627 -3.214 -2.694 1.00 0.00 C ATOM 779 C TRP A 436 5.104 -4.544 -3.247 1.00 0.00 C ATOM 780 O TRP A 436 4.559 -4.594 -4.349 1.00 0.00 O ATOM 781 CB TRP A 436 4.478 -2.206 -2.720 1.00 0.00 C ATOM 782 CG TRP A 436 4.815 -0.802 -2.295 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.809 0.314 -3.088 1.00 0.00 C ATOM 784 CD2 TRP A 436 5.162 -0.353 -0.981 1.00 0.00 C ATOM 785 NE1 TRP A 436 5.118 1.424 -2.346 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.344 1.043 -1.053 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.336 -0.994 0.248 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.684 1.811 0.053 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.679 -0.232 1.349 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.848 1.159 1.245 1.00 0.00 C ATOM 0 H TRP A 436 6.658 -1.757 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 436 5.988 -3.343 -1.674 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.077 -2.170 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.682 -2.577 -2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.592 0.319 -4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.171 2.379 -2.701 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.205 -2.062 0.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.814 2.880 -0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.819 -0.714 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.113 1.726 2.125 1.00 0.00 H new ATOM 801 N SER A 437 5.257 -5.605 -2.467 1.00 0.00 N ATOM 802 CA SER A 437 4.914 -6.947 -2.914 1.00 0.00 C ATOM 803 C SER A 437 3.395 -7.123 -3.054 1.00 0.00 C ATOM 804 O SER A 437 2.919 -7.485 -4.129 1.00 0.00 O ATOM 805 CB SER A 437 5.540 -7.990 -1.987 1.00 0.00 C ATOM 806 OG SER A 437 5.027 -9.289 -2.231 1.00 0.00 O ATOM 0 H SER A 437 5.619 -5.561 -1.515 1.00 0.00 H new ATOM 0 HA SER A 437 5.331 -7.099 -3.910 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.621 -7.995 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.351 -7.714 -0.950 1.00 0.00 H new ATOM 0 HG SER A 437 5.451 -9.928 -1.621 1.00 0.00 H new ATOM 812 N PRO A 438 2.596 -6.860 -1.996 1.00 0.00 N ATOM 813 CA PRO A 438 1.136 -6.851 -2.120 1.00 0.00 C ATOM 814 C PRO A 438 0.668 -5.704 -3.005 1.00 0.00 C ATOM 815 O PRO A 438 -0.363 -5.806 -3.677 1.00 0.00 O ATOM 816 CB PRO A 438 0.652 -6.637 -0.683 1.00 0.00 C ATOM 817 CG PRO A 438 1.807 -7.031 0.164 1.00 0.00 C ATOM 818 CD PRO A 438 3.008 -6.597 -0.609 1.00 0.00 C ATOM 0 HA PRO A 438 0.752 -7.764 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.370 -5.598 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.225 -7.246 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.767 -6.546 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.818 -8.106 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.239 -5.544 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.897 -7.165 -0.334 1.00 0.00 H new ATOM 826 N THR A 439 1.460 -4.626 -3.005 1.00 0.00 N ATOM 827 CA THR A 439 1.146 -3.413 -3.749 1.00 0.00 C ATOM 828 C THR A 439 -0.027 -2.661 -3.110 1.00 0.00 C ATOM 829 O THR A 439 -1.100 -3.227 -2.912 1.00 0.00 O ATOM 830 CB THR A 439 0.829 -3.733 -5.224 1.00 0.00 C ATOM 831 OG1 THR A 439 1.946 -4.401 -5.831 1.00 0.00 O ATOM 832 CG2 THR A 439 0.509 -2.466 -6.002 1.00 0.00 C ATOM 0 H THR A 439 2.337 -4.576 -2.487 1.00 0.00 H new ATOM 0 HA THR A 439 2.027 -2.772 -3.715 1.00 0.00 H new ATOM 0 HB THR A 439 -0.045 -4.384 -5.249 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.709 -4.388 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.289 -2.721 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.357 -1.975 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.365 -1.792 -5.968 1.00 0.00 H new ATOM 840 N PRO A 440 0.177 -1.380 -2.752 1.00 0.00 N ATOM 841 CA PRO A 440 -0.883 -0.536 -2.204 1.00 0.00 C ATOM 842 C PRO A 440 -1.973 -0.278 -3.232 1.00 0.00 C ATOM 843 O PRO A 440 -1.889 0.645 -4.045 1.00 0.00 O ATOM 844 CB PRO A 440 -0.179 0.768 -1.824 1.00 0.00 C ATOM 845 CG PRO A 440 1.281 0.479 -1.886 1.00 0.00 C ATOM 846 CD PRO A 440 1.449 -0.660 -2.850 1.00 0.00 C ATOM 0 HA PRO A 440 -1.379 -1.006 -1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.447 1.571 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.471 1.092 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.836 1.355 -2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.666 0.214 -0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.632 -0.304 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.292 -1.295 -2.578 1.00 0.00 H new ATOM 854 N ARG A 441 -2.977 -1.125 -3.193 1.00 0.00 N ATOM 855 CA ARG A 441 -4.091 -1.078 -4.114 1.00 0.00 C ATOM 856 C ARG A 441 -5.313 -1.610 -3.394 1.00 0.00 C ATOM 857 O ARG A 441 -5.271 -1.803 -2.180 1.00 0.00 O ATOM 858 CB ARG A 441 -3.788 -1.934 -5.348 1.00 0.00 C ATOM 859 CG ARG A 441 -3.356 -3.349 -4.998 1.00 0.00 C ATOM 860 CD ARG A 441 -2.915 -4.132 -6.220 1.00 0.00 C ATOM 861 NE ARG A 441 -2.266 -5.385 -5.842 1.00 0.00 N ATOM 862 CZ ARG A 441 -2.465 -6.549 -6.459 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.282 -6.628 -7.502 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.830 -7.635 -6.039 1.00 0.00 N ATOM 0 H ARG A 441 -3.044 -1.879 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.266 -0.055 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.675 -1.977 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.003 -1.454 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.538 -3.310 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.182 -3.870 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.779 -4.343 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.228 -3.528 -6.813 1.00 0.00 H new ATOM 0 HE ARG A 441 -1.618 -5.368 -5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.763 -5.793 -7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.429 -7.523 -7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.191 -7.578 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -1.980 -8.528 -6.509 1.00 0.00 H new ATOM 878 N CYS A 442 -6.391 -1.850 -4.114 1.00 0.00 N ATOM 879 CA CYS A 442 -7.560 -2.448 -3.505 1.00 0.00 C ATOM 880 C CYS A 442 -8.550 -2.914 -4.553 1.00 0.00 C ATOM 881 O CYS A 442 -8.824 -2.213 -5.528 1.00 0.00 O ATOM 882 CB CYS A 442 -8.233 -1.467 -2.548 1.00 0.00 C ATOM 883 SG CYS A 442 -8.780 0.085 -3.331 1.00 0.00 S ATOM 0 H CYS A 442 -6.481 -1.643 -5.109 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.227 -3.318 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -9.095 -1.955 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.539 -1.229 -1.742 1.00 0.00 H new ATOM 888 N ILE A 443 -9.058 -4.111 -4.350 1.00 0.00 N ATOM 889 CA ILE A 443 -10.133 -4.640 -5.147 1.00 0.00 C ATOM 890 C ILE A 443 -11.399 -4.667 -4.310 1.00 0.00 C ATOM 891 O ILE A 443 -11.332 -4.736 -3.081 1.00 0.00 O ATOM 892 CB ILE A 443 -9.815 -6.053 -5.654 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.098 -6.880 -4.583 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.982 -5.982 -6.926 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.996 -8.351 -4.929 1.00 0.00 C ATOM 0 H ILE A 443 -8.731 -4.745 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.268 -3.998 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.758 -6.551 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.095 -6.479 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.627 -6.773 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.764 -6.991 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.537 -5.445 -7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -8.048 -5.459 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.477 -8.878 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.996 -8.767 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.441 -8.468 -5.860 1.00 0.00 H new ATOM 907 