USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 408 GLN : amide:sc= -11.1! C(o=-11!,f=-6.3!) USER MOD Set 1.2: A 432 MET CE :methyl 155:sc= -0.214 (180deg=-0.826) USER MOD Set 2.1: A 411 SER OG : rot 180:sc=-0.00158 USER MOD Set 2.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ -171:sc= -0.0963 (180deg=-0.15) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.0039) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.605 X(o=-0.61,f=-0.32) USER MOD Single : A 400 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 401 ASN : amide:sc= -0.0523 K(o=-0.052,f=-6.8!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=0.85) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 162:sc= -0.0775 (180deg=-0.491) USER MOD Single : A 426 GLN : amide:sc= -0.988 K(o=-0.99,f=-2.5!) USER MOD Single : A 427 THR OG1 : rot 99:sc= 1.28 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 434 ASN : amide:sc= 0.75 K(o=0.75,f=-0.15) USER MOD Single : A 437 SER OG : rot -139:sc= -4.48! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 14.785 -1.007 -3.349 1.00 0.00 N ATOM 21 CA ARG A 387 14.146 -0.298 -2.288 1.00 0.00 C ATOM 22 C ARG A 387 13.793 1.154 -2.541 1.00 0.00 C ATOM 23 O ARG A 387 13.871 1.681 -3.648 1.00 0.00 O ATOM 24 CB ARG A 387 15.084 -0.431 -1.140 1.00 0.00 C ATOM 25 CG ARG A 387 15.599 -1.840 -1.049 1.00 0.00 C ATOM 26 CD ARG A 387 17.100 -1.899 -1.138 1.00 0.00 C ATOM 27 NE ARG A 387 17.751 -1.556 0.118 1.00 0.00 N ATOM 28 CZ ARG A 387 18.747 -0.683 0.221 1.00 0.00 C ATOM 29 NH1 ARG A 387 19.174 -0.032 -0.855 1.00 0.00 N ATOM 30 NH2 ARG A 387 19.310 -0.463 1.399 1.00 0.00 N ATOM 0 HA ARG A 387 13.159 -0.732 -2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.917 0.261 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.577 -0.161 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.274 -2.285 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.165 -2.437 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 387 17.403 -2.902 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 387 17.441 -1.217 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 387 17.423 -2.013 0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 387 18.737 -0.202 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 387 19.939 0.638 -0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 387 18.979 -0.963 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 387 20.075 0.207 1.482 1.00 0.00 H new ATOM 44 N LYS A 388 13.425 1.770 -1.441 1.00 0.00 N ATOM 45 CA LYS A 388 12.811 3.079 -1.396 1.00 0.00 C ATOM 46 C LYS A 388 11.585 3.159 -2.297 1.00 0.00 C ATOM 47 O LYS A 388 11.542 3.916 -3.269 1.00 0.00 O ATOM 48 CB LYS A 388 13.791 4.182 -1.718 1.00 0.00 C ATOM 49 CG LYS A 388 14.926 4.330 -0.707 1.00 0.00 C ATOM 50 CD LYS A 388 16.059 3.351 -0.970 1.00 0.00 C ATOM 51 CE LYS A 388 17.200 3.998 -1.741 1.00 0.00 C ATOM 52 NZ LYS A 388 16.746 4.639 -3.006 1.00 0.00 N ATOM 0 H LYS A 388 13.550 1.357 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 388 12.481 3.229 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.219 3.995 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.250 5.126 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.312 5.349 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.537 4.172 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.434 2.966 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.679 2.498 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.681 4.746 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.952 3.243 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.574 4.929 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.178 3.962 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.168 5.475 -2.784 1.00 0.00 H new ATOM 66 N CYS A 389 10.605 2.347 -1.958 1.00 0.00 N ATOM 67 CA CYS A 389 9.308 2.357 -2.625 1.00 0.00 C ATOM 68 C CYS A 389 8.571 3.656 -2.324 1.00 0.00 C ATOM 69 O CYS A 389 8.518 4.088 -1.171 1.00 0.00 O ATOM 70 CB CYS A 389 8.447 1.186 -2.144 1.00 0.00 C ATOM 71 SG CYS A 389 9.303 -0.422 -2.090 1.00 0.00 S ATOM 0 H CYS A 389 10.680 1.657 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 389 9.482 2.267 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.072 1.415 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.580 1.098 -2.799 1.00 0.00 H new ATOM 76 N TYR A 390 8.007 4.268 -3.352 1.00 0.00 N ATOM 77 CA TYR A 390 7.221 5.480 -3.182 1.00 0.00 C ATOM 78 C TYR A 390 5.753 5.121 -2.991 1.00 0.00 C ATOM 79 O TYR A 390 5.210 4.302 -3.732 1.00 0.00 O ATOM 80 CB TYR A 390 7.389 6.389 -4.401 1.00 0.00 C ATOM 81 CG TYR A 390 6.614 7.684 -4.313 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.091 8.751 -3.564 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.406 7.838 -4.981 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.383 9.935 -3.485 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.695 9.020 -4.908 1.00 0.00 C ATOM 86 CZ TYR A 390 5.187 10.063 -4.159 1.00 0.00 C ATOM 87 OH TYR A 390 4.484 11.243 -4.086 1.00 0.00 O ATOM 0 H TYR A 390 8.079 3.944 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 390 7.573 6.012 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.447 6.618 -4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.072 5.847 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.028 8.654 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.016 7.019 -5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.765 10.757 -2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.759 9.124 -5.436 1.00 0.00 H new ATOM 0 HH TYR A 390 3.664 11.169 -4.618 1.00 0.00 H new ATOM 97 N PHE A 391 5.119 5.712 -1.989 1.00 0.00 N ATOM 98 CA PHE A 391 3.715 5.445 -1.717 1.00 0.00 C ATOM 99 C PHE A 391 2.826 6.474 -2.410 1.00 0.00 C ATOM 100 O PHE A 391 2.824 7.654 -2.046 1.00 0.00 O ATOM 101 CB PHE A 391 3.454 5.454 -0.215 1.00 0.00 C ATOM 102 CG PHE A 391 2.154 4.803 0.170 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.978 5.532 0.198 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.115 3.460 0.505 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.213 4.937 0.553 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.926 2.858 0.861 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.241 3.598 0.886 1.00 0.00 C ATOM 0 H PHE A 391 5.554 6.379 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 391 3.473 4.458 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.272 4.942 0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.455 6.485 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.994 6.580 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.025 2.878 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.123 5.518 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.907 1.810 1.120 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.173 3.129 1.166 1.00 0.00 H new ATOM 117 N PRO A 392 2.064 6.035 -3.420 1.00 0.00 N ATOM 118 CA PRO A 392 1.201 6.904 -4.203 1.00 0.00 C ATOM 119 C PRO A 392 -0.232 6.981 -3.669 1.00 0.00 C ATOM 120 O PRO A 392 -0.513 6.615 -2.526 1.00 0.00 O ATOM 121 CB PRO A 392 1.228 6.218 -5.563 1.00 0.00 