USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=12 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 411 SER OG : rot 150:sc= -0.453 USER MOD Set 1.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 398 TYR OH : rot 15:sc= -0.091 USER MOD Set 2.2: A 417 HIS : no HD1:sc= -1.26 K(o=-1.4,f=0.22) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot -99:sc= 0.0957 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 399 ASN : amide:sc= -0.141 X(o=-0.14,f=0.04) USER MOD Single : A 400 GLN : amide:sc= -2.05 K(o=-2.1,f=-5.7!) USER MOD Single : A 401 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -5.91! C(o=-5.9!,f=-4!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ -144:sc= -1.87! (180deg=-3.83!) USER MOD Single : A 426 GLN : amide:sc= 0 K(o=0,f=0.52) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.00893 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A 437 SER OG : rot 180:sc= -4.41! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.655 -0.896 -2.293 1.00 0.00 N ATOM 21 CA ARG A 387 14.934 0.223 -2.865 1.00 0.00 C ATOM 22 C ARG A 387 14.101 0.930 -1.822 1.00 0.00 C ATOM 23 O ARG A 387 13.853 0.405 -0.735 1.00 0.00 O ATOM 24 CB ARG A 387 14.041 -0.213 -4.025 1.00 0.00 C ATOM 25 CG ARG A 387 14.789 -1.006 -5.067 1.00 0.00 C ATOM 26 CD ARG A 387 14.052 -1.093 -6.385 1.00 0.00 C ATOM 27 NE ARG A 387 14.450 -2.281 -7.138 1.00 0.00 N ATOM 28 CZ ARG A 387 14.665 -2.297 -8.451 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.564 -1.180 -9.160 1.00 0.00 N ATOM 30 NH2 ARG A 387 14.978 -3.439 -9.051 1.00 0.00 N ATOM 0 HA ARG A 387 15.684 0.915 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.217 -0.814 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.601 0.669 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.765 -0.549 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.968 -2.013 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 387 12.978 -1.118 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.254 -0.200 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 387 14.571 -3.154 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.321 -0.303 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 387 14.730 -1.198 -10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.053 -4.298 -8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 387 15.144 -3.458 -10.057 1.00 0.00 H new ATOM 44 N LYS A 388 13.674 2.121 -2.174 1.00 0.00 N ATOM 45 CA LYS A 388 12.864 2.943 -1.294 1.00 0.00 C ATOM 46 C LYS A 388 11.514 3.219 -1.939 1.00 0.00 C ATOM 47 O LYS A 388 11.358 4.190 -2.678 1.00 0.00 O ATOM 48 CB LYS A 388 13.570 4.263 -0.964 1.00 0.00 C ATOM 49 CG LYS A 388 14.648 4.156 0.111 1.00 0.00 C ATOM 50 CD LYS A 388 15.885 3.407 -0.371 1.00 0.00 C ATOM 51 CE LYS A 388 16.572 4.136 -1.516 1.00 0.00 C ATOM 52 NZ LYS A 388 17.819 3.454 -1.948 1.00 0.00 N ATOM 0 H LYS A 388 13.876 2.550 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 388 12.714 2.398 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.022 4.656 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.823 4.988 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.936 5.157 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.237 3.648 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.584 3.288 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.601 2.406 -0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 388 15.888 4.208 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.805 5.155 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.253 3.986 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 18.484 3.408 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.595 2.490 -2.268 1.00 0.00 H new ATOM 66 N CYS A 389 10.559 2.345 -1.658 1.00 0.00 N ATOM 67 CA CYS A 389 9.223 2.428 -2.228 1.00 0.00 C ATOM 68 C CYS A 389 8.563 3.768 -1.932 1.00 0.00 C ATOM 69 O CYS A 389 8.420 4.163 -0.771 1.00 0.00 O ATOM 70 CB CYS A 389 8.347 1.308 -1.675 1.00 0.00 C ATOM 71 SG CYS A 389 9.101 -0.344 -1.778 1.00 0.00 S ATOM 0 H CYS A 389 10.690 1.555 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 389 9.325 2.327 -3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.114 1.525 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.402 1.299 -2.218 1.00 0.00 H new ATOM 76 N TYR A 390 8.171 4.460 -2.989 1.00 0.00 N ATOM 77 CA TYR A 390 7.436 5.707 -2.862 1.00 0.00 C ATOM 78 C TYR A 390 5.941 5.408 -2.870 1.00 0.00 C ATOM 79 O TYR A 390 5.400 4.931 -3.868 1.00 0.00 O ATOM 80 CB TYR A 390 7.809 6.654 -4.005 1.00 0.00 C ATOM 81 CG TYR A 390 7.321 8.075 -3.824 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.845 8.887 -2.826 1.00 0.00 C ATOM 83 CD2 TYR A 390 6.352 8.609 -4.663 1.00 0.00 C ATOM 84 CE1 TYR A 390 7.413 10.189 -2.665 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.918 9.912 -4.512 1.00 0.00 C ATOM 86 CZ TYR A 390 6.452 10.699 -3.513 1.00 0.00 C ATOM 87 OH TYR A 390 6.029 12.002 -3.362 1.00 0.00 O ATOM 0 H TYR A 390 8.352 4.176 -3.952 1.00 0.00 H new ATOM 0 HA TYR A 390 7.695 6.195 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.894 6.666 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.402 6.259 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.603 8.494 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.931 7.996 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.825 10.805 -1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 390 5.164 10.313 -5.173 1.00 0.00 H new ATOM 0 HH TYR A 390 5.350 12.206 -4.039 1.00 0.00 H new ATOM 97 N PHE A 391 5.289 5.653 -1.744 1.00 0.00 N ATOM 98 CA PHE A 391 3.876 5.328 -1.592 1.00 0.00 C ATOM 99 C PHE A 391 3.000 6.350 -2.317 1.00 0.00 C ATOM 100 O PHE A 391 3.016 7.537 -1.982 1.00 0.00 O ATOM 101 CB PHE A 391 3.506 5.276 -0.112 1.00 0.00 C ATOM 102 CG PHE A 391 2.221 4.550 0.157 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.211 3.175 0.315 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.028 5.239 0.252 1.00 0.00 C ATOM 105 CE1 PHE A 391 1.034 2.502 0.568 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.151 4.574 0.505 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.149 3.203 0.663 1.00 0.00 C ATOM 0 H PHE A 391 5.715 6.077 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 391 3.700 4.349 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.311 4.790 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.427 6.293 0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.136 2.622 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 391 1.020 6.312 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.039 1.429 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.077 5.125 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.073 2.680 0.861 1.00 0.00 H new ATOM 117 N PRO A 392 2.233 5.896 -3.318 1.00 0.00 N ATOM 118 CA PRO A 392 1.381 6.755 -4.128 1.00 0.00 C ATOM 119 C PRO A 392 -0.065 6.823 -3.631 1.00 0.00 C ATOM 120 O PRO A 392 -0.413 6.262 -2.590 1.00 0.00 O ATOM 121 CB PRO A 392 1.447 6.057 -5.484 1.00 0.00 C ATOM 122 CG PRO A 392 1.566 4.598 -5.159 1.00 0.00 C ATOM 123 CD PRO A 392 2.150 4.497 -3.766 1.00 