USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 427 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 163:sc= -0.0688 (180deg=-0.367) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.0792 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -2.91! C(o=-2.9!,f=-7.2!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD Single : A 400 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.8!) USER MOD Single : A 401 ASN : amide:sc=-0.000105 X(o=-0.0001,f=0) USER MOD Single : A 402 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.92) USER MOD Single : A 405 LYS NZ :NH3+ -133:sc= -1.23 (180deg=-3.71!) USER MOD Single : A 408 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1.5) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= -2.11! USER MOD Single : A 417 HIS : no HD1:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 166:sc= -0.0436 (180deg=-0.224) USER MOD Single : A 426 GLN : amide:sc= -0.741 K(o=-0.74,f=-4.7!) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -159:sc= -0.137 (180deg=-0.714) USER MOD Single : A 434 ASN : amide:sc= -0.169 K(o=-0.17,f=-1) USER MOD Single : A 437 SER OG : rot 99:sc= 1.03 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.785 -1.324 -3.533 1.00 0.00 N ATOM 21 CA ARG A 387 15.405 -1.225 -2.125 1.00 0.00 C ATOM 22 C ARG A 387 14.795 0.111 -1.712 1.00 0.00 C ATOM 23 O ARG A 387 14.918 0.538 -0.566 1.00 0.00 O ATOM 24 CB ARG A 387 16.565 -1.669 -1.220 1.00 0.00 C ATOM 25 CG ARG A 387 17.861 -0.908 -1.394 1.00 0.00 C ATOM 26 CD ARG A 387 17.810 0.408 -0.658 1.00 0.00 C ATOM 27 NE ARG A 387 19.020 1.199 -0.843 1.00 0.00 N ATOM 28 CZ ARG A 387 19.814 1.589 0.151 1.00 0.00 C ATOM 29 NH1 ARG A 387 19.589 1.182 1.394 1.00 0.00 N ATOM 30 NH2 ARG A 387 20.859 2.361 -0.107 1.00 0.00 N ATOM 0 HA ARG A 387 14.579 -1.922 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 387 16.247 -1.576 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 387 16.759 -2.726 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 387 18.693 -1.506 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 387 18.045 -0.731 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 387 16.949 0.981 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 387 17.662 0.220 0.405 1.00 0.00 H new ATOM 0 HE ARG A 387 19.274 1.470 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 387 18.802 0.565 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 387 20.203 1.486 2.149 1.00 0.00 H new ATOM 0 HH21 ARG A 387 21.052 2.654 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 387 21.470 2.662 0.652 1.00 0.00 H new ATOM 44 N LYS A 388 14.078 0.723 -2.633 1.00 0.00 N ATOM 45 CA LYS A 388 13.294 1.915 -2.340 1.00 0.00 C ATOM 46 C LYS A 388 11.879 1.731 -2.844 1.00 0.00 C ATOM 47 O LYS A 388 11.630 0.945 -3.762 1.00 0.00 O ATOM 48 CB LYS A 388 13.886 3.189 -2.950 1.00 0.00 C ATOM 49 CG LYS A 388 14.942 3.870 -2.090 1.00 0.00 C ATOM 50 CD LYS A 388 16.345 3.399 -2.416 1.00 0.00 C ATOM 51 CE LYS A 388 16.760 3.807 -3.822 1.00 0.00 C ATOM 52 NZ LYS A 388 16.713 5.280 -4.014 1.00 0.00 N ATOM 0 H LYS A 388 14.020 0.413 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 388 13.306 2.041 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.326 2.943 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.078 3.896 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.882 4.949 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.731 3.675 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 388 17.047 3.816 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.397 2.314 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.770 3.448 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.103 3.326 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.263 5.538 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 15.726 5.583 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.118 5.752 -3.180 1.00 0.00 H new ATOM 66 N CYS A 389 10.958 2.461 -2.246 1.00 0.00 N ATOM 67 CA CYS A 389 9.545 2.273 -2.520 1.00 0.00 C ATOM 68 C CYS A 389 8.749 3.544 -2.253 1.00 0.00 C ATOM 69 O CYS A 389 8.617 3.978 -1.110 1.00 0.00 O ATOM 70 CB CYS A 389 