C ATOM 122 CG PRO A 392 1.330 4.760 -5.250 1.00 0.00 C ATOM 123 CD PRO A 392 1.999 4.644 -3.898 1.00 0.00 C ATOM 0 HA PRO A 392 1.538 7.941 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.327 6.438 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.075 6.555 -6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.342 4.299 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.910 4.241 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.424 4.014 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.992 4.202 -3.979 1.00 0.00 H new ATOM 131 N TYR A 393 -1.129 7.467 -4.515 1.00 0.00 N ATOM 132 CA TYR A 393 -2.531 7.636 -4.161 1.00 0.00 C ATOM 133 C TYR A 393 -3.302 6.336 -4.404 1.00 0.00 C ATOM 134 O TYR A 393 -3.068 5.643 -5.394 1.00 0.00 O ATOM 135 CB TYR A 393 -3.114 8.789 -4.988 1.00 0.00 C ATOM 136 CG TYR A 393 -4.512 9.203 -4.598 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.780 9.722 -3.337 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.562 9.085 -5.496 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.060 10.107 -2.984 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.841 9.468 -5.151 1.00 0.00 C ATOM 141 CZ TYR A 393 -7.087 9.978 -3.896 1.00 0.00 C ATOM 142 OH TYR A 393 -8.367 10.347 -3.550 1.00 0.00 O ATOM 0 H TYR A 393 -0.905 7.756 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.620 7.877 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.455 9.653 -4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -3.116 8.499 -6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.977 9.826 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -5.375 8.686 -6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.255 10.507 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.647 9.368 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.968 10.192 -4.308 1.00 0.00 H new ATOM 152 N LEU A 394 -4.225 6.011 -3.501 1.00 0.00 N ATOM 153 CA LEU A 394 -4.933 4.729 -3.552 1.00 0.00 C ATOM 154 C LEU A 394 -6.198 4.808 -4.401 1.00 0.00 C ATOM 155 O LEU A 394 -7.051 3.924 -4.316 1.00 0.00 O ATOM 156 CB LEU A 394 -5.307 4.239 -2.141 1.00 0.00 C ATOM 157 CG LEU A 394 -4.139 3.955 -1.186 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.068 3.124 -1.874 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.555 5.248 -0.637 1.00 0.00 C ATOM 0 H LEU A 394 -4.501 6.614 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.246 4.019 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.952 4.987 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.896 3.328 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.525 3.379 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.251 2.935 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.496 2.175 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.689 3.665 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.730 5.017 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -3.190 5.861 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -4.326 5.793 -0.092 1.00 0.00 H new ATOM 171 N GLU A 395 -6.309 5.865 -5.213 1.00 0.00 N ATOM 172 CA GLU A 395 -7.473 6.091 -6.084 1.00 0.00 C ATOM 173 C GLU A 395 -8.728 6.396 -5.272 1.00 0.00 C ATOM 174 O GLU A 395 -9.246 7.512 -5.284 1.00 0.00 O ATOM 175 CB GLU A 395 -7.743 4.873 -6.977 1.00 0.00 C ATOM 176 CG GLU A 395 -6.594 4.509 -7.890 1.00 0.00 C ATOM 177 CD GLU A 395 -6.328 5.573 -8.931 1.00 0.00 C ATOM 178 OE1 GLU A 395 -6.981 5.551 -9.990 1.00 0.00 O ATOM 179 OE2 GLU A 395 -5.466 6.443 -8.695 1.00 0.00 O ATOM 0 H GLU A 395 -5.595 6.590 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.234 6.952 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.975 4.016 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.627 5.070 -7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -5.695 4.354 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.813 3.564 -8.387 1.00 0.00 H new ATOM 186 N ASN A 396 -9.206 5.382 -4.586 1.00 0.00 N ATOM 187 CA ASN A 396 -10.415 5.464 -3.790 1.00 0.00 C ATOM 188 C ASN A 396 -10.163 4.881 -2.410 1.00 0.00 C ATOM 189 O ASN A 396 -10.957 4.101 -1.891 1.00 0.00 O ATOM 190 CB ASN A 396 -11.580 4.736 -4.488 1.00 0.00 C ATOM 191 CG ASN A 396 -11.158 3.496 -5.274 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.751 3.181 -6.306 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.155 2.767 -4.794 1.00 0.00 N ATOM 0 H ASN A 396 -8.762 4.464 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.695 6.512 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.314 4.445 -3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.075 5.431 -5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -9.859 1.922 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.682 3.052 -3.937 1.00 0.00 H new ATOM 200 N GLY A 397 -9.035 5.268 -1.826 1.00 0.00 N ATOM 201 CA GLY A 397 -8.660 4.788 -0.511 1.00 0.00 C ATOM 202 C GLY A 397 -8.000 5.868 0.322 1.00 0.00 C ATOM 203 O GLY A 397 -7.775 6.983 -0.162 1.00 0.00 O ATOM 0 H GLY A 397 -8.367 5.914 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.546 4.422 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.979 3.943 -0.614 1.00 0.00 H new ATOM 207 N TYR A 398 -7.675 5.543 1.565 1.00 0.00 N ATOM 208 CA TYR A 398 -7.113 6.512 2.491 1.00 0.00 C ATOM 209 C TYR A 398 -5.596 6.556 2.390 1.00 0.00 C ATOM 210 O TYR A 398 -4.910 5.560 2.632 1.00 0.00 O ATOM 211 CB TYR A 398 -7.537 6.183 3.921 1.00 0.00 C ATOM 212 CG TYR A 398 -9.016 6.396 4.178 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.954 5.450 3.785 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.470 7.548 4.808 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.302 5.646 4.015 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.815 7.750 5.042 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.725 6.799 4.644 1.00 0.00 C ATOM 218 OH TYR A 398 -13.066 7.000 4.873 1.00 0.00 O ATOM 0 H TYR A 398 -7.793 4.608 1.956 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.497 7.496 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.285 5.145 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.964 6.800 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.624 4.547 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.758 8.298 5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.020 4.902 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.151 8.650 5.535 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.195 7.860 5.325 1.00 0.00 H new ATOM 228 N ASN A 399 -5.078 7.717 2.031 1.00 0.00 N ATOM 229 CA ASN A 399 -3.644 7.905 1.900 1.00 0.00 C ATOM 230 C ASN A 399 -3.021 8.309 3.232 1.00 0.00 C ATOM 231 O ASN A 399 -2.873 9.489 3.532 1.00 0.00 O ATOM 232 CB ASN A 399 -3.321 8.945 0.819 1.00 0.00 C ATOM 233 CG ASN A 399 -4.183 10.195 0.899 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.844 11.161 1.579 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.296 10.187 0.186 1.00 0.00 N ATOM 0 H ASN A 399 -5.632 8.548 1.824 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.212 6.952 1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.273 9.231 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.449 