0.00 C ATOM 0 HA PRO A 392 1.709 7.794 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.555 6.259 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.301 6.403 -6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.591 4.113 -5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 392 2.206 4.093 -5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.515 3.903 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.131 4.022 -3.777 1.00 0.00 H new ATOM 131 N TYR A 393 -0.895 7.527 -4.389 1.00 0.00 N ATOM 132 CA TYR A 393 -2.319 7.640 -4.101 1.00 0.00 C ATOM 133 C TYR A 393 -3.030 6.344 -4.486 1.00 0.00 C ATOM 134 O TYR A 393 -2.855 5.841 -5.596 1.00 0.00 O ATOM 135 CB TYR A 393 -2.901 8.837 -4.865 1.00 0.00 C ATOM 136 CG TYR A 393 -4.396 9.022 -4.721 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.982 9.241 -3.480 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.219 8.992 -5.838 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.345 9.420 -3.360 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.583 9.172 -5.724 1.00 0.00 C ATOM 141 CZ TYR A 393 -7.140 9.384 -4.485 1.00 0.00 C ATOM 142 OH TYR A 393 -8.498 9.562 -4.370 1.00 0.00 O ATOM 0 H TYR A 393 -0.600 8.036 -5.222 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.468 7.804 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.403 9.744 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.664 8.723 -5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.362 9.272 -2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.785 8.825 -6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.787 9.588 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.209 9.146 -6.604 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.945 8.690 -4.386 1.00 0.00 H new ATOM 152 N LEU A 394 -3.841 5.820 -3.573 1.00 0.00 N ATOM 153 CA LEU A 394 -4.437 4.495 -3.745 1.00 0.00 C ATOM 154 C LEU A 394 -5.661 4.530 -4.644 1.00 0.00 C ATOM 155 O LEU A 394 -6.217 3.478 -4.969 1.00 0.00 O ATOM 156 CB LEU A 394 -4.847 3.883 -2.396 1.00 0.00 C ATOM 157 CG LEU A 394 -3.722 3.618 -1.393 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.535 2.957 -2.078 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.311 4.898 -0.683 1.00 0.00 C ATOM 0 H LEU A 394 -4.102 6.290 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 394 -3.667 3.881 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.572 4.548 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.358 2.940 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.096 2.929 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.747 2.778 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.848 2.008 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.158 3.611 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.510 4.681 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.961 5.624 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -4.167 5.308 -0.147 1.00 0.00 H new ATOM 171 N GLU A 395 -6.073 5.732 -5.042 1.00 0.00 N ATOM 172 CA GLU A 395 -7.315 5.932 -5.794 1.00 0.00 C ATOM 173 C GLU A 395 -8.532 5.594 -4.939 1.00 0.00 C ATOM 174 O GLU A 395 -9.252 6.482 -4.488 1.00 0.00 O ATOM 175 CB GLU A 395 -7.323 5.101 -7.083 1.00 0.00 C ATOM 176 CG GLU A 395 -6.443 5.667 -8.182 1.00 0.00 C ATOM 177 CD GLU A 395 -7.006 6.945 -8.761 1.00 0.00 C ATOM 178 OE1 GLU A 395 -8.213 6.972 -9.078 1.00 0.00 O ATOM 179 OE2 GLU A 395 -6.252 7.925 -8.916 1.00 0.00 O ATOM 0 H GLU A 395 -5.559 6.593 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.367 6.986 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -6.994 4.088 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.346 5.028 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -5.446 5.858 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.334 4.927 -8.975 1.00 0.00 H new ATOM 186 N ASN A 396 -8.729 4.311 -4.684 1.00 0.00 N ATOM 187 CA ASN A 396 -9.897 3.845 -3.956 1.00 0.00 C ATOM 188 C ASN A 396 -9.561 3.604 -2.487 1.00 0.00 C ATOM 189 O ASN A 396 -10.232 2.831 -1.801 1.00 0.00 O ATOM 190 CB ASN A 396 -10.449 2.562 -4.589 1.00 0.00 C ATOM 191 CG ASN A 396 -10.718 2.715 -6.077 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.775 3.194 -6.487 1.00 0.00 O ATOM 193 ND2 ASN A 396 -9.767 2.291 -6.898 1.00 0.00 N ATOM 0 H ASN A 396 -8.091 3.570 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.661 4.620 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.739 1.750 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.372 2.280 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -9.898 2.356 -7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -8.904 1.900 -6.520 1.00 0.00 H new ATOM 200 N GLY A 397 -8.526 4.279 -2.007 1.00 0.00 N ATOM 201 CA GLY A 397 -8.106 4.116 -0.630 1.00 0.00 C ATOM 202 C GLY A 397 -7.681 5.422 0.003 1.00 0.00 C ATOM 203 O GLY A 397 -7.524 6.428 -0.690 1.00 0.00 O ATOM 0 H GLY A 397 -7.968 4.939 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.924 3.685 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.278 3.408 -0.587 1.00 0.00 H new ATOM 207 N TYR A 398 -7.494 5.403 1.316 1.00 0.00 N ATOM 208 CA TYR A 398 -7.110 6.589 2.061 1.00 0.00 C ATOM 209 C TYR A 398 -5.605 6.792 1.980 1.00 0.00 C ATOM 210 O TYR A 398 -4.834 5.839 2.087 1.00 0.00 O ATOM 211 CB TYR A 398 -7.543 6.454 3.519 1.00 0.00 C ATOM 212 CG TYR A 398 -9.024 6.205 3.693 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.950 7.206 3.439 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.495 4.963 4.094 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.303 6.976 3.584 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.847 4.724 4.234 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.746 5.734 3.980 1.00 0.00 C ATOM 218 OH TYR A 398 -13.093 5.499 4.100 1.00 0.00 O ATOM 0 H TYR A 398 -7.604 4.567 1.890 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.606 7.456 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.990 5.635 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.271 7.363 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.607 8.180 3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.792 4.170 4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.012 7.767 3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.197 3.750 4.541 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.591 6.213 3.650 1.00 0.00 H new ATOM 228 N ASN A 399 -5.187 8.033 1.811 1.00 0.00 N ATOM 229 CA ASN A 399 -3.783 8.337 1.573 1.00 0.00 C ATOM 230 C ASN A 399 -3.109 8.944 2.801 1.00 0.00 C ATOM 231 O ASN A 399 -2.570 10.047 2.747 1.00 0.00 O ATOM 232 CB ASN A 399 -3.629 9.265 0.358 1.00 0.00 C ATOM 233 CG ASN A 399 -4.562 10.464 0.385 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.239 11.511 0.940 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.720 10.322 -0.234 1.00 0.00 N ATOM 0 H ASN A 399 -5.798 8.849 1.834 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.280 7.393 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.599 9.618 0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.813 8.693 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.382 