9.033 1.135 -1.647 1.00 0.00 C ATOM 71 SG CYS A 389 10.221 0.652 -0.357 1.00 0.00 S ATOM 0 H CYS A 389 11.163 3.192 -1.565 1.00 0.00 H new ATOM 0 HA CYS A 389 9.416 2.029 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.096 1.435 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.813 0.271 -2.275 1.00 0.00 H new ATOM 76 N TYR A 390 8.248 4.148 -3.317 1.00 0.00 N ATOM 77 CA TYR A 390 7.389 5.317 -3.213 1.00 0.00 C ATOM 78 C TYR A 390 5.937 4.882 -3.032 1.00 0.00 C ATOM 79 O TYR A 390 5.486 3.926 -3.668 1.00 0.00 O ATOM 80 CB TYR A 390 7.542 6.186 -4.468 1.00 0.00 C ATOM 81 CG TYR A 390 6.654 7.409 -4.489 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.852 8.450 -3.592 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.620 7.525 -5.412 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.046 9.570 -3.612 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.810 8.642 -5.438 1.00 0.00 C ATOM 86 CZ TYR A 390 5.028 9.660 -4.534 1.00 0.00 C ATOM 87 OH TYR A 390 4.229 10.780 -4.559 1.00 0.00 O ATOM 0 H TYR A 390 8.424 3.844 -4.275 1.00 0.00 H new ATOM 0 HA TYR A 390 7.683 5.906 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.581 6.504 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.324 5.578 -5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.650 8.382 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.448 6.728 -6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.213 10.372 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.011 8.718 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 390 3.559 10.688 -5.268 1.00 0.00 H new ATOM 97 N PHE A 391 5.218 5.562 -2.152 1.00 0.00 N ATOM 98 CA PHE A 391 3.823 5.230 -1.895 1.00 0.00 C ATOM 99 C PHE A 391 2.911 5.940 -2.901 1.00 0.00 C ATOM 100 O PHE A 391 2.904 7.172 -2.988 1.00 0.00 O ATOM 101 CB PHE A 391 3.443 5.608 -0.460 1.00 0.00 C ATOM 102 CG PHE A 391 2.147 4.997 0.000 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.136 3.747 0.597 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.947 5.670 -0.158 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.952 3.180 1.026 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.241 5.109 0.268 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.239 3.862 0.861 1.00 0.00 C ATOM 0 H PHE A 391 5.575 6.345 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 391 3.692 4.154 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.242 5.295 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.370 6.693 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.064 3.210 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.940 6.646 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.957 2.205 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.170 5.645 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.166 3.420 1.195 1.00 0.00 H new ATOM 117 N PRO A 392 2.136 5.154 -3.674 1.00 0.00 N ATOM 118 CA PRO A 392 1.253 5.673 -4.730 1.00 0.00 C ATOM 119 C PRO A 392 -0.024 6.309 -4.188 1.00 0.00 C ATOM 120 O PRO A 392 -0.149 6.584 -2.992 1.00 0.00 O ATOM 121 CB PRO A 392 0.924 4.419 -5.543 1.00 0.00 C ATOM 122 CG PRO A 392 0.989 3.304 -4.559 1.00 0.00 C ATOM 123 CD PRO A 392 2.062 3.681 -3.573 1.00 0.00 C ATOM 0 HA PRO A 392 1.729 6.470 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.064 4.489 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.638 4.274 -6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.030 3.169 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.227 2.362 -5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.806 3.362 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.015 3.215 -3.822 1.00 0.00 H new ATOM 131 N TYR A 393 -0.972 6.545 -5.079 1.00 0.00 N ATOM 132 CA TYR A 393 -2.200 7.230 -4.726 1.00 0.00 C ATOM 133 C TYR A 393 -3.416 6.431 -5.188 1.00 0.00 C ATOM 134 O TYR A 393 -3.832 6.513 -6.344 1.00 0.00 O ATOM 135 CB TYR A 393 -2.200 8.628 -5.346 1.00 0.00 C ATOM 136 CG TYR A 393 -3.353 9.506 -4.907 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.598 9.433 -5.525 1.00 0.00 C ATOM 138 CD2 TYR A 393 -3.190 10.417 -3.873 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.643 