N ARG A 444 -12.544 -4.595 -4.964 1.00 0.00 N ATOM 908 CA ARG A 444 -13.796 -4.516 -4.273 1.00 0.00 C ATOM 909 C ARG A 444 -14.218 -5.871 -3.747 1.00 0.00 C ATOM 910 O ARG A 444 -14.275 -6.858 -4.481 1.00 0.00 O ATOM 911 CB ARG A 444 -14.850 -3.924 -5.202 1.00 0.00 C ATOM 912 CG ARG A 444 -16.208 -3.866 -4.567 1.00 0.00 C ATOM 913 CD ARG A 444 -17.181 -3.010 -5.354 1.00 0.00 C ATOM 914 NE ARG A 444 -18.476 -2.915 -4.685 1.00 0.00 N ATOM 915 CZ ARG A 444 -19.646 -2.907 -5.320 1.00 0.00 C ATOM 916 NH1 ARG A 444 -19.688 -2.959 -6.646 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.777 -2.840 -4.627 1.00 0.00 N ATOM 0 H ARG A 444 -12.621 -4.590 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.684 -3.863 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.547 -2.919 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.903 -4.521 -6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.607 -4.876 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.116 -3.470 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.764 -2.011 -5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.315 -3.433 -6.350 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.484 -2.851 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.822 -3.005 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.587 -2.953 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.749 -2.795 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.674 -2.834 -5.113 1.00 0.00 H new ATOM 931 N VAL A 445 -14.503 -5.897 -2.459 1.00 0.00 N ATOM 932 CA VAL A 445 -14.884 -7.110 -1.778 1.00 0.00 C ATOM 933 C VAL A 445 -16.393 -7.099 -1.506 1.00 0.00 C ATOM 934 O VAL A 445 -16.918 -7.911 -0.743 1.00 0.00 O ATOM 935 CB VAL A 445 -14.075 -7.258 -0.471 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.515 -6.245 0.576 1.00 0.00 C ATOM 937 CG2 VAL A 445 -14.150 -8.677 0.070 1.00 0.00 C ATOM 0 H VAL A 445 -14.475 -5.073 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.660 -7.970 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.032 -7.050 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.924 -6.379 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.366 -5.236 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.570 -6.394 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.570 -8.747 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -15.189 -8.933 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.745 -9.370 -0.668 1.00 0.00 H new ATOM 947 N LYS A 446 -17.069 -6.154 -2.161 1.00 0.00 N ATOM 948 CA LYS A 446 -18.517 -6.018 -2.127 1.00 0.00 C ATOM 949 C LYS A 446 -19.022 -5.643 -0.739 1.00 0.00 C ATOM 950 O LYS A 446 -19.411 -6.547 0.029 1.00 0.00 O ATOM 951 CB LYS A 446 -19.183 -7.294 -2.613 1.00 0.00 C ATOM 952 CG LYS A 446 -18.812 -7.682 -4.037 1.00 0.00 C ATOM 953 CD LYS A 446 -19.537 -8.946 -4.470 1.00 0.00 C ATOM 954 CE LYS A 446 -21.045 -8.748 -4.481 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.765 -9.991 -4.854 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.047 -4.437 -0.427 1.00 0.00 O ATOM 0 H LYS A 446 -16.612 -5.450 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.784 -5.203 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.913 -8.110 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -20.265 -7.174 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -19.061 -6.866 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -17.735 -7.836 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.200 -9.237 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.281 -9.763 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.375 -8.419 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -21.302 -7.955 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.790 -9.813 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -21.470 -10.291 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.541 -10.741 -4.169 1.00 0.00 H new