11.098 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.953 9.437 -0.684 1.00 0.00 H new ATOM 242 N GLN A 400 -3.113 8.207 3.906 1.00 0.00 N ATOM 243 CA GLN A 400 -2.426 8.654 5.111 1.00 0.00 C ATOM 244 C GLN A 400 -0.926 8.407 5.000 1.00 0.00 C ATOM 245 O GLN A 400 -0.142 8.948 5.775 1.00 0.00 O ATOM 246 CB GLN A 400 -2.972 7.955 6.360 1.00 0.00 C ATOM 247 CG GLN A 400 -4.305 8.503 6.852 1.00 0.00 C ATOM 248 CD GLN A 400 -5.478 8.043 6.015 1.00 0.00 C ATOM 249 OE1 GLN A 400 -5.851 8.684 5.034 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.066 6.924 6.403 1.00 0.00 N ATOM 0 H GLN A 400 -3.580 7.305 3.992 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.607 9.724 5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.086 6.892 6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.238 8.043 7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.460 8.193 7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.268 9.592 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.722 6.425 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.863 6.560 5.882 1.00 0.00 H new ATOM 259 N ASN A 401 -0.526 7.594 4.031 1.00 0.00 N ATOM 260 CA ASN A 401 0.887 7.287 3.840 1.00 0.00 C ATOM 261 C ASN A 401 1.370 7.765 2.478 1.00 0.00 C ATOM 262 O ASN A 401 2.485 7.451 2.060 1.00 0.00 O ATOM 263 CB ASN A 401 1.156 5.786 3.995 1.00 0.00 C ATOM 264 CG ASN A 401 1.004 5.308 5.427 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.944 5.383 6.218 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.173 4.801 5.770 1.00 0.00 N ATOM 0 H ASN A 401 -1.154 7.138 3.369 1.00 0.00 H new ATOM 0 HA ASN A 401 1.442 7.818 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.470 5.230 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.165 5.564 3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.323 4.456 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.928 4.756 5.086 1.00 0.00 H new ATOM 273 N TYR A 402 0.535 8.531 1.791 1.00 0.00 N ATOM 274 CA TYR A 402 0.875 9.041 0.470 1.00 0.00 C ATOM 275 C TYR A 402 2.057 9.998 0.542 1.00 0.00 C ATOM 276 O TYR A 402 2.065 10.937 1.337 1.00 0.00 O ATOM 277 CB TYR A 402 -0.339 9.732 -0.153 1.00 0.00 C ATOM 278 CG TYR A 402 -0.008 10.665 -1.298 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.207 10.184 -2.584 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.091 12.032 -1.085 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.512 11.045 -3.623 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.395 12.894 -2.114 1.00 0.00 C ATOM 283 CZ TYR A 402 0.603 12.399 -3.380 1.00 0.00 C ATOM 284 OH TYR A 402 0.914 13.266 -4.404 1.00 0.00 O ATOM 0 H TYR A 402 -0.385 8.814 2.127 1.00 0.00 H new ATOM 0 HA TYR A 402 1.164 8.200 -0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.032 8.970 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.858 10.297 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.135 9.123 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.073 12.427 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 402 0.678 10.659 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.470 13.955 -1.928 1.00 0.00 H new ATOM 0 HH TYR A 402 0.936 14.184 -4.060 1.00 0.00 H new ATOM 294 N GLY A 403 3.061 9.737 -0.280 1.00 0.00 N ATOM 295 CA GLY A 403 4.203 10.620 -0.360 1.00 0.00 C ATOM 296 C GLY A 403 5.307 10.209 0.586 1.00 0.00 C ATOM 297 O GLY A 403 6.211 10.993 0.881 1.00 0.00 O ATOM 0 H GLY A 403 3.104 8.925 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.585 10.626 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.890 11.638 -0.130 1.00 0.00 H new ATOM 301 N ARG A 404 5.234 8.980 1.072 1.00 0.00 N ATOM 302 CA ARG A 404 6.241 8.461 1.980 1.00 0.00 C ATOM 303 C ARG A 404 7.146 7.469 1.275 1.00 0.00 C ATOM 304 O ARG A 404 6.726 6.783 0.343 1.00 0.00 O ATOM 305 CB ARG A 404 5.587 7.782 3.175 1.00 0.00 C ATOM 306 CG ARG A 404 4.816 8.727 4.072 1.00 0.00 C ATOM 307 CD ARG A 404 4.235 7.995 5.266 1.00 0.00 C ATOM 308 NE ARG A 404 5.273 7.493 6.164 1.00 0.00 N ATOM 309 CZ ARG A 404 5.066 7.194 7.444 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.865 7.343 7.987 1.00 0.00 N ATOM 311 NH2 ARG A 404 6.066 6.742 8.185 1.00 0.00 N ATOM 0 H ARG A 404 4.486 8.323 0.851 1.00 0.00 H new ATOM 0 HA ARG A 404 6.839 9.304 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.911 7.006 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.357 7.285 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.474 9.525 4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.013 9.198 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.575 8.666 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 404 3.624 7.162 4.918 1.00 0.00 H new ATOM 0 HE ARG A 404 6.212 7.364 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.089 7.690 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.717 7.111 8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 404 6.992 6.624 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 404 5.910 6.512 9.166 1.00 0.00 H new ATOM 325 N LYS A 405 8.388 7.410 1.721 1.00 0.00 N ATOM 326 CA LYS A 405 9.341 6.444 1.221 1.00 0.00 C ATOM 327 C LYS A 405 9.691 5.432 2.301 1.00 0.00 C ATOM 328 O LYS A 405 10.070 5.800 3.413 1.00 0.00 O ATOM 329 CB LYS A 405 10.600 7.152 0.737 1.00 0.00 C ATOM 330 CG LYS A 405 10.399 7.909 -0.563 1.00 0.00 C ATOM 331 CD LYS A 405 11.636 8.706 -0.952 1.00 0.00 C ATOM 332 CE LYS A 405 12.847 7.805 -1.145 1.00 0.00 C ATOM 333 NZ LYS A 405 14.043 8.569 -1.583 1.00 0.00 N ATOM 0 H LYS A 405 8.761 8.031 2.439 1.00 0.00 H new ATOM 0 HA LYS A 405 8.889 5.913 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.936 7.847 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.393 6.417 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.155 7.205 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.549 8.584 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.440 9.255 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.851 9.445 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 405 13.068 7.289 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.615 7.039 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 14.846 7.919 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.841 9.041 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 14.281 9.283 -0.865 1.00 0.00 H new ATOM 347 N PHE A 406 9.546 4.167 1.971 1.00 0.00 N ATOM 348 CA PHE A 406 9.854 3.090 2.899 1.00 0.00 C ATOM 349 C PHE A 406 10.964 2.227 2.327 1.00 0.00 C ATOM 350 O PHE A 406 11.113 2.122 1.112 1.00 0.00 O ATOM 351 CB PHE A 406 8.617 2.228 3.185 1.00 0.00 C ATOM 352 CG PHE A 406 7.533 2.941 3.950 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.651 3.797 3.305 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.398 2.752 5.315 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.657 4.447 4.011 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.405 3.399 6.023 1.00 0.00 C ATOM 357 CZ PHE A 406 5.535 4.249 5.370 1.00 0.00 C ATOM 0 H PHE A 406 9.214 3.853 1.059 1.00 0.00 H new ATOM 0 HA PHE A 406 10.180 3.533 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.207 