10.242 -5.123 1.00 0.00 C ATOM 140 CE2 TYR A 393 -4.230 11.228 -3.465 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.454 11.137 -4.092 1.00 0.00 C ATOM 142 OH TYR A 393 -6.496 11.941 -3.686 1.00 0.00 O ATOM 0 H TYR A 393 -0.912 6.269 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.258 7.323 -3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.264 9.125 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.226 8.531 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.750 8.732 -6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -2.233 10.493 -3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.603 10.174 -5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -4.085 11.931 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 393 -6.199 12.514 -2.949 1.00 0.00 H new ATOM 152 N LEU A 394 -3.967 5.655 -4.274 1.00 0.00 N ATOM 153 CA LEU A 394 -5.160 4.864 -4.541 1.00 0.00 C ATOM 154 C LEU A 394 -6.384 5.771 -4.546 1.00 0.00 C ATOM 155 O LEU A 394 -6.504 6.670 -3.714 1.00 0.00 O ATOM 156 CB LEU A 394 -5.333 3.766 -3.482 1.00 0.00 C ATOM 157 CG LEU A 394 -4.281 2.646 -3.479 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.916 3.159 -3.042 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.729 1.515 -2.570 1.00 0.00 C ATOM 0 H LEU A 394 -3.603 5.553 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.051 4.389 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.333 4.237 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.315 3.312 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.185 2.275 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.199 2.338 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.584 3.940 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.986 3.567 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.977 0.726 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.854 1.892 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.678 1.115 -2.928 1.00 0.00 H new ATOM 171 N GLU A 395 -7.290 5.520 -5.481 1.00 0.00 N ATOM 172 CA GLU A 395 -8.464 6.366 -5.668 1.00 0.00 C ATOM 173 C GLU A 395 -9.509 6.105 -4.593 1.00 0.00 C ATOM 174 O GLU A 395 -10.189 7.020 -4.138 1.00 0.00 O ATOM 175 CB GLU A 395 -9.080 6.116 -7.043 1.00 0.00 C ATOM 176 CG GLU A 395 -8.177 6.483 -8.208 1.00 0.00 C ATOM 177 CD GLU A 395 -8.809 6.170 -9.550 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.906 6.699 -9.837 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.222 5.385 -10.320 1.00 0.00 O ATOM 0 H GLU A 395 -7.235 4.732 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.140 7.404 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.346 5.062 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -10.006 6.686 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.940 7.546 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.235 5.942 -8.118 1.00 0.00 H new ATOM 186 N ASN A 396 -9.630 4.850 -4.194 1.00 0.00 N ATOM 187 CA ASN A 396 -10.634 4.447 -3.219 1.00 0.00 C ATOM 188 C ASN A 396 -9.988 4.085 -1.885 1.00 0.00 C ATOM 189 O ASN A 396 -10.514 3.268 -1.122 1.00 0.00 O ATOM 190 CB ASN A 396 -11.456 3.267 -3.753 1.00 0.00 C ATOM 191 CG ASN A 396 -10.599 2.130 -4.286 1.00 0.00 C ATOM 192 OD1 ASN A 396 -9.465 1.925 -3.852 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.132 1.389 -5.244 1.00 0.00 N ATOM 0 H ASN A 396 -9.043 4.087 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.302 5.292 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.095 2.888 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.113 3.621 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.600 0.618 -5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.075 1.589 -5.578 1.00 0.00 H new ATOM 200 N GLY A 397 -8.855 4.705 -1.602 1.00 0.00 N ATOM 201 CA GLY A 397 -8.167 4.453 -0.356 1.00 0.00 C ATOM 202 C GLY A 397 -7.711 5.734 0.305 1.00 0.00 C ATOM 203 O GLY A 397 -7.600 6.768 -0.349 1.00 0.00 O ATOM 0 H GLY A 397 -8.398 5.380 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.828 3.911 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.304 3.813 -0.541 1.00 0.00 H new ATOM 207 N TYR A 398 -7.459 5.669 1.603 