8.488 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.908 11.003 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.542 9.365 -0.366 1.00 0.00 H new ATOM 242 N GLN A 400 -2.674 7.316 4.037 1.00 0.00 N ATOM 243 CA GLN A 400 -2.007 7.565 5.305 1.00 0.00 C ATOM 244 C GLN A 400 -0.515 7.826 5.111 1.00 0.00 C ATOM 245 O GLN A 400 0.139 8.389 5.989 1.00 0.00 O ATOM 246 CB GLN A 400 -2.195 6.380 6.251 1.00 0.00 C ATOM 247 CG GLN A 400 -3.596 6.259 6.825 1.00 0.00 C ATOM 248 CD GLN A 400 -3.729 5.076 7.762 1.00 0.00 C ATOM 249 OE1 GLN A 400 -2.760 4.654 8.391 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.932 4.544 7.877 1.00 0.00 N ATOM 0 H GLN A 400 -2.843 6.331 3.834 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.461 8.455 5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.952 5.461 5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.484 6.469 7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -3.848 7.175 7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.313 6.158 6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.711 4.923 7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.083 3.754 8.505 1.00 0.00 H new ATOM 259 N ASN A 401 0.025 7.416 3.966 1.00 0.00 N ATOM 260 CA ASN A 401 1.465 7.518 3.730 1.00 0.00 C ATOM 261 C ASN A 401 1.783 8.028 2.330 1.00 0.00 C ATOM 262 O ASN A 401 2.837 7.712 1.780 1.00 0.00 O ATOM 263 CB ASN A 401 2.145 6.158 3.938 1.00 0.00 C ATOM 264 CG ASN A 401 2.185 5.728 5.393 1.00 0.00 C ATOM 265 OD1 ASN A 401 3.124 6.045 6.120 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.171 4.994 5.827 1.00 0.00 N ATOM 0 H ASN A 401 -0.505 7.014 3.193 1.00 0.00 H new ATOM 0 HA ASN A 401 1.851 8.238 4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.617 5.402 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.163 6.205 3.551 1.00 0.00 H new ATOM 0 HD21 ASN A 401 1.152 4.672 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.409 4.751 5.193 1.00 0.00 H new ATOM 273 N TYR A 402 0.897 8.828 1.761 1.00 0.00 N ATOM 274 CA TYR A 402 1.091 9.317 0.401 1.00 0.00 C ATOM 275 C TYR A 402 2.253 10.300 0.345 1.00 0.00 C ATOM 276 O TYR A 402 2.267 11.309 1.051 1.00 0.00 O ATOM 277 CB TYR A 402 -0.190 9.960 -0.139 1.00 0.00 C ATOM 278 CG TYR A 402 0.008 10.774 -1.401 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.173 10.155 -2.632 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.027 12.163 -1.356 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.353 10.895 -3.783 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.206 12.910 -2.502 1.00 0.00 C ATOM 283 CZ TYR A 402 0.369 12.271 -3.712 1.00 0.00 C ATOM 284 OH TYR A 402 0.549 13.013 -4.858 1.00 0.00 O ATOM 0 H TYR A 402 0.042 9.152 2.213 1.00 0.00 H new ATOM 0 HA TYR A 402 1.332 8.464 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.921 9.176 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.613 10.603 0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.160 9.077 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.100 12.666 -0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 402 0.481 10.399 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.218 13.989 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 402 0.534 13.967 -4.636 1.00 0.00 H new ATOM 294 N GLY A 403 3.231 9.980 -0.484 1.00 0.00 N ATOM 295 CA GLY A 403 4.385 10.841 -0.642 1.00 0.00 C ATOM 296 C GLY A 403 5.579 10.335 0.135 1.00 0.00 C ATOM 297 O GLY A 403 6.651 10.940 0.113 1.00 0.00 O ATOM 0 H GLY A 403 3.248 9.135 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.643 10.911 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 403 4.135 11.848 -0.308 1.00 0.00 H new ATOM 301 N ARG A 404 5.393 9.217 0.817 1.00 0.00 N ATOM 302 CA ARG A 404 6.442 8.644 1.641 1.00 0.00 C ATOM 303 C ARG A 404 7.185 7.541 0.902 1.00 0.00 C ATOM 304 O ARG A 404 6.646 6.918 -0.013 1.00 0.00 O ATOM 305 CB ARG A 404 5.854 8.098 2.940 1.00 0.00 C ATOM 306 CG ARG A 404 5.318 9.182 3.857 1.00 0.00 C ATOM 307 CD ARG A 404 4.712 8.599 5.119 1.00 0.00 C ATOM 308 NE ARG A 404 4.234 9.639 6.028 1.00 0.00 N ATOM 309 CZ ARG A 404 3.864 9.416 7.287 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.819 8.177 7.760 1.00 0.00 N ATOM 311 NH2 ARG A 404 3.501 10.432 8.056 1.00 0.00 N ATOM 0 H ARG A 404 4.521 8.687 0.815 1.00 0.00 H new ATOM 0 HA ARG A 404 7.154 9.435 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.050 7.402 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.621 7.531 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 404 6.124 9.866 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.565 9.767 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.884 7.941 4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.455 7.986 5.628 1.00 0.00 H new ATOM 0 HE ARG A 404 4.181 10.595 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.068 7.392 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.535 8.010 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.506 11.381 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 404 3.217 10.265 9.021 1.00 0.00 H new ATOM 325 N LYS A 405 8.427 7.319 1.300 1.00 0.00 N ATOM 326 CA LYS A 405 9.246 6.270 0.734 1.00 0.00 C ATOM 327 C LYS A 405 9.812 5.395 1.839 1.00 0.00 C ATOM 328 O LYS A 405 10.235 5.892 2.885 1.00 0.00 O ATOM 329 CB LYS A 405 10.365 6.881 -0.097 1.00 0.00 C ATOM 330 CG LYS A 405 9.891 7.403 -1.443 1.00 0.00 C ATOM 331 CD LYS A 405 10.897 8.347 -2.079 1.00 0.00 C ATOM 332 CE LYS A 405 11.083 9.603 -1.246 1.00 0.00 C ATOM 333 NZ LYS A 405 11.869 10.638 -1.967 1.00 0.00 N ATOM 0 H LYS A 405 8.892 7.864 2.026 1.00 0.00 H new ATOM 0 HA LYS A 405 8.632 5.646 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.821 7.698 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.141 6.132 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.710 6.563 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.940 7.920 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.854 7.838 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.561 8.619 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.107 10.009 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.588 9.348 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.973 11.478 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.810 10.260 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 11.375 10.901 -2.844 1.00 0.00 H new ATOM 347 N PHE A 406 9.817 4.097 1.600 1.00 0.00 N ATOM 348 CA PHE A 406 10.195 3.129 2.622 1.00 0.00 C ATOM 349 C PHE A 406 11.252 2.168 2.096 1.00 0.00 C ATOM 350 O PHE A 406 11.396 1.995 0.885 1.00 0.00 O ATOM 351 CB PHE A 406 8.963 2.339 3.081 1.00 0.00 C ATOM 352 CG PHE A 406 7.902 3.182 3.731 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.948 3.448 5.089 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.860 3.703 2.983 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.974 4.220 5.690 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.883 4.477 3.579 1.00 0.00 C ATOM 357 CZ PHE A 406 5.940 4.736 4.934 1.00 0.00 C ATOM 0 H PHE A 406 9.563 3.683 0.703 1.00 0.00 H new ATOM 0 HA PHE A 406 