1.875 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.924 1.346 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.743 3.957 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.078 2.091 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.976 5.110 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.309 3.240 7.087 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.760 4.758 5.923 1.00 0.00 H new ATOM 367 N VAL A 407 11.745 1.628 3.206 1.00 0.00 N ATOM 368 CA VAL A 407 12.857 0.788 2.792 1.00 0.00 C ATOM 369 C VAL A 407 12.372 -0.620 2.467 1.00 0.00 C ATOM 370 O VAL A 407 11.402 -1.107 3.053 1.00 0.00 O ATOM 371 CB VAL A 407 13.948 0.735 3.882 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.514 2.127 4.114 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.402 0.154 5.181 1.00 0.00 C ATOM 0 H VAL A 407 11.630 1.707 4.216 1.00 0.00 H new ATOM 0 HA VAL A 407 13.291 1.227 1.894 1.00 0.00 H new ATOM 0 HB VAL A 407 14.747 0.079 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.284 2.083 4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 407 14.949 2.502 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.716 2.795 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.194 0.129 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.582 0.775 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.040 -0.858 5.003 1.00 0.00 H new ATOM 383 N GLN A 408 13.034 -1.254 1.509 1.00 0.00 N ATOM 384 CA GLN A 408 12.643 -2.577 1.053 1.00 0.00 C ATOM 385 C GLN A 408 12.799 -3.592 2.176 1.00 0.00 C ATOM 386 O GLN A 408 13.861 -3.685 2.794 1.00 0.00 O ATOM 387 CB GLN A 408 13.493 -2.995 -0.145 1.00 0.00 C ATOM 388 CG GLN A 408 12.711 -3.705 -1.231 1.00 0.00 C ATOM 389 CD GLN A 408 13.597 -4.369 -2.254 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.019 -5.512 -2.097 1.00 0.00 O ATOM 391 NE2 GLN A 408 13.855 -3.654 -3.326 1.00 0.00 N ATOM 0 H GLN A 408 13.849 -0.869 1.031 1.00 0.00 H new ATOM 0 HA GLN A 408 11.596 -2.543 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.965 -2.110 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.294 -3.649 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.065 -4.456 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.061 -2.987 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.482 -2.709 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.429 -4.044 -4.074 1.00 0.00 H new ATOM 400 N GLY A 409 11.743 -4.347 2.429 1.00 0.00 N ATOM 401 CA GLY A 409 11.744 -5.290 3.530 1.00 0.00 C ATOM 402 C GLY A 409 10.905 -4.781 4.677 1.00 0.00 C ATOM 403 O GLY A 409 10.881 -5.361 5.763 1.00 0.00 O ATOM 0 H GLY A 409 10.878 -4.324 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.358 -6.251 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.766 -5.458 3.869 1.00 0.00 H new ATOM 407 N LYS A 410 10.211 -3.687 4.419 1.00 0.00 N ATOM 408 CA LYS A 410 9.355 -3.058 5.414 1.00 0.00 C ATOM 409 C LYS A 410 7.917 -3.149 4.955 1.00 0.00 C ATOM 410 O LYS A 410 7.666 -3.393 3.789 1.00 0.00 O ATOM 411 CB LYS A 410 9.748 -1.592 5.606 1.00 0.00 C ATOM 412 CG LYS A 410 10.266 -1.272 6.999 1.00 0.00 C ATOM 413 CD LYS A 410 9.185 -1.441 8.053 1.00 0.00 C ATOM 414 CE LYS A 410 9.688 -1.066 9.436 1.00 0.00 C ATOM 415 NZ LYS A 410 8.595 -1.077 10.445 1.00 0.00 N ATOM 0 H LYS A 410 10.223 -3.209 3.518 1.00 0.00 H new ATOM 0 HA LYS A 410 9.472 -3.573 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.514 -1.332 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.882 -0.963 5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.108 -1.924 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.640 -0.248 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.326 -0.820 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.840 -2.475 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.469 -1.763 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.140 -0.075 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 8.979 -0.816 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 7.861 -0.394 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 8.180 -2.029 10.497 1.00 0.00 H new ATOM 429 N SER A 411 6.978 -2.946 5.849 1.00 0.00 N ATOM 430 CA SER A 411 5.580 -3.058 5.486 1.00 0.00 C ATOM 431 C SER A 411 4.774 -1.948 6.138 1.00 0.00 C ATOM 432 O SER A 411 5.248 -1.275 7.059 1.00 0.00 O ATOM 433 CB SER A 411 5.041 -4.438 5.876 1.00 0.00 C ATOM 434 OG SER A 411 3.735 -4.660 5.364 1.00 0.00 O ATOM 0 H SER A 411 7.151 -2.705 6.825 1.00 0.00 H new ATOM 0 HA SER A 411 5.485 -2.951 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.714 -5.210 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.025 -4.528 6.962 1.00 0.00 H new ATOM 0 HG SER A 411 3.608 -5.617 5.195 1.00 0.00 H new ATOM 440 N ILE A 412 3.568 -1.762 5.642 1.00 0.00 N ATOM 441 CA ILE A 412 2.686 -0.710 6.122 1.00 0.00 C ATOM 442 C ILE A 412 1.236 -1.078 5.837 1.00 0.00 C ATOM 443 O ILE A 412 0.921 -1.680 4.807 1.00 0.00 O ATOM 444 CB ILE A 412 3.031 0.658 5.473 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.212 1.787 6.106 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.803 0.621 3.969 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.549 2.041 7.558 1.00 0.00 C ATOM 0 H ILE A 412 3.169 -2.333 4.896 1.00 0.00 H new ATOM 0 HA ILE A 412 2.828 -0.613 7.198 1.00 0.00 H new ATOM 0 HB ILE A 412 4.087 0.854 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.374 2.704 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.152 1.545 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.052 1.591 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.436 -0.146 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.757 0.392 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.930 2.853 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.360 1.138 8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.600 2.315 7.645 1.00 0.00 H new ATOM 459 N ASP A 413 0.369 -0.742 6.773 1.00 0.00 N ATOM 460 CA ASP A 413 -1.044 -1.042 6.658 1.00 0.00 C ATOM 461 C ASP A 413 -1.754 0.032 5.849 1.00 0.00 C ATOM 462 O ASP A 413 -1.550 1.228 6.066 1.00 0.00 O ATOM 463 CB ASP A 413 -1.654 -1.171 8.048 1.00 0.00 C ATOM 464 CG ASP A 413 -3.166 -1.281 8.023 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.684 -2.332 7.599 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.842 -0.323 8.452 1.00 0.00 O ATOM 0 H ASP A 413 0.624 -0.255 7.632 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.167 -1.989 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.239 -2.050 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.368 -0.306 8.646 1.00 0.00 H new ATOM 471 N VAL A 414 -2.572 -0.407 4.913 1.00 0.00 N ATOM 472 CA VAL A 414 -3.260 0.496 4.004 1.00 0.00 C ATOM 473 C VAL A 414 -4.766 0.385 4.178 1.00 0.00 C ATOM 474 O VAL A 414 -5.328 -0.712 4.156 1.00 0.00 O ATOM 475 CB VAL A 414 -2.890 0.206 2.533 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.625 1.147 1.589 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.388 0.313 2.330 1.00 0.00 C ATOM 0 H VAL A 414 -2.780 -1.394 4.759 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.941 