1.00 0.00 N ATOM 208 CA TYR A 398 -6.958 6.815 2.347 1.00 0.00 C ATOM 209 C TYR A 398 -5.451 6.926 2.165 1.00 0.00 C ATOM 210 O TYR A 398 -4.698 6.058 2.609 1.00 0.00 O ATOM 211 CB TYR A 398 -7.291 6.679 3.835 1.00 0.00 C ATOM 212 CG TYR A 398 -8.771 6.632 4.143 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.503 7.801 4.306 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.433 5.419 4.284 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.852 7.763 4.599 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.782 5.373 4.578 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.486 6.547 4.735 1.00 0.00 C ATOM 218 OH TYR A 398 -12.829 6.503 5.030 1.00 0.00 O ATOM 0 H TYR A 398 -7.594 4.829 2.166 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.438 7.716 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.824 5.772 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.847 7.517 4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.009 8.756 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.884 4.497 4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.407 8.681 4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.282 4.422 4.684 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.120 5.569 5.090 1.00 0.00 H new ATOM 228 N ASN A 399 -5.008 7.991 1.521 1.00 0.00 N ATOM 229 CA ASN A 399 -3.604 8.120 1.164 1.00 0.00 C ATOM 230 C ASN A 399 -2.852 8.954 2.183 1.00 0.00 C ATOM 231 O ASN A 399 -2.080 9.839 1.818 1.00 0.00 O ATOM 232 CB ASN A 399 -3.430 8.758 -0.216 1.00 0.00 C ATOM 233 CG ASN A 399 -4.595 8.512 -1.144 1.00 0.00 C ATOM 234 OD1 ASN A 399 -5.516 9.320 -1.231 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.564 7.398 -1.843 1.00 0.00 N ATOM 0 H ASN A 399 -5.595 8.775 1.235 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.195 7.110 1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.292 9.833 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.521 8.369 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.324 7.179 -2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -3.780 6.754 -1.741 1.00 0.00 H new ATOM 242 N GLN A 400 -3.042 8.651 3.460 1.00 0.00 N ATOM 243 CA GLN A 400 -2.352 9.373 4.527 1.00 0.00 C ATOM 244 C GLN A 400 -0.874 8.987 4.594 1.00 0.00 C ATOM 245 O GLN A 400 -0.187 9.288 5.566 1.00 0.00 O ATOM 246 CB GLN A 400 -3.023 9.130 5.880 1.00 0.00 C ATOM 247 CG GLN A 400 -4.207 10.048 6.157 1.00 0.00 C ATOM 248 CD GLN A 400 -5.409 9.773 5.272 1.00 0.00 C ATOM 249 OE1 GLN A 400 -6.274 8.976 5.622 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.476 10.431 4.124 1.00 0.00 N ATOM 0 H GLN A 400 -3.666 7.912 3.785 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.418 10.436 4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.360 8.095 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.283 9.260 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.503 9.941 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -3.894 11.083 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.737 11.086 3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.266 10.283 3.497 1.00 0.00 H new ATOM 259 N ASN A 401 -0.399 8.309 3.558 1.00 0.00 N ATOM 260 CA ASN A 401 1.008 7.971 3.438 1.00 0.00 C ATOM 261 C ASN A 401 1.518 8.329 2.046 1.00 0.00 C ATOM 262 O ASN A 401 2.660 8.032 1.703 1.00 0.00 O ATOM 263 CB ASN A 401 1.252 6.481 3.721 1.00 0.00 C ATOM 264 CG ASN A 401 1.041 6.109 5.173 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.945 6.238 5.998 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.137 5.607 5.490 1.00 0.00 N ATOM 0 H ASN A 401 -0.976 7.981 2.783 1.00 0.00 H new ATOM 0 HA ASN A 401 1.556 8.550 4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.584 5.885 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.271 6.225 3.431 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.324 5.310 6.448 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.861 5.516 4.777 1.00 0.00 H new ATOM 273 N HIS A 402 0.671 8.978 1.243 1.00 0.00 N ATOM 274 CA HIS A 402 1.050 9.351 -0.117 1.00 0.00 C ATOM 275 C HIS A 402 2.160 10.391 -0.106 1.00 0.00 C ATOM 276 O HIS A 402 2.128 11.341 0.675 