10.612 3.675 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.530 1.829 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.280 1.568 3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.755 3.047 5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.810 3.502 1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.021 4.420 6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.075 4.879 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.177 5.341 5.402 1.00 0.00 H new ATOM 367 N VAL A 407 11.986 1.549 3.015 1.00 0.00 N ATOM 368 CA VAL A 407 13.018 0.577 2.660 1.00 0.00 C ATOM 369 C VAL A 407 12.380 -0.754 2.268 1.00 0.00 C ATOM 370 O VAL A 407 11.261 -1.058 2.681 1.00 0.00 O ATOM 371 CB VAL A 407 14.004 0.348 3.831 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.670 1.655 4.235 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.301 -0.285 5.023 1.00 0.00 C ATOM 0 H VAL A 407 11.885 1.704 4.018 1.00 0.00 H new ATOM 0 HA VAL A 407 13.573 0.981 1.813 1.00 0.00 H new ATOM 0 HB VAL A 407 14.776 -0.342 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.359 1.473 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.220 2.061 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.909 2.369 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.018 -0.434 5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.501 0.372 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 407 12.880 -1.246 4.729 1.00 0.00 H new ATOM 383 N GLN A 408 13.080 -1.552 1.469 1.00 0.00 N ATOM 384 CA GLN A 408 12.540 -2.836 1.047 1.00 0.00 C ATOM 385 C GLN A 408 12.669 -3.847 2.176 1.00 0.00 C ATOM 386 O GLN A 408 13.754 -4.082 2.707 1.00 0.00 O ATOM 387 CB GLN A 408 13.205 -3.337 -0.243 1.00 0.00 C ATOM 388 CG GLN A 408 13.112 -4.835 -0.461 1.00 0.00 C ATOM 389 CD GLN A 408 14.125 -5.361 -1.471 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.473 -6.539 -1.468 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.647 -4.471 -2.297 1.00 0.00 N ATOM 0 H GLN A 408 14.008 -1.336 1.106 1.00 0.00 H new ATOM 0 HA GLN A 408 11.482 -2.707 0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 408 12.747 -2.830 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.256 -3.050 -0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.261 -5.344 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.107 -5.084 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.331 -3.502 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.366 -4.754 -2.963 1.00 0.00 H new ATOM 400 N GLY A 409 11.542 -4.422 2.533 1.00 0.00 N ATOM 401 CA GLY A 409 11.465 -5.282 3.696 1.00 0.00 C ATOM 402 C GLY A 409 10.639 -4.624 4.774 1.00 0.00 C ATOM 403 O GLY A 409 10.524 -5.119 5.895 1.00 0.00 O ATOM 0 H GLY A 409 10.661 -4.309 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.022 -6.239 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.467 -5.490 4.071 1.00 0.00 H new ATOM 407 N LYS A 410 10.067 -3.486 4.411 1.00 0.00 N ATOM 408 CA LYS A 410 9.216 -2.723 5.297 1.00 0.00 C ATOM 409 C LYS A 410 7.767 -2.925 4.892 1.00 0.00 C ATOM 410 O LYS A 410 7.470 -3.120 3.717 1.00 0.00 O ATOM 411 CB LYS A 410 9.580 -1.241 5.208 1.00 0.00 C ATOM 412 CG LYS A 410 8.665 -0.323 5.991 1.00 0.00 C ATOM 413 CD LYS A 410 8.744 -0.580 7.483 1.00 0.00 C ATOM 414 CE LYS A 410 7.737 0.264 8.243 1.00 0.00 C ATOM 415 NZ LYS A 410 7.721 -0.073 9.687 1.00 0.00 N ATOM 0 H LYS A 410 10.184 -3.068 3.488 1.00 0.00 H new ATOM 0 HA LYS A 410 9.356 -3.061 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.601 -1.108 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 410 9.568 -0.939 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.931 0.714 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 410 7.638 -0.461 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.561 -1.636 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.750 -0.358 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 410 7.978 1.320 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.743 0.112 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 7.022 0.523 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 7.467 -1.074 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 8.663 0.096 10.093 1.00 0.00 H new ATOM 429 N SER A 411 6.876 -2.868 5.854 1.00 0.00 N ATOM 430 CA SER A 411 5.465 -3.058 5.586 1.00 0.00 C ATOM 431 C SER A 411 4.657 -1.931 6.205 1.00 0.00 C ATOM 432 O SER A 411 5.118 -1.247 7.121 1.00 0.00 O ATOM 433 CB SER A 411 4.999 -4.415 6.119 1.00 0.00 C ATOM 434 OG SER A 411 3.645 -4.678 5.790 1.00 0.00 O ATOM 0 H SER A 411 7.102 -2.691 6.833 1.00 0.00 H new ATOM 0 HA SER A 411 5.307 -3.043 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.631 -5.202 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.121 -4.440 7.202 1.00 0.00 H new ATOM 0 HG SER A 411 3.386 -5.554 6.146 1.00 0.00 H new ATOM 440 N ILE A 412 3.463 -1.742 5.686 1.00 0.00 N ATOM 441 CA ILE A 412 2.581 -0.681 6.142 1.00 0.00 C ATOM 442 C ILE A 412 1.138 -1.030 5.824 1.00 0.00 C ATOM 443 O ILE A 412 0.837 -1.579 4.763 1.00 0.00 O ATOM 444 CB ILE A 412 2.960 0.685 5.512 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.114 1.815 6.105 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.815 0.652 3.995 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.353 2.038 7.584 1.00 0.00 C ATOM 0 H ILE A 412 3.074 -2.316 4.938 1.00 0.00 H new ATOM 0 HA ILE A 412 2.696 -0.589 7.222 1.00 0.00 H new ATOM 0 HB ILE A 412 4.006 0.878 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.328 2.739 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.059 1.590 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.088 1.623 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.472 -0.114 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.782 0.424 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.720 2.853 7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.111 1.128 8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.400 2.294 7.749 1.00 0.00 H new ATOM 459 N ASP A 413 0.259 -0.741 6.762 1.00 0.00 N ATOM 460 CA ASP A 413 -1.146 -1.068 6.620 1.00 0.00 C ATOM 461 C ASP A 413 -1.886 0.080 5.950 1.00 0.00 C ATOM 462 O ASP A 413 -1.708 1.245 6.312 1.00 0.00 O ATOM 463 CB ASP A 413 -1.741 -1.362 7.990 1.00 0.00 C ATOM 464 CG ASP A 413 -3.192 -1.799 7.932 1.00 0.00 C ATOM 465 OD1 ASP A 413 -4.082 -0.929 8.007 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.449 -3.023 7.840 1.00 0.00 O ATOM 0 H ASP A 413 0.496 -0.276 7.639 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.250 -1.953 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.153 -2.142 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.662 -0.470 8.612 1.00 0.00 H new ATOM 471 N VAL A 414 -2.702 -0.259 4.974 1.00 0.00 N ATOM 472 CA VAL A 414 -3.428 0.726 4.188 1.00 0.00 C ATOM 473 C VAL A 414 -4.924 0.454 4.258 1.00 0.00 C ATOM 474 O VAL A 414 -5.364 -0.687 4.102 1.00 0.00 O ATOM 475 CB VAL A 414 -2.983 0.701 2.707 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.642 1.826 1.921 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.468 0.782 2.593 1.00 0.00 C ATOM 0 H VAL