1.509 4.249 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.199 -0.813 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.346 0.921 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.700 1.017 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.356 2.178 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.146 0.105 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.057 1.320 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.882 -0.409 2.971 1.00 0.00 H new ATOM 487 N ALA A 415 -5.413 1.522 4.365 1.00 0.00 N ATOM 488 CA ALA A 415 -6.856 1.560 4.511 1.00 0.00 C ATOM 489 C ALA A 415 -7.516 2.024 3.220 1.00 0.00 C ATOM 490 O ALA A 415 -7.336 3.164 2.797 1.00 0.00 O ATOM 491 CB ALA A 415 -7.248 2.475 5.661 1.00 0.00 C ATOM 0 H ALA A 415 -4.959 2.434 4.419 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.204 0.551 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.334 2.493 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.807 2.105 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.885 3.484 5.464 1.00 0.00 H new ATOM 497 N CYS A 416 -8.262 1.140 2.582 1.00 0.00 N ATOM 498 CA CYS A 416 -9.010 1.504 1.394 1.00 0.00 C ATOM 499 C CYS A 416 -10.439 1.855 1.786 1.00 0.00 C ATOM 500 O CYS A 416 -10.828 1.648 2.938 1.00 0.00 O ATOM 501 CB CYS A 416 -8.986 0.357 0.384 1.00 0.00 C ATOM 502 SG CYS A 416 -7.307 -0.224 -0.029 1.00 0.00 S ATOM 0 H CYS A 416 -8.365 0.166 2.867 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.551 2.374 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.562 -0.478 0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.484 0.680 -0.530 1.00 0.00 H new ATOM 507 N HIS A 417 -11.220 2.401 0.855 1.00 0.00 N ATOM 508 CA HIS A 417 -12.610 2.739 1.153 1.00 0.00 C ATOM 509 C HIS A 417 -13.405 1.473 1.435 1.00 0.00 C ATOM 510 O HIS A 417 -13.039 0.388 0.987 1.00 0.00 O ATOM 511 CB HIS A 417 -13.269 3.519 0.007 1.00 0.00 C ATOM 512 CG HIS A 417 -12.742 4.910 -0.178 1.00 0.00 C ATOM 513 ND1 HIS A 417 -12.358 5.423 -1.398 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.562 5.908 0.714 1.00 0.00 C ATOM 515 CE1 HIS A 417 -11.963 6.673 -1.244 1.00 0.00 C ATOM 516 NE2 HIS A 417 -12.078 6.994 0.030 1.00 0.00 N ATOM 0 H HIS A 417 -10.921 2.616 -0.096 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.609 3.379 2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.130 2.964 -0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.342 3.571 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -12.763 5.860 1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.606 7.323 -2.029 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.846 7.899 0.439 1.00 0.00 H new ATOM 525 N PRO A 418 -14.493 1.609 2.199 1.00 0.00 N ATOM 526 CA PRO A 418 -15.362 0.492 2.586 1.00 0.00 C ATOM 527 C PRO A 418 -15.876 -0.292 1.388 1.00 0.00 C ATOM 528 O PRO A 418 -16.758 0.161 0.660 1.00 0.00 O ATOM 529 CB PRO A 418 -16.518 1.182 3.304 1.00 0.00 C ATOM 530 CG PRO A 418 -15.938 2.453 3.804 1.00 0.00 C ATOM 531 CD PRO A 418 -14.968 2.882 2.749 1.00 0.00 C ATOM 0 HA PRO A 418 -14.834 -0.241 3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.353 1.365 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.899 0.571 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.711 3.206 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.439 2.308 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.447 3.497 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.151 3.471 3.167 1.00 0.00 H new ATOM 539 N GLY A 419 -15.321 -1.471 1.200 1.00 0.00 N ATOM 540 CA GLY A 419 -15.660 -2.286 0.051 1.00 0.00 C ATOM 541 C GLY A 419 -14.449 -2.554 -0.816 1.00 0.00 C ATOM 542 O GLY A 419 -14.487 -3.393 -1.718 1.00 0.00 O ATOM 0 H GLY A 419 -14.633 -1.887 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.085 -3.232 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.427 -1.784 -0.539 1.00 0.00 H new ATOM 546 N TYR A 420 -13.373 -1.831 -0.543 1.00 0.00 N ATOM 547 CA TYR A 420 -12.117 -2.015 -1.249 1.00 0.00 C ATOM 548 C TYR A 420 -11.045 -2.512 -0.292 1.00 0.00 C ATOM 549 O TYR A 420 -11.044 -2.155 0.889 1.00 0.00 O ATOM 550 CB TYR A 420 -11.660 -0.703 -1.895 1.00 0.00 C ATOM 551 CG TYR A 420 -12.584 -0.205 -2.986 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.554 -0.772 -4.253 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.485 0.827 -2.752 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.392 -0.330 -5.256 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.330 1.275 -3.753 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.278 0.692 -5.002 1.00 0.00 C ATOM 557 OH TYR A 420 -15.117 1.128 -6.001 1.00 0.00 O ATOM 0 H TYR A 420 -13.347 -1.103 0.171 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.274 -2.756 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.579 0.062 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.663 -0.842 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.861 -1.575 -4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.527 1.286 -1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.353 -0.784 -6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.026 2.077 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.681 1.854 -5.661 1.00 0.00 H new ATOM 567 N ALA A 421 -10.146 -3.335 -0.806 1.00 0.00 N ATOM 568 CA ALA A 421 -9.042 -3.862 -0.024 1.00 0.00 C ATOM 569 C ALA A 421 -7.953 -4.373 -0.954 1.00 0.00 C ATOM 570 O ALA A 421 -8.086 -4.283 -2.173 1.00 0.00 O ATOM 571 CB ALA A 421 -9.517 -4.974 0.904 1.00 0.00 C ATOM 0 H ALA A 421 -10.161 -3.655 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.636 -3.061 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.673 -5.353 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.273 -4.582 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.946 -5.783 0.313 1.00 0.00 H new ATOM 577 N LEU A 422 -6.886 -4.903 -0.381 1.00 0.00 N ATOM 578 CA LEU A 422 -5.804 -5.474 -1.166 1.00 0.00 C ATOM 579 C LEU A 422 -6.166 -6.870 -1.635 1.00 0.00 C ATOM 580 O LEU A 422 -7.036 -7.529 -1.057 1.00 0.00 O ATOM 581 CB LEU A 422 -4.526 -5.549 -0.334 1.00 0.00 C ATOM 582 CG LEU A 422 -3.905 -4.206 0.045 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.743 -4.415 0.997 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.444 -3.460 -1.194 1.00 0.00 C ATOM 0 H LEU A 422 -6.745 -4.950 0.628 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.641 -4.831 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.742 -6.100 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.787 -6.127 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.664 -3.604 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.309 -3.450 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.098 -4.911 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.986 -5.034 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.005 -2.506 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.699 -4.056 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.296 -3.281 -1.849 1.00 0.00 H new ATOM 596 N PRO A 423 -5.506 -7.331 -2.702 1.00 0.00 N ATOM 597 