1.00 0.00 O ATOM 277 CB HIS A 402 -0.158 9.890 -0.887 1.00 0.00 C ATOM 278 CG HIS A 402 0.161 10.376 -2.272 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.077 11.665 -2.686 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.682 9.733 -3.343 1.00 0.00 C ATOM 281 CE1 HIS A 402 0.275 11.794 -3.949 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.739 10.635 -4.376 1.00 0.00 N ATOM 0 H HIS A 402 -0.274 9.253 1.511 1.00 0.00 H new ATOM 0 HA HIS A 402 1.416 8.455 -0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -0.911 9.105 -0.954 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.600 10.709 -0.320 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.995 8.700 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 402 0.197 12.697 -4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 402 1.083 10.442 -5.317 1.00 0.00 H new ATOM 291 N GLY A 403 3.139 10.191 -0.975 1.00 0.00 N ATOM 292 CA GLY A 403 4.229 11.133 -1.096 1.00 0.00 C ATOM 293 C GLY A 403 5.404 10.746 -0.227 1.00 0.00 C ATOM 294 O GLY A 403 6.451 11.387 -0.258 1.00 0.00 O ATOM 0 H GLY A 403 3.197 9.388 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.549 11.187 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.882 12.128 -0.817 1.00 0.00 H new ATOM 298 N ARG A 404 5.222 9.692 0.552 1.00 0.00 N ATOM 299 CA ARG A 404 6.273 9.193 1.420 1.00 0.00 C ATOM 300 C ARG A 404 7.123 8.170 0.694 1.00 0.00 C ATOM 301 O ARG A 404 6.624 7.398 -0.131 1.00 0.00 O ATOM 302 CB ARG A 404 5.674 8.578 2.681 1.00 0.00 C ATOM 303 CG ARG A 404 5.204 9.608 3.687 1.00 0.00 C ATOM 304 CD ARG A 404 4.368 8.970 4.781 1.00 0.00 C ATOM 305 NE ARG A 404 4.144 9.880 5.900 1.00 0.00 N ATOM 306 CZ ARG A 404 3.103 10.708 5.994 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.231 10.812 5.001 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.944 11.454 7.075 1.00 0.00 N ATOM 0 H ARG A 404 4.351 9.164 0.600 1.00 0.00 H new ATOM 0 HA ARG A 404 6.908 10.032 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.833 7.943 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.418 7.935 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 404 6.066 10.107 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.618 10.374 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.408 8.659 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.867 8.070 5.140 1.00 0.00 H new ATOM 0 HE ARG A 404 4.827 9.883 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.353 10.256 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.438 11.448 5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.618 11.396 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.147 12.087 7.145 1.00 0.00 H new ATOM 322 N LYS A 405 8.408 8.181 0.996 1.00 0.00 N ATOM 323 CA LYS A 405 9.341 7.245 0.403 1.00 0.00 C ATOM 324 C LYS A 405 9.856 6.291 1.465 1.00 0.00 C ATOM 325 O LYS A 405 10.191 6.705 2.577 1.00 0.00 O ATOM 326 CB LYS A 405 10.500 7.991 -0.254 1.00 0.00 C ATOM 327 CG LYS A 405 10.055 8.906 -1.386 1.00 0.00 C ATOM 328 CD LYS A 405 11.207 9.694 -1.998 1.00 0.00 C ATOM 329 CE LYS A 405 12.166 8.813 -2.792 1.00 0.00 C ATOM 330 NZ LYS A 405 13.072 8.015 -1.920 1.00 0.00 N ATOM 0 H LYS A 405 8.831 8.835 1.655 1.00 0.00 H new ATOM 0 HA LYS A 405 8.826 6.671 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.018 8.582 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.218 7.267 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.577 8.309 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.304 9.602 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.805 10.468 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.757 10.200 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.591 8.138 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.764 9.439 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 14.048 8.093 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.023 8.376 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.778 7.018 -1.934 1.00 0.00 H new ATOM 344 N PHE A 406 9.897 5.020 1.123 1.00 0.00 N ATOM 345 CA PHE A 406 10.295 3.986 2.058 1.00 0.00 C ATOM 346 C PHE A 406 11.492 3.216 1.528 1.00 0.00 C