A 414 -2.883 -1.225 4.700 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.207 1.708 4.606 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.306 -0.247 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.312 1.786 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.725 1.713 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.361 2.786 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.181 0.763 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.118 1.709 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.018 -0.067 3.108 1.00 0.00 H new ATOM 487 N ALA A 415 -5.703 1.497 4.494 1.00 0.00 N ATOM 488 CA ALA A 415 -7.146 1.358 4.582 1.00 0.00 C ATOM 489 C ALA A 415 -7.819 1.990 3.372 1.00 0.00 C ATOM 490 O ALA A 415 -7.538 3.137 3.024 1.00 0.00 O ATOM 491 CB ALA A 415 -7.663 1.992 5.867 1.00 0.00 C ATOM 0 H ALA A 415 -5.360 2.448 4.628 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.389 0.296 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.746 1.880 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.206 1.499 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.407 3.052 5.878 1.00 0.00 H new ATOM 497 N CYS A 416 -8.681 1.236 2.716 1.00 0.00 N ATOM 498 CA CYS A 416 -9.472 1.776 1.621 1.00 0.00 C ATOM 499 C CYS A 416 -10.872 2.083 2.137 1.00 0.00 C ATOM 500 O CYS A 416 -11.102 2.074 3.348 1.00 0.00 O ATOM 501 CB CYS A 416 -9.551 0.784 0.449 1.00 0.00 C ATOM 502 SG CYS A 416 -9.585 1.587 -1.190 1.00 0.00 S ATOM 0 H CYS A 416 -8.853 0.251 2.919 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.996 2.685 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.695 0.110 0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.445 0.171 0.562 1.00 0.00 H new ATOM 507 N HIS A 417 -11.798 2.376 1.244 1.00 0.00 N ATOM 508 CA HIS A 417 -13.193 2.489 1.643 1.00 0.00 C ATOM 509 C HIS A 417 -13.808 1.096 1.704 1.00 0.00 C ATOM 510 O HIS A 417 -13.293 0.158 1.091 1.00 0.00 O ATOM 511 CB HIS A 417 -13.994 3.379 0.687 1.00 0.00 C ATOM 512 CG HIS A 417 -13.588 4.821 0.709 1.00 0.00 C ATOM 513 ND1 HIS A 417 -14.203 5.766 1.499 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.623 5.478 0.032 1.00 0.00 C ATOM 515 CE1 HIS A 417 -13.635 6.940 1.303 1.00 0.00 C ATOM 516 NE2 HIS A 417 -12.672 6.791 0.419 1.00 0.00 N ATOM 0 H HIS A 417 -11.618 2.538 0.253 1.00 0.00 H new ATOM 0 HA HIS A 417 -13.230 2.959 2.626 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.882 2.997 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -15.052 3.306 0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.938 5.048 -0.683 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -13.913 7.865 1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -12.061 7.533 0.077 1.00 0.00 H new ATOM 525 N PRO A 418 -14.892 0.945 2.471 1.00 0.00 N ATOM 526 CA PRO A 418 -15.599 -0.328 2.627 1.00 0.00 C ATOM 527 C PRO A 418 -16.002 -0.929 1.290 1.00 0.00 C ATOM 528 O PRO A 418 -16.879 -0.409 0.596 1.00 0.00 O ATOM 529 CB PRO A 418 -16.837 0.051 3.438 1.00 0.00 C ATOM 530 CG PRO A 418 -16.429 1.265 4.181 1.00 0.00 C ATOM 531 CD PRO A 418 -15.523 2.014 3.254 1.00 0.00 C ATOM 0 HA PRO A 418 -14.977 -1.085 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.691 0.249 2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.130 -0.751 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.295 1.867 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.916 1.005 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -16.077 2.705 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.786 2.603 3.799 1.00 0.00 H new ATOM 539 N GLY A 419 -15.363 -2.029 0.941 1.00 0.00 N ATOM 540 CA GLY A 419 -15.618 -2.659 -0.333 1.00 0.00 C ATOM 541 C GLY A 419 -14.371 -2.760 -1.179 1.00 0.00 C ATOM 542 O GLY A 419 -14.372 -3.422 -2.218 1.00 0.00 O ATOM 0 H GLY A 419 -14.668 -2.500 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.025 -3.657 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.376 -2.091 -0.872 1.00 0.00 H new ATOM 546 N TYR A 420 -13.305 -2.098 -0.748 1.00 0.00 N ATOM 547 CA TYR A 420 -12.039 -2.154 -1.451 1.00 0.00 C ATOM 548 C TYR A 420 -10.971 -2.723 -0.536 1.00 0.00 C ATOM 549 O TYR A 420 -10.835 -2.298 0.612 1.00 0.00 O ATOM 550 CB TYR A 420 -11.625 -0.761 -1.917 1.00 0.00 C ATOM 551 CG TYR A 420 -12.642 -0.068 -2.798 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.814 -0.441 -4.125 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.424 0.970 -2.303 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.734 0.200 -4.933 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.347 1.615 -3.104 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.498 1.226 -4.418 1.00 0.00 C ATOM 557 OH TYR A 420 -15.414 1.870 -5.219 1.00 0.00 O ATOM 0 H TYR A 420 -13.297 -1.515 0.089 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.152 -2.797 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.437 -0.139 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.684 -0.838 -2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.219 -1.245 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.308 1.277 -1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.854 -0.101 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.946 2.419 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.869 2.567 -4.701 1.00 0.00 H new ATOM 567 N ALA A 421 -10.213 -3.677 -1.040 1.00 0.00 N ATOM 568 CA ALA A 421 -9.171 -4.317 -0.252 1.00 0.00 C ATOM 569 C ALA A 421 -8.078 -4.856 -1.156 1.00 0.00 C ATOM 570 O ALA A 421 -8.298 -5.063 -2.348 1.00 0.00 O ATOM 571 CB ALA A 421 -9.759 -5.438 0.591 1.00 0.00 C ATOM 0 H ALA A 421 -10.297 -4.029 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.734 -3.572 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.968 -5.908 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.513 -5.030 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.218 -6.181 -0.061 1.00 0.00 H new ATOM 577 N LEU A 422 -6.902 -5.081 -0.589 1.00 0.00 N ATOM 578 CA LEU A 422 -5.777 -5.612 -1.345 1.00 0.00 C ATOM 579 C LEU A 422 -6.020 -7.059 -1.718 1.00 0.00 C ATOM 580 O LEU A 422 -6.765 -7.772 -1.037 1.00 0.00 O ATOM 581 CB LEU A 422 -4.488 -5.525 -0.531 1.00 0.00 C ATOM 582 CG LEU A 422 -3.971 -4.115 -0.255 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.740 -4.172 0.631 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.650 -3.401 -1.555 1.00 0.00 C ATOM 0 H LEU A 422 -6.702 -4.904 0.395 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.677 -5.013 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.649 -6.026 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.711 -6.081 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.751 -3.556 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.381 -3.160 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.994 -4.650 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.959 -4.747 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.283 -2.398 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.885 -3.958 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.551 -3.334 -2.165 1.00 0.00 H new ATOM 596 N PRO A 423 -5.400 -7.503 -2.815 1.00 0.00 N ATOM 597 CA PRO A 423 -5.415 -8.905 -3.212 1.00 0.00 C ATOM 598 C PRO A 423 -4.875 -9.791 -2.093 1.00 0.00 C ATOM 599 O PRO A 423 -4.054 -9.346 -1.290 1.00 0.00 O ATOM 600 CB PRO A 423 -4.490 -8.942 -4.432 1.00 0.00 C ATOM 601 CG PRO A 423 -4.513 -7.555 -4.959 1.00 0.00 C ATOM 602 CD PRO A 423 -4.637 -6.670 -3.758 1.00 0.00 C ATOM 0 HA PRO A 423 -6.417 -9.275 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.480 -9.245 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.844 -9.655 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.604 -7.333 -5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.350 -7.409 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.662 -6.395 -3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.159 -5.742 -3.992 1.00 0.00 H new ATOM 610 N LYS A 424 -5.357 -11.029 -2.044 1.00 0.00 N ATOM 611 CA LYS A 424 -4.981 -11.992 -0.998 1.00 0.00 C ATOM 612 C LYS A 424 -5.591 -11.590 0.343 1.00 0.00 C ATOM 613 O LYS A 424 -5.113 -12.008 1.400 1.00 0.00 O ATOM 614 CB LYS A 424 -3.457 -12.119 -0.863 1.00 0.00 C ATOM 615 CG LYS A 424 -2.740 -12.477 -2.156 1.00 0.00 C ATOM 616 CD LYS A 424 -1.232 -12.479 -1.964 1.00 0.00 C ATOM 617 CE LYS A 424 -0.493 -12.621 -3.286 1.00 0.00 C ATOM 618 NZ LYS A 424 -0.807 -11.505 -4.219 1.00 0.00 N ATOM 0 H LYS A 424 -6.020 -11.399 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.374 -12.964 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.058 -11.176 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.233 -12.879 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.067 -13.459 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.010 -11.763 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.927 -11.554 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.951 -13.298 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 424 0.581 -12.648 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.760 -13.570 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.081 -11.460 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -1.738 -11.667 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.821 -10.607 -3.694 1.00 0.00 H new ATOM 632 N ALA A 425 -6.650 -10.777 0.280 1.00 0.00 N ATOM 633 CA ALA A 425 -7.347 -10.279 1.469 1.00 0.00 C ATOM 634 C ALA A 425 -6.407 -9.492 2.380 1.00 0.00 C ATOM 635 O ALA A 425 -6.627 -9.398 3.588 1.00 0.00 O ATOM 636 CB ALA A 425 -8.000 -11.427 2.230 1.00 0.00 C ATOM 0 H ALA A 425 -7.048 -10.445 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.129 -9.597 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.512 -11.036 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.720 -11.929 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.235 -12.138 2.542 1.00 0.00 H new ATOM 642 N GLN A 426 -5.372 -8.914 1.790 1.00 0.00 N ATOM 643 CA GLN A 426 -4.365 -8.197 2.554 1.00 0.00 C ATOM 644 C GLN A 426 -4.795 -6.762 2.822 1.00 0.00 C ATOM 645 O GLN A 426 -5.658 -6.215 2.133 1.00 0.00 O ATOM 646 CB GLN A 426 -3.034 -8.194 1.803 1.00 0.00 C ATOM 647 CG GLN A 426 -2.446 -9.576 1.584 1.00 0.00 C ATOM 648 CD GLN A 426 -1.127 -9.533 0.836 1.00 0.00 C ATOM 649 OE1 GLN A 426 -1.089 -9.599 -0.392 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.036 -9.418 1.575 1.00 0.00 N ATOM 0 H GLN A 426 -5.208 -8.928 0.783 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.246 -8.710 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.176 -7.713 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.317 -7.589 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.298 -10.061 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.157 -10.186 1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.111 -9.366 2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.881 -9.381 1.129 1.00 0.00 H new ATOM 659 N THR A 427 -4.211 -6.166 3.851 1.00 0.00 N ATOM 660 CA THR A 427 -4.373 -4.745 4.101 1.00 0.00 C ATOM 661 C THR A 427 -3.004 -4.080 4.222 1.00 0.00 C ATOM 662 O THR A 427 -2.892 -2.855 4.253 1.00 0.00 O ATOM 663 CB THR A 427 -5.195 -4.470 5.379 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.577 -5.099 6.510 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.626 -4.969 5.234 1.00 0.00 C ATOM 0 H THR A 427 -3.619 -6.648 4.527 1.00 0.00 H new ATOM 0 HA THR A 427 -4.920 -4.325 3.257 1.00 0.00 H new ATOM 0 HB THR A 427 -5.222 -3.391 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.054 -4.436 7.008 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.179 -4.761 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.106 -4.461 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.620 -6.043 5.050 1.00 0.00 H new ATOM 673 N THR A 428 -1.963 -4.904 4.281 1.00 0.00 N ATOM 674 CA THR A 428 -0.604 -4.421 4.416 1.00 0.00 C ATOM 675 C THR A 428 0.154 -4.513 3.096 1.00 0.00 C ATOM 676 O THR A 428 0.050 -5.506 2.375 1.00 0.00 O ATOM 677 CB THR A 428 0.149 -5.236 5.478 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.544 -6.470 5.733 1.00 0.00 O ATOM 679 CG2 THR A 428 0.302 -4.448 6.770 1.00 0.00 C ATOM 0 H THR A 428 -2.043 -5.920 4.236 1.00 0.00 H new ATOM 0 HA THR A 428 -0.660 -3.375 4.718 1.00 0.00 H new ATOM 0 HB THR A 428 1.146 -5.454 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.057 -6.985 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.839 -5.051 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.861 -3.533 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.684 -4.195 7.161 1.00 0.00 H new ATOM 687 N VAL A 429 0.913 -3.476 2.786 1.00 0.00 N ATOM 688 CA VAL A 429 1.743 -3.464 1.596 1.00 0.00 C ATOM 689 C VAL A 429 3.203 -3.469 2.005 1.00 0.00 C ATOM 690 O VAL A 429 3.632 -2.664 2.832 1.00 0.00 O ATOM 691 CB VAL A 429 1.477 -2.235 0.698 1.00 0.00 C ATOM 692 CG1 VAL A 429 1.963 -2.492 -0.714 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.003 -1.859 0.696 1.00 0.00 C ATOM 0 H VAL A 429 0.971 -2.626 3.347 1.00 0.00 H new ATOM 0 HA VAL A 429 1.495 -4.354 1.018 1.00 0.00 H new ATOM 0 HB VAL A 429 2.035 -1.394 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.767 -1.615 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.034 -2.693 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.438 -3.353 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.150 -0.991 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.585 -2.696 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.313 -1.620 1.712 1.00 0.00 H new ATOM 703 N THR A 430 3.949 -4.396 1.446 1.00 0.00 N ATOM 704 CA THR A 430 5.354 -4.537 1.755 1.00 0.00 C ATOM 705 C THR A 430 6.209 -3.879 0.677 1.00 0.00 C ATOM 706 O THR A 430 6.065 -4.184 -0.507 1.00 0.00 O ATOM 707 CB THR A 430 5.717 -6.026 1.853 1.00 0.00 C ATOM 708 OG1 THR A 430 4.808 -6.684 2.745 1.00 0.00 O ATOM 709 CG2 THR A 430 7.143 -6.220 2.344 1.00 0.00 C ATOM 0 H THR A 430 3.600 -5.071 0.766 1.00 0.00 H new ATOM 0 HA THR A 430 5.549 -4.047 2.709 1.00 0.00 H new ATOM 0 HB THR A 430 5.641 -6.459 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.039 -7.634 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.366 -7.285 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.835 -5.741 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.252 -5.773 3.332 1.00 0.00 H new ATOM 717 N CYS A 431 7.075 -2.963 1.084 1.00 0.00 N ATOM 718 CA CYS A 431 8.021 -2.356 0.165 1.00 0.00 C ATOM 719 C CYS A 431 9.034 -3.384 -0.251 1.00 0.00 C ATOM 720 O CYS A 431 9.778 -3.879 0.592 1.00 0.00 O ATOM 721 CB CYS A 431 8.775 -1.202 0.822 1.00 0.00 C ATOM 722 SG CYS A 431 10.091 -0.481 -0.223 1.00 0.00 S ATOM 0 H CYS A 431 7.141 -2.625 2.044 1.00 0.00 H new ATOM 0 HA CYS A 431 7.459 -1.979 -0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.063 -0.419 1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.218 -1.555 1.754 1.00 0.00 H new ATOM 727 N MET A 432 9.073 -3.733 -1.520 1.00 0.00 N ATOM 728 CA MET A 432 10.102 -4.634 -1.965 1.00 0.00 C ATOM 729 C MET A 432 10.690 -4.246 -3.281 1.00 0.00 C ATOM 730 O MET A 432 10.006 -3.999 -4.264 1.00 0.00 O ATOM 731 CB MET A 432 9.649 -6.073 -1.979 1.00 0.00 C ATOM 732 CG MET A 432 9.507 -6.614 -0.585 1.00 0.00 C ATOM 733 SD MET A 432 9.701 -8.405 -0.483 1.00 0.00 S ATOM 734 CE MET A 432 11.419 -8.586 -0.954 1.00 0.00 C ATOM 0 H MET A 432 8.423 -3.415 -2.239 1.00 0.00 H new ATOM 0 HA MET A 432 10.896 -4.548 -1.223 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.695 -6.151 -2.501 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.366 -6.677 -2.534 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.249 -6.139 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.526 -6.340 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 432 11.816 -9.509 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.497 -8.620 -2.041 1.00 0.00 H new ATOM 0 HE3 MET A 432 11.991 -7.739 -0.576 1.00 0.00 H new ATOM 744 N GLU A 433 11.993 -4.209 -3.239 1.00 0.00 N ATOM 745 CA GLU A 433 12.841 -3.846 -4.354 1.00 0.00 C ATOM 746 C GLU A 433 12.336 -2.580 -5.052 1.00 0.00 C ATOM 747 O GLU A 433 12.263 -2.528 -6.278 1.00 0.00 O ATOM 748 CB GLU A 433 12.931 -5.019 -5.325 1.00 0.00 C ATOM 749 CG GLU A 433 14.116 -4.955 -6.267 1.00 0.00 C ATOM 750 CD GLU A 433 15.404 -5.411 -5.617 1.00 0.00 C ATOM 751 OE1 GLU A 433 15.817 -4.792 -4.618 1.00 0.00 O ATOM 752 OE2 GLU A 433 15.999 -6.389 -6.103 1.00 0.00 O ATOM 0 H GLU A 433 12.520 -4.439 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 433 13.839 -3.621 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.985 -5.946 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.015 -5.060 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.915 -5.576 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.236 -3.932 -6.624 1.00 0.00 H new ATOM 759 N ASN A 434 11.945 -1.584 -4.241 1.00 0.00 N ATOM 760 CA ASN A 434 11.515 -0.261 -4.735 1.00 0.00 C ATOM 761 C ASN A 434 10.081 -0.326 -5.250 1.00 0.00 C ATOM 762 O ASN A 434 9.443 0.696 -5.498 1.00 0.00 O ATOM 763 CB ASN A 434 12.471 0.248 -5.834 1.00 0.00 C ATOM 764 CG ASN A 434 12.040 1.556 -6.473 1.00 0.00 C ATOM 765 OD1 ASN A 434 11.348 1.566 -7.496 1.00 0.00 O ATOM 766 ND2 ASN A 434 12.451 2.666 -5.885 1.00 0.00 N ATOM 0 H ASN A 434 11.917 -1.671 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 434 11.549 0.445 -3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 434 13.465 0.376 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 434 12.554 -0.513 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 434 12.198 3.574 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 434 13.021 2.615 -5.041 1.00 0.00 H new ATOM 773 N GLY A 435 9.563 -1.534 -5.351 1.00 0.00 N ATOM 774 CA GLY A 435 8.240 -1.727 -5.904 1.00 0.00 C ATOM 775 C GLY A 435 7.373 -2.623 -5.046 1.00 0.00 C ATOM 776 O GLY A 435 7.404 -3.842 -5.217 1.00 0.00 O ATOM 0 H GLY A 435 10.035 -2.390 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.753 -0.758 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.327 -2.159 -6.901 1.00 0.00 H new ATOM 780 N TRP A 436 6.662 -1.998 -4.091 1.00 0.00 N ATOM 781 CA TRP A 436 5.609 -2.630 -3.278 1.00 0.00 C ATOM 782 C TRP A 436 5.181 -3.989 -3.822 1.00 0.00 C ATOM 783 O TRP A 436 4.569 -4.090 -4.887 1.00 0.00 O ATOM 784 CB TRP A 436 4.380 -1.718 -3.221 1.00 0.00 C ATOM 785 CG TRP A 436 4.639 -0.353 -2.654 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.697 0.822 -3.346 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.856 -0.015 -1.277 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.938 1.866 -2.488 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.043 1.379 -1.214 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.911 -0.753 -0.094 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.281 2.045 -0.017 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.148 -0.090 1.094 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.330 1.296 1.125 1.00 0.00 C ATOM 0 H TRP A 436 6.808 -1.016 -3.858 1.00 0.00 H new ATOM 0 HA TRP A 436 6.029 -2.782 -2.284 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.979 -1.608 -4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.610 -2.205 -2.623 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.571 0.917 -4.414 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.025 2.846 -2.757 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.771 -1.824 -0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.422 3.115 0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.194 -0.652 2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.513 1.785 2.071 1.00 0.00 H new ATOM 804 N SER A 437 5.473 -5.018 -3.036 1.00 0.00 N ATOM 805 CA SER A 437 5.317 -6.400 -3.455 1.00 0.00 C ATOM 806 C SER A 437 3.868 -6.751 -3.757 1.00 0.00 C ATOM 807 O SER A 437 3.567 -7.235 -4.846 1.00 0.00 O ATOM 808 CB SER A 437 5.867 -7.325 -2.374 1.00 0.00 C ATOM 809 OG SER A 437 7.258 -7.297 -2.354 1.00 0.00 O ATOM 0 H SER A 437 5.827 -4.914 -2.085 1.00 0.00 H new ATOM 0 HA SER A 437 5.878 -6.532 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.480 -7.023 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.523 -8.344 -2.552 1.00 0.00 H new ATOM 0 HG SER A 437 7.602 -8.205 -2.220 1.00 0.00 H new ATOM 815 N PRO A 438 2.939 -6.524 -2.815 1.00 0.00 N ATOM 816 CA PRO A 438 1.551 -6.906 -3.009 1.00 0.00 C ATOM 817 C PRO A 438 0.764 -5.835 -3.757 1.00 0.00 C ATOM 818 O PRO A 438 -0.383 -6.044 -4.155 1.00 0.00 O ATOM 819 CB PRO A 438 1.089 -7.071 -1.575 1.00 0.00 C ATOM 820 CG PRO A 438 1.778 -5.977 -0.853 1.00 0.00 C ATOM 821 CD PRO A 438 3.141 -5.899 -1.482 1.00 0.00 C ATOM 0 HA PRO A 438 1.411 -7.797 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.006 -6.985 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.363 -8.048 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.240 -5.035 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.846 -6.189 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.485 -4.869 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.886 -6.436 -0.895 1.00 0.00 H new ATOM 829 N THR A 439 1.428 -4.694 -3.941 1.00 0.00 N ATOM 830 CA THR A 439 0.911 -3.571 -4.717 1.00 0.00 C ATOM 831 C THR A 439 -0.238 -2.866 -3.991 1.00 0.00 C ATOM 832 O THR A 439 -1.254 -3.479 -3.670 1.00 0.00 O ATOM 833 CB THR A 439 0.459 -4.033 -6.117 1.00 0.00 C ATOM 834 