CA PRO A 423 -5.614 -8.710 -3.153 1.00 0.00 C ATOM 598 C PRO A 423 -5.264 -9.676 -2.027 1.00 0.00 C ATOM 599 O PRO A 423 -4.487 -9.339 -1.134 1.00 0.00 O ATOM 600 CB PRO A 423 -4.594 -8.799 -4.289 1.00 0.00 C ATOM 601 CG PRO A 423 -4.425 -7.396 -4.758 1.00 0.00 C ATOM 602 CD PRO A 423 -4.610 -6.534 -3.551 1.00 0.00 C ATOM 0 HA PRO A 423 -6.622 -8.976 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.649 -9.216 -3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.951 -9.444 -5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.438 -7.247 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.156 -7.151 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.662 -6.329 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.050 -5.571 -3.808 1.00 0.00 H new ATOM 610 N LYS A 424 -5.867 -10.856 -2.063 1.00 0.00 N ATOM 611 CA LYS A 424 -5.672 -11.879 -1.031 1.00 0.00 C ATOM 612 C LYS A 424 -6.194 -11.396 0.323 1.00 0.00 C ATOM 613 O LYS A 424 -5.816 -11.932 1.370 1.00 0.00 O ATOM 614 CB LYS A 424 -4.195 -12.274 -0.913 1.00 0.00 C ATOM 615 CG LYS A 424 -3.566 -12.697 -2.231 1.00 0.00 C ATOM 616 CD LYS A 424 -2.149 -13.224 -2.048 1.00 0.00 C ATOM 617 CE LYS A 424 -2.123 -14.660 -1.529 1.00 0.00 C ATOM 618 NZ LYS A 424 -2.583 -14.772 -0.120 1.00 0.00 N ATOM 0 H LYS A 424 -6.506 -11.137 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.241 -12.759 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.635 -11.432 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.103 -13.092 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.182 -13.468 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.551 -11.847 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.621 -13.175 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -1.612 -12.580 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -2.755 -15.282 -2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.109 -15.051 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -2.031 -15.506 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.449 -13.860 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -3.591 -15.028 -0.103 1.00 0.00 H new ATOM 632 N ALA A 425 -7.056 -10.377 0.284 1.00 0.00 N ATOM 633 CA ALA A 425 -7.660 -9.799 1.485 1.00 0.00 C ATOM 634 C ALA A 425 -6.597 -9.225 2.414 1.00 0.00 C ATOM 635 O ALA A 425 -6.793 -9.136 3.626 1.00 0.00 O ATOM 636 CB ALA A 425 -8.516 -10.831 2.212 1.00 0.00 C ATOM 0 H ALA A 425 -7.355 -9.930 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.307 -8.980 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.955 -10.378 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.311 -11.175 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.895 -11.678 2.504 1.00 0.00 H new ATOM 642 N GLN A 426 -5.472 -8.831 1.829 1.00 0.00 N ATOM 643 CA GLN A 426 -4.353 -8.293 2.588 1.00 0.00 C ATOM 644 C GLN A 426 -4.654 -6.882 3.073 1.00 0.00 C ATOM 645 O GLN A 426 -5.523 -6.198 2.527 1.00 0.00 O ATOM 646 CB GLN A 426 -3.092 -8.294 1.728 1.00 0.00 C ATOM 647 CG GLN A 426 -2.627 -9.690 1.357 1.00 0.00 C ATOM 648 CD GLN A 426 -1.451 -9.684 0.407 1.00 0.00 C ATOM 649 OE1 GLN A 426 -1.614 -9.722 -0.810 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.256 -9.619 0.959 1.00 0.00 N ATOM 0 H GLN A 426 -5.312 -8.875 0.823 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.193 -8.927 3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.280 -7.726 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.293 -7.782 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.353 -10.229 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.454 -10.234 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.164 -9.589 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.577 -9.598 0.371 1.00 0.00 H new ATOM 659 N THR A 427 -3.940 -6.455 4.100 1.00 0.00 N ATOM 660 CA THR A 427 -4.112 -5.122 4.649 1.00 0.00 C ATOM 661 C THR A 427 -2.783 -4.383 4.661 1.00 0.00 C ATOM 662 O THR A 427 -2.735 -3.154 4.664 1.00 0.00 O ATOM 663 CB THR A 427 -4.679 -5.176 6.081 1.00 0.00 C ATOM 664 OG1 THR A 427 -3.900 -6.076 6.884 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.134 -5.624 6.076 1.00 0.00 C ATOM 0 H THR A 427 -3.232 -7.016 4.573 1.00 0.00 H new ATOM 0 HA THR A 427 -4.821 -4.591 4.014 1.00 0.00 H new ATOM 0 HB THR A 427 -4.628 -4.173 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.266 -6.103 7.793 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.509 -5.653 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.729 -4.922 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.207 -6.618 5.634 1.00 0.00 H new ATOM 673 N THR A 428 -1.705 -5.148 4.656 1.00 0.00 N ATOM 674 CA THR A 428 -0.375 -4.599 4.698 1.00 0.00 C ATOM 675 C THR A 428 0.349 -4.788 3.373 1.00 0.00 C ATOM 676 O THR A 428 0.292 -5.862 2.768 1.00 0.00 O ATOM 677 CB THR A 428 0.434 -5.271 5.807 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.025 -6.614 6.016 1.00 0.00 O ATOM 679 CG2 THR A 428 0.352 -4.483 7.104 1.00 0.00 C ATOM 0 H THR A 428 -1.735 -6.167 4.623 1.00 0.00 H new ATOM 0 HA THR A 428 -0.467 -3.531 4.895 1.00 0.00 H new ATOM 0 HB THR A 428 1.477 -5.296 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.503 -7.033 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.938 -4.986 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.747 -3.480 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.688 -4.417 7.425 1.00 0.00 H new ATOM 687 N VAL A 429 1.021 -3.743 2.924 1.00 0.00 N ATOM 688 CA VAL A 429 1.836 -3.819 1.728 1.00 0.00 C ATOM 689 C VAL A 429 3.294 -3.723 2.119 1.00 0.00 C ATOM 690 O VAL A 429 3.704 -2.791 2.809 1.00 0.00 O ATOM 691 CB VAL A 429 1.518 -2.698 0.719 1.00 0.00 C ATOM 692 CG1 VAL A 429 1.989 -3.085 -0.666 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.037 -2.367 0.705 1.00 0.00 C ATOM 0 H VAL A 429 1.017 -2.827 3.374 1.00 0.00 H new ATOM 0 HA VAL A 429 1.616 -4.770 1.244 1.00 0.00 H new ATOM 0 HB VAL A 429 2.054 -1.803 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.757 -2.283 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.066 -3.253 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.484 -3.998 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.152 -1.573 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.531 -3.254 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.271 -2.036 1.697 1.00 0.00 H new ATOM 703 N THR A 430 4.066 -4.701 1.703 1.00 0.00 N ATOM 704 CA THR A 430 5.478 -4.734 1.998 1.00 0.00 C ATOM 705 C THR A 430 6.248 -3.984 0.918 1.00 0.00 C ATOM 706 O THR A 430 5.958 -4.125 -0.259 1.00 0.00 O ATOM 707 CB THR A 430 5.955 -6.198 2.089 1.00 0.00 C ATOM 708 OG1 THR A 430 5.168 -6.889 3.071 1.00 0.00 O ATOM 709 CG2 THR A 430 7.429 -6.292 2.456 1.00 0.00 C ATOM 0 H THR A 430 3.733 -5.493 1.153 1.00 0.00 H new ATOM 0 HA THR A 430 5.662 -4.247 2.956 1.00 0.00 H new ATOM 0 HB THR A 430 5.829 -6.658 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.466 -7.821 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.724 -7.340 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.026 -5.785 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.594 -5.819 3.424 1.00 0.00 H new ATOM 717 N CYS A 431 7.191 -3.156 1.324 1.00 0.00 N ATOM 718 CA CYS A 431 8.033 -2.436 0.387 1.00 0.00 C ATOM 719 C CYS A 431 9.018 -3.382 -0.252 1.00 0.00 C ATOM 720 O CYS A 431 9.907 -3.896 0.424 1.00 0.00 O ATOM 721 CB CYS A 431 8.823 -1.332 1.085 1.00 0.00 C ATOM 722 SG CYS A 431 10.049 -0.523 0.005 1.00 0.00 S ATOM 0 H CYS A 431 7.395 -2.964 2.305 1.00 0.00 H new ATOM 0 HA CYS A 431 7.380 -1.993 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.128 -0.580 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.334 -1.753 1.950 1.00 0.00 H new ATOM 727 N MET A 432 8.870 -3.618 -1.544 1.00 0.00 N ATOM 728 CA MET A 432 9.837 -4.412 -2.258 1.00 0.00 C ATOM 729 C MET A 432 9.988 -3.943 -3.677 1.00 0.00 C ATOM 730 O MET A 432 9.026 -3.549 -4.333 1.00 0.00 O ATOM 731 CB MET A 432 9.531 -5.894 -2.197 1.00 0.00 C ATOM 732 CG MET A 432 9.987 -6.520 -0.899 1.00 0.00 C ATOM 733 SD MET A 432 10.545 -8.224 -1.090 1.00 0.00 S ATOM 734 CE MET A 432 11.026 -8.610 0.591 1.00 0.00 C ATOM 0 H MET A 432 8.095 -3.272 -2.110 1.00 0.00 H new ATOM 0 HA MET A 432 10.792 -4.270 -1.753 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.458 -6.047 -2.314 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.018 -6.398 -3.032 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.798 -5.924 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.167 -6.491 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 432 11.395 -9.635 0.638 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.813 -7.926 0.910 1.00 0.00 H new ATOM 0 HE3 MET A 432 10.164 -8.504 1.250 1.00 0.00 H new ATOM 744 N GLU A 433 11.232 -3.996 -4.113 1.00 0.00 N ATOM 745 CA GLU A 433 11.688 -3.434 -5.360 1.00 0.00 C ATOM 746 C GLU A 433 11.042 -2.088 -5.682 1.00 0.00 C ATOM 747 O GLU A 433 10.692 -1.830 -6.829 1.00 0.00 O ATOM 748 CB GLU A 433 11.494 -4.426 -6.477 1.00 0.00 C ATOM 749 CG GLU A 433 12.342 -5.677 -6.318 1.00 0.00 C ATOM 750 CD GLU A 433 13.814 -5.384 -6.521 1.00 0.00 C ATOM 751 OE1 GLU A 433 14.396 -4.645 -5.698 1.00 0.00 O ATOM 752 OE2 GLU A 433 14.386 -5.852 -7.525 1.00 0.00 O ATOM 0 H GLU A 433 11.977 -4.450 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 433 12.753 -3.229 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 433 10.443 -4.710 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.737 -3.948 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 433 12.188 -6.097 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 433 12.018 -6.430 -7.036 1.00 0.00 H new ATOM 759 N ASN A 434 10.887 -1.244 -4.647 1.00 0.00 N ATOM 760 CA ASN A 434 10.387 0.138 -4.801 1.00 0.00 C ATOM 761 C ASN A 434 8.897 0.165 -5.166 1.00 0.00 C ATOM 762 O ASN A 434 8.189 1.130 -4.881 1.00 0.00 O ATOM 763 CB ASN A 434 11.202 0.884 -5.868 1.00 0.00 C ATOM 764 CG ASN A 434 10.767 2.324 -6.070 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.355 3.005 -5.133 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.850 2.790 -7.305 1.00 0.00 N ATOM 0 H ASN A 434 11.103 -1.497 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 434 10.505 0.639 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.255 0.868 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.118 0.352 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.566 3.748 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.198 2.191 -8.054 1.00 0.00 H new ATOM 773 N GLY A 435 8.421 -0.915 -5.754 1.00 0.00 N ATOM 774 CA GLY A 435 7.074 -0.940 -6.285 1.00 0.00 C ATOM 775 C GLY A 435 6.104 -1.725 -5.434 1.00 0.00 C ATOM 776 O GLY A 435 5.048 -2.126 -5.919 1.00 0.00 O ATOM 0 H GLY A 435 8.944 -1.782 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.712 0.083 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.095 -1.369 -7.287 1.00 0.00 H new ATOM 780 N TRP A 436 6.449 -1.879 -4.156 1.00 0.00 N ATOM 781 CA TRP A 436 5.663 -2.618 -3.191 1.00 0.00 C ATOM 782 C TRP A 436 5.381 -4.077 -3.608 1.00 0.00 C ATOM 783 O TRP A 436 4.876 -4.346 -4.696 1.00 0.00 O ATOM 784 CB TRP A 436 4.387 -1.849 -2.947 1.00 0.00 C ATOM 785 CG TRP A 436 4.611 -0.479 -2.369 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.632 0.707 -3.052 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.851 -0.149 -0.995 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.870 1.747 -2.190 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.009 1.247 -0.923 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.951 -0.898 0.180 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.260 1.908 0.276 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.199 -0.239 1.370 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.350 1.151 1.409 1.00 0.00 C ATOM 0 H TRP A 436 7.302 -1.482 -3.763 1.00 0.00 H new ATOM 0 HA TRP A 436 6.239 -2.707 -2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.845 -1.753 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.752 -2.420 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.483 0.809 -4.117 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.933 2.731 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.837 -1.972 0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.379 2.981 0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.277 -0.807 2.285 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.542 1.636 2.355 1.00 0.00 H new ATOM 804 N SER A 437 5.674 -5.006 -2.700 1.00 0.00 N ATOM 805 CA SER A 437 5.685 -6.438 -2.999 1.00 0.00 C ATOM 806 C SER A 437 4.391 -6.902 -3.678 1.00 0.00 C ATOM 807 O SER A 437 4.420 -7.319 -4.838 1.00 0.00 O ATOM 808 CB SER A 437 5.929 -7.240 -1.714 1.00 0.00 C ATOM 809 OG SER A 437 7.206 -7.030 -1.194 1.00 0.00 O ATOM 0 H SER A 437 5.911 -4.787 -1.733 1.00 0.00 H new ATOM 0 HA SER A 437 6.498 -6.618 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.185 -6.962 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.793 -8.302 -1.919 1.00 0.00 H new ATOM 0 HG SER A 437 7.317 -7.558 -0.376 1.00 0.00 H new ATOM 815 N PRO A 438 3.231 -6.826 -2.992 1.00 0.00 N ATOM 816 CA PRO A 438 1.974 -7.307 -3.545 1.00 0.00 C ATOM 817 C PRO A 438 1.237 -6.233 -4.338 1.00 0.00 C ATOM 818 O PRO A 438 0.173 -6.479 -4.910 1.00 0.00 O ATOM 819 CB PRO A 438 1.207 -7.673 -2.289 1.00 0.00 C ATOM 820 CG PRO A 438 1.610 -6.642 -1.296 1.00 0.00 C ATOM 821 CD PRO A 438 3.036 -6.284 -1.623 1.00 0.00 C ATOM 0 HA PRO A 438 2.103 -8.125 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.131 -7.659 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.461 -8.676 -1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.964 -5.766 -1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.528 -7.026 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.195 -5.206 -1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.733 -6.729 -0.913 1.00 0.00 H new ATOM 829 N THR A 439 1.833 -5.043 -4.344 1.00 0.00 N ATOM 830 CA THR A 439 1.309 -3.876 -5.049 1.00 0.00 C ATOM 831 C THR A 439 0.093 -3.289 -4.326 1.00 0.00 C ATOM 832 O THR A 439 -0.896 -3.979 -4.090 1.00 0.00 O ATOM 833 CB THR A 439 0.947 -4.208 -6.513 1.00 0.00 C ATOM 834 OG1 THR A 439 2.040 -4.897 -7.133 