ATOM 347 O PHE A 406 12.004 3.505 0.442 1.00 0.00 O ATOM 348 CB PHE A 406 9.125 3.028 2.317 1.00 0.00 C ATOM 349 CG PHE A 406 7.953 3.674 3.002 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.949 4.281 2.265 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.859 3.675 4.384 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.873 4.877 2.894 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.786 4.270 5.018 1.00 0.00 C ATOM 354 CZ PHE A 406 5.791 4.871 4.273 1.00 0.00 C ATOM 0 H PHE A 406 9.657 4.675 0.194 1.00 0.00 H new ATOM 0 HA PHE A 406 10.578 4.462 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.793 2.609 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.477 2.196 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 406 7.008 4.288 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.633 3.205 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 406 5.097 5.347 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.725 4.265 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.950 5.335 4.767 1.00 0.00 H new ATOM 364 N VAL A 407 11.927 2.242 2.306 1.00 0.00 N ATOM 365 CA VAL A 407 13.081 1.429 1.965 1.00 0.00 C ATOM 366 C VAL A 407 12.715 -0.048 2.105 1.00 0.00 C ATOM 367 O VAL A 407 11.804 -0.391 2.865 1.00 0.00 O ATOM 368 CB VAL A 407 14.288 1.786 2.878 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.977 1.494 4.337 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.549 1.054 2.452 1.00 0.00 C ATOM 0 H VAL A 407 11.490 1.992 3.193 1.00 0.00 H new ATOM 0 HA VAL A 407 13.372 1.629 0.934 1.00 0.00 H new ATOM 0 HB VAL A 407 14.466 2.856 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.839 1.753 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.116 2.085 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.752 0.434 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.370 1.329 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.382 -0.022 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.801 1.329 1.428 1.00 0.00 H new ATOM 380 N GLN A 408 13.393 -0.908 1.349 1.00 0.00 N ATOM 381 CA GLN A 408 13.160 -2.349 1.412 1.00 0.00 C ATOM 382 C GLN A 408 13.197 -2.836 2.857 1.00 0.00 C ATOM 383 O GLN A 408 14.156 -2.578 3.587 1.00 0.00 O ATOM 384 CB GLN A 408 14.208 -3.098 0.582 1.00 0.00 C ATOM 385 CG GLN A 408 14.130 -4.609 0.714 1.00 0.00 C ATOM 386 CD GLN A 408 15.178 -5.331 -0.112 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.682 -6.381 0.289 1.00 0.00 O ATOM 388 NE2 GLN A 408 15.496 -4.789 -1.277 1.00 0.00 N ATOM 0 H GLN A 408 14.113 -0.630 0.682 1.00 0.00 H new ATOM 0 HA GLN A 408 12.172 -2.552 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.088 -2.828 -0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.202 -2.767 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.249 -4.883 1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.139 -4.944 0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 408 15.055 -3.918 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 408 16.182 -5.243 -1.880 1.00 0.00 H new ATOM 397 N GLY A 409 12.147 -3.531 3.261 1.00 0.00 N ATOM 398 CA GLY A 409 12.030 -3.980 4.630 1.00 0.00 C ATOM 399 C GLY A 409 10.915 -3.268 5.364 1.00 0.00 C ATOM 400 O GLY A 409 10.411 -3.762 6.373 1.00 0.00 O ATOM 0 H GLY A 409 11.367 -3.794 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.847 -5.054 4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.973 -3.810 5.150 1.00 0.00 H new ATOM 404 N LYS A 410 10.530 -2.102 4.858 1.00 0.00 N ATOM 405 CA LYS A 410 9.457 -1.330 5.450 1.00 0.00 C ATOM 406 C LYS A 410 8.096 -1.878 5.048 1.00 0.00 C ATOM 407 O LYS A 410 7.942 -2.491 3.989 1.00 0.00 O ATOM 408 CB LYS A 410 9.570 0.135 5.030 1.00 0.00 C ATOM 409 CG LYS A 410 10.759 0.879 5.628 1.00 0.00 C ATOM 410 CD LYS A 410 10.537 1.260 7.085 1.00 0.00 C ATOM 411 CE LYS A 410 10.626 0.061 8.020 1.00 0.00 C ATOM 412 NZ LYS A 410 10.335 0.434 9.427 1.00 0.00 N ATOM 0 H LYS A 410 10.951 -1.673 4.034 1.00 0.00 H new ATOM 0 HA LYS A 410 9.548 -1.405 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.638 0.183 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.654 0.652 