OG1 THR A 439 1.473 -4.872 -6.691 1.00 0.00 O ATOM 835 CG2 THR A 439 0.210 -2.841 -7.029 1.00 0.00 C ATOM 0 H THR A 439 2.354 -4.523 -3.549 1.00 0.00 H new ATOM 0 HA THR A 439 1.724 -2.854 -4.832 1.00 0.00 H new ATOM 0 HB THR A 439 -0.473 -4.589 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.187 -5.169 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.108 -3.194 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.569 -2.211 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.128 -2.263 -7.131 1.00 0.00 H new ATOM 843 N PRO A 440 -0.087 -1.560 -3.713 1.00 0.00 N ATOM 844 CA PRO A 440 -1.109 -0.778 -3.014 1.00 0.00 C ATOM 845 C PRO A 440 -2.319 -0.486 -3.900 1.00 0.00 C ATOM 846 O PRO A 440 -2.487 0.620 -4.412 1.00 0.00 O ATOM 847 CB PRO A 440 -0.388 0.514 -2.651 1.00 0.00 C ATOM 848 CG PRO A 440 0.694 0.653 -3.666 1.00 0.00 C ATOM 849 CD PRO A 440 1.093 -0.744 -4.058 1.00 0.00 C ATOM 0 HA PRO A 440 -1.509 -1.310 -2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.067 1.366 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 440 0.022 0.467 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.344 1.214 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.544 1.198 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.327 -0.809 -5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.979 -1.074 -3.516 1.00 0.00 H new ATOM 857 N ARG A 441 -3.157 -1.492 -4.070 1.00 0.00 N ATOM 858 CA ARG A 441 -4.343 -1.384 -4.903 1.00 0.00 C ATOM 859 C ARG A 441 -5.531 -2.084 -4.244 1.00 0.00 C ATOM 860 O ARG A 441 -5.695 -3.300 -4.351 1.00 0.00 O ATOM 861 CB ARG A 441 -4.078 -1.971 -6.300 1.00 0.00 C ATOM 862 CG ARG A 441 -3.474 -3.368 -6.284 1.00 0.00 C ATOM 863 CD ARG A 441 -3.315 -3.925 -7.689 1.00 0.00 C ATOM 864 NE ARG A 441 -2.654 -5.232 -7.689 1.00 0.00 N ATOM 865 CZ ARG A 441 -2.449 -5.960 -8.787 1.00 0.00 C ATOM 866 NH1 ARG A 441 -2.901 -5.542 -9.964 1.00 0.00 N ATOM 867 NH2 ARG A 441 -1.811 -7.121 -8.708 1.00 0.00 N ATOM 0 H ARG A 441 -3.036 -2.407 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.587 -0.327 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.016 -1.999 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.408 -1.303 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.502 -3.339 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.109 -4.033 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.295 -4.015 -8.157 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.736 -3.226 -8.293 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.332 -5.607 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.408 -4.660 -10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -2.741 -6.103 -10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.476 -7.459 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -1.656 -7.676 -9.550 1.00 0.00 H new ATOM 881 N CYS A 442 -6.347 -1.316 -3.542 1.00 0.00 N ATOM 882 CA CYS A 442 -7.551 -1.855 -2.928 1.00 0.00 C ATOM 883 C CYS A 442 -8.633 -2.066 -3.980 1.00 0.00 C ATOM 884 O CYS A 442 -9.399 -1.159 -4.302 1.00 0.00 O ATOM 885 CB CYS A 442 -8.038 -0.945 -1.799 1.00 0.00 C ATOM 886 SG CYS A 442 -7.976 0.836 -2.173 1.00 0.00 S ATOM 0 H CYS A 442 -6.199 -0.319 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.315 -2.825 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -9.065 -1.214 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.435 -1.137 -0.911 1.00 0.00 H new ATOM 891 N ILE A 443 -8.662 -3.274 -4.528 1.00 0.00 N ATOM 892 CA ILE A 443 -9.625 -3.644 -5.542 1.00 0.00 C ATOM 893 C ILE A 443 -11.001 -3.824 -4.936 1.00 0.00 C ATOM 894 O ILE A 443 -11.144 -4.022 -3.727 1.00 0.00 O ATOM 895 CB ILE A 443 -9.220 -4.942 -6.267 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.740 -6.007 -5.285 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.152 -4.659 -7.290 1.00 0.00 C ATOM 898 CD1 ILE A 443 -8.451 -7.350 -5.921 1.00 0.00 C ATOM 0 H ILE A 443 -8.015 -4.022 -4.278 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.648 -2.832 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.105 -5.329 -6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.837 -5.649 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.496 -6.139 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.876 -5.585 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.530 -3.946 -8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.276 -4.241 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.115 -8.050 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.357 -7.733 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.672 -7.235 -6.675 1.00 0.00 H new ATOM 910 N ARG A 444 -12.005 -3.761 -5.788 1.00 0.00 N ATOM 911 CA ARG A 444 -13.379 -3.823 -5.347 1.00 0.00 C ATOM 912 C ARG A 444 -13.813 -5.256 -5.110 1.00 0.00 C ATOM 913 O ARG A 444 -13.894 -6.067 -6.033 1.00 0.00 O ATOM 914 CB ARG A 444 -14.287 -3.145 -6.371 1.00 0.00 C ATOM 915 CG ARG A 444 -15.758 -3.218 -6.029 1.00 0.00 C ATOM 916 CD ARG A 444 -16.591 -2.553 -7.103 1.00 0.00 C ATOM 917 NE ARG A 444 -18.018 -2.560 -6.791 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.888 -1.701 -7.321 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.467 -0.745 -8.142 1.00 0.00 N ATOM 920 NH2 ARG A 444 -20.176 -1.786 -7.019 1.00 0.00 N ATOM 0 H ARG A 444 -11.890 -3.666 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.461 -3.292 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.997 -2.098 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.127 -3.606 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.060 -4.260 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.938 -2.733 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.256 -1.524 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.428 -3.063 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.366 -3.258 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.475 -0.667 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.135 -0.089 -8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.503 -2.510 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -20.840 -1.127 -7.426 1.00 0.00 H new ATOM 934 N VAL A 445 -14.086 -5.546 -3.856 1.00 0.00 N ATOM 935 CA VAL A 445 -14.495 -6.871 -3.439 1.00 0.00 C ATOM 936 C VAL A 445 -15.987 -6.878 -3.111 1.00 0.00 C ATOM 937 O VAL A 445 -16.583 -7.923 -2.853 1.00 0.00 O ATOM 938 CB VAL A 445 -13.665 -7.312 -2.215 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.121 -6.603 -0.946 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.696 -8.825 -2.045 1.00 0.00 C ATOM 0 H VAL A 445 -14.031 -4.869 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.319 -7.576 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.631 -7.020 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.515 -6.938 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.007 -5.526 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.168 -6.837 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.103 -9.106 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.725 -9.154 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.282 -9.300 -2.935 1.00 0.00 H new