1.00 0.00 O ATOM 835 CG2 THR A 439 0.641 -2.943 -7.302 1.00 0.00 C ATOM 0 H THR A 439 2.707 -4.860 -3.851 1.00 0.00 H new ATOM 0 HA THR A 439 2.102 -3.129 -5.057 1.00 0.00 H new ATOM 0 HB THR A 439 0.058 -4.839 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.809 -5.109 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.389 -3.207 -8.329 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.201 -2.423 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.515 -2.292 -7.298 1.00 0.00 H new ATOM 843 N PRO A 440 0.176 -2.007 -3.935 1.00 0.00 N ATOM 844 CA PRO A 440 -0.929 -1.307 -3.276 1.00 0.00 C ATOM 845 C PRO A 440 -2.122 -1.120 -4.217 1.00 0.00 C ATOM 846 O PRO A 440 -2.176 -0.169 -4.998 1.00 0.00 O ATOM 847 CB PRO A 440 -0.319 0.043 -2.875 1.00 0.00 C ATOM 848 CG PRO A 440 0.863 0.225 -3.769 1.00 0.00 C ATOM 849 CD PRO A 440 1.361 -1.152 -4.097 1.00 0.00 C ATOM 0 HA PRO A 440 -1.324 -1.862 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.037 0.853 -3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.022 0.044 -1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.586 0.764 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.638 0.811 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.754 -1.203 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.166 -1.455 -3.428 1.00 0.00 H new ATOM 857 N ARG A 441 -3.069 -2.050 -4.142 1.00 0.00 N ATOM 858 CA ARG A 441 -4.217 -2.070 -5.045 1.00 0.00 C ATOM 859 C ARG A 441 -5.515 -2.227 -4.265 1.00 0.00 C ATOM 860 O ARG A 441 -5.812 -3.307 -3.758 1.00 0.00 O ATOM 861 CB ARG A 441 -4.077 -3.229 -6.038 1.00 0.00 C ATOM 862 CG ARG A 441 -2.829 -3.146 -6.891 1.00 0.00 C ATOM 863 CD ARG A 441 -2.951 -2.075 -7.959 1.00 0.00 C ATOM 864 NE ARG A 441 -3.541 -2.598 -9.188 1.00 0.00 N ATOM 865 CZ ARG A 441 -4.039 -1.833 -10.157 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.219 -0.533 -9.956 1.00 0.00 N ATOM 867 NH2 ARG A 441 -4.403 -2.378 -11.310 1.00 0.00 N ATOM 0 H ARG A 441 -3.064 -2.807 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.245 -1.124 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.069 -4.170 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -4.951 -3.247 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -1.968 -2.932 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.645 -4.111 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.563 -1.255 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -1.965 -1.664 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 441 -3.574 -3.610 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.975 -0.117 -9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.601 0.050 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -4.301 -3.383 -11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -4.785 -1.792 -12.053 1.00 0.00 H new ATOM 881 N CYS A 442 -6.280 -1.151 -4.166 1.00 0.00 N ATOM 882 CA CYS A 442 -7.569 -1.193 -3.490 1.00 0.00 C ATOM 883 C CYS A 442 -8.652 -1.704 -4.431 1.00 0.00 C ATOM 884 O CYS A 442 -9.395 -0.921 -5.026 1.00 0.00 O ATOM 885 CB CYS A 442 -7.943 0.192 -2.962 1.00 0.00 C ATOM 886 SG CYS A 442 -6.810 0.833 -1.690 1.00 0.00 S ATOM 0 H CYS A 442 -6.031 -0.237 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.488 -1.879 -2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.969 0.893 -3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.951 0.152 -2.549 1.00 0.00 H new ATOM 891 N ILE A 443 -8.726 -3.017 -4.572 1.00 0.00 N ATOM 892 CA ILE A 443 -9.728 -3.641 -5.406 1.00 0.00 C ATOM 893 C ILE A 443 -11.002 -3.894 -4.623 1.00 0.00 C ATOM 894 O ILE A 443 -11.000 -3.896 -3.392 1.00 0.00 O ATOM 895 CB ILE A 443 -9.232 -4.970 -5.994 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.528 -5.811 -4.936 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.314 -4.713 -7.158 1.00 0.00 C ATOM 898 CD1 ILE A 443 -8.145 -7.195 -5.415 1.00 0.00 C ATOM 0 H ILE A 443 -8.095 -3.673 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.931 -2.950 -6.224 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.099 -5.530 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.630 -5.288 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.179 -5.904 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.969 -5.663 -7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.850 -4.160 -7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.457 -4.129 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.649 -7.735 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.042 -7.737 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.469 -7.111 -6.266 1.00 0.00 H new ATOM 910 N ARG A 444 -12.088 -4.097 -5.346 1.00 0.00 N ATOM 911 CA ARG A 444 -13.379 -4.318 -4.730 1.00 0.00 C ATOM 912 C ARG A 444 -13.460 -5.724 -4.161 1.00 0.00 C ATOM 913 O ARG A 444 -13.304 -6.711 -4.880 1.00 0.00 O ATOM 914 CB ARG A 444 -14.494 -4.079 -5.746 1.00 0.00 C ATOM 915 CG ARG A 444 -15.872 -4.048 -5.121 1.00 0.00 C ATOM 916 CD ARG A 444 -16.928 -3.568 -6.105 1.00 0.00 C ATOM 917 NE ARG A 444 -17.041 -4.439 -7.274 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.028 -4.364 -8.167 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.984 -3.456 -8.038 1.00 0.00 N ATOM 920 NH2 ARG A 444 -18.043 -5.194 -9.199 1.00 0.00 N ATOM 0 H ARG A 444 -12.099 -4.113 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.503 -3.612 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.313 -3.134 -6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.462 -4.863 -6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.133 -5.045 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.862 -3.392 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.893 -3.515 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.683 -2.557 -6.431 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.321 -5.147 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.969 -2.807 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.736 -3.405 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.302 -5.886 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -18.796 -5.141 -9.885 1.00 0.00 H new ATOM 934 N VAL A 445 -13.711 -5.796 -2.867 1.00 0.00 N ATOM 935 CA VAL A 445 -13.715 -7.056 -2.148 1.00 0.00 C ATOM 936 C VAL A 445 -15.136 -7.402 -1.687 1.00 0.00 C ATOM 937 O VAL A 445 -15.348 -8.301 -0.867 1.00 0.00 O ATOM 938 CB VAL A 445 -12.739 -6.974 -0.951 1.00 0.00 C ATOM 939 CG1 VAL A 445 -13.276 -6.057 0.139 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.413 -8.354 -0.400 1.00 0.00 C ATOM 0 H VAL A 445 -13.918 -4.984 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.379 -7.853 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 445 -11.809 -6.541 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.567 -6.021 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.414 -5.054 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.232 -6.439 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.725 -8.257 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.330 -8.837 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.950 -8.957 -1.181 1.00 0.00 H new