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.650 0.255 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.950 1.780 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 410 11.278 2.003 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.558 1.727 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 410 9.923 -0.706 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.623 -0.374 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 10.406 -0.409 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.021 1.147 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 9.374 0.826 9.491 1.00 0.00 H new ATOM 426 N SER A 411 7.118 -1.649 5.904 1.00 0.00 N ATOM 427 CA SER A 411 5.763 -2.098 5.670 1.00 0.00 C ATOM 428 C SER A 411 4.791 -0.965 5.969 1.00 0.00 C ATOM 429 O SER A 411 5.161 0.041 6.582 1.00 0.00 O ATOM 430 CB SER A 411 5.467 -3.303 6.559 1.00 0.00 C ATOM 431 OG SER A 411 4.129 -3.749 6.425 1.00 0.00 O ATOM 0 H SER A 411 7.243 -1.145 6.782 1.00 0.00 H new ATOM 0 HA SER A 411 5.647 -2.392 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.147 -4.116 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.659 -3.041 7.600 1.00 0.00 H new ATOM 0 HG SER A 411 3.982 -4.522 7.009 1.00 0.00 H new ATOM 437 N ILE A 412 3.551 -1.137 5.559 1.00 0.00 N ATOM 438 CA ILE A 412 2.524 -0.127 5.774 1.00 0.00 C ATOM 439 C ILE A 412 1.146 -0.703 5.486 1.00 0.00 C ATOM 440 O ILE A 412 0.959 -1.449 4.525 1.00 0.00 O ATOM 441 CB ILE A 412 2.762 1.138 4.909 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.721 2.218 5.215 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.752 0.803 3.425 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.800 2.759 6.627 1.00 0.00 C ATOM 0 H ILE A 412 3.224 -1.971 5.071 1.00 0.00 H new ATOM 0 HA ILE A 412 2.579 0.173 6.820 1.00 0.00 H new ATOM 0 HB ILE A 412 3.748 1.526 5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.848 3.042 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.725 1.808 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.921 1.711 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.541 0.082 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.786 0.375 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.032 3.519 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.642 1.947 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.783 3.200 6.793 1.00 0.00 H new ATOM 456 N ASP A 413 0.195 -0.382 6.342 1.00 0.00 N ATOM 457 CA ASP A 413 -1.172 -0.845 6.174 1.00 0.00 C ATOM 458 C ASP A 413 -1.933 0.064 5.225 1.00 0.00 C ATOM 459 O ASP A 413 -1.853 1.292 5.314 1.00 0.00 O ATOM 460 CB ASP A 413 -1.904 -0.932 7.521 1.00 0.00 C ATOM 461 CG ASP A 413 -1.918 0.382 8.273 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.866 0.774 8.828 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.986 1.031 8.320 1.00 0.00 O ATOM 0 H ASP A 413 0.344 0.201 7.166 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.129 -1.846 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.930 -1.257 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.427 -1.693 8.139 1.00 0.00 H new ATOM 468 N VAL A 414 -2.657 -0.550 4.309 1.00 0.00 N ATOM 469 CA VAL A 414 -3.454 0.186 3.346 1.00 0.00 C ATOM 470 C VAL A 414 -4.827 0.477 3.919 1.00 0.00 C ATOM 471 O VAL A 414 -5.516 -0.421 4.405 1.00 0.00 O ATOM 472 CB VAL A 414 -3.601 -0.576 2.011 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.375 0.255 1.000 1.00 0.00 C ATOM 474 CG2 VAL A 414 -2.237 -0.949 1.457 1.00 0.00 C ATOM 0 H VAL A 414 -2.710 -1.564 4.211 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.932 1.121 3.141 1.00 0.00 H new ATOM 0 HB VAL A 414 -4.160 -1.492 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.467 -0.300 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.368 0.473 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.845 1.189 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.361 -1.485 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.654 -0.044 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.716 -1.586 2.172 1.00 0.00 H new ATOM 484 N ALA A 415 -5.215 1.738 3.877 1.00 0.00 N ATOM 485 CA ALA A 415 -6.491 2.146 4.418 1.00 0.00 C ATOM 486 C ALA A 415 -7.531 2.256 3.314 1.00 0.00 C ATOM 487 O ALA A 415 -7.791 3.338 2.792 1.00 0.00 O ATOM 488 CB ALA A 415 -6.355 3.463 5.167 1.00 0.00 C ATOM 0 H ALA A 415 -4.663 2.495 3.473 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.826 1.385 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.325 3.755 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.645 3.344 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.997 4.234 4.485 1.00 0.00 H new ATOM 494 N CYS A 416 -8.103 1.128 2.943 1.00 0.00 N ATOM 495 CA CYS A 416 -9.138 1.102 1.924 1.00 0.00 C ATOM 496 C CYS A 416 -10.452 1.622 2.487 1.00 0.00 C ATOM 497 O CYS A 416 -10.749 1.436 3.667 1.00 0.00 O ATOM 498 CB CYS A 416 -9.332 -0.319 1.403 1.00 0.00 C ATOM 499 SG CYS A 416 -7.812 -1.088 0.759 1.00 0.00 S ATOM 0 H CYS A 416 -7.869 0.214 3.332 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.824 1.745 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.727 -0.939 2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.083 -0.306 0.613 1.00 0.00 H new ATOM 504 N HIS A 417 -11.232 2.285 1.641 1.00 0.00 N ATOM 505 CA HIS A 417 -12.551 2.761 2.039 1.00 0.00 C ATOM 506 C HIS A 417 -13.488 1.575 2.249 1.00 0.00 C ATOM 507 O HIS A 417 -13.199 0.462 1.804 1.00 0.00 O ATOM 508 CB HIS A 417 -13.142 3.707 0.988 1.00 0.00 C ATOM 509 CG HIS A 417 -12.545 5.084 0.963 1.00 0.00 C ATOM 510 ND1 HIS A 417 -13.309 6.226 0.869 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.256 5.502 0.996 1.00 0.00 C ATOM 512 CE1 HIS A 417 -12.521 7.282 0.841 1.00 0.00 C ATOM 513 NE2 HIS A 417 -11.272 6.871 0.917 1.00 0.00 N ATOM 0 H HIS A 417 -10.975 2.504 0.679 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.443 3.314 2.972 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.016 3.256 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.214 3.796 1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -10.380 4.874 1.071 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.844 8.310 0.768 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.449 7.474 0.917 1.00 0.00 H new ATOM 522 N PRO A 418 -14.622 1.804 2.920 1.00 0.00 N ATOM 523 CA PRO A 418 -15.592 0.754 3.228 1.00 0.00 C ATOM 524 C PRO A 418 -16.086 0.047 1.971 1.00 0.00 C ATOM 525 O PRO A 418 -16.598 0.682 1.046 1.00 0.00 O ATOM 526 CB PRO A 418 -16.736 1.512 3.909 1.00 0.00 C ATOM 527 CG PRO A 418 -16.108 2.756 4.426 1.00 0.00 C ATOM 528 CD PRO A 418 -15.061 3.112 3.421 1.00 0.00 C ATOM 0 HA PRO A 418 -15.164 -0.033 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.537 1.736 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.175 0.925 4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.843 3.555 4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.670 2.596 5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.464 3.735 2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.239 3.667 3.874 1.00 0.00 H new ATOM 536 N GLY A 419 -15.915 -1.266 1.943 1.00 0.00 N ATOM 537 CA GLY A 419 -16.303 -2.043 0.785 1.00 0.00 C ATOM 538 C GLY A 419 -15.110 -2.466 -0.047 1.00 0.00 C ATOM 539 O GLY A 419 -15.210 -3.366 -0.881 1.00 0.00 O ATOM 0 H GLY A 419 -15.512 -1.810 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.849 -2.928 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.984 -1.457 0.168 1.00 0.00 H new ATOM 543 N TYR A 420 -13.974 -1.823 0.180 1.00 0.00 N ATOM 544 CA TYR A 420 -12.764 -2.117 -0.573 1.00 0.00 C ATOM 545 C TYR A 420 -11.742 -2.834 0.297 1.00 0.00 C ATOM 546 O TYR A 420 -11.688 -2.617 1.511 1.00 0.00 O ATOM 547 CB TYR A 420 -12.154 -0.825 -1.122 1.00 0.00 C ATOM 548 CG TYR A 420 -13.077 -0.059 -2.039 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.268 -0.466 -3.349 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.758 1.069 -1.596 1.00 0.00 C ATOM 551 CE1 TYR A 420 -14.110 0.225 -4.194 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.604 1.767 -2.437 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.776 1.340 -3.735 1.00 0.00 C ATOM 554 OH TYR A 420 -15.610 2.030 -4.582 1.00 0.00 O ATOM 0 H TYR A 420 -13.865 -1.092 0.882 1.00 0.00 H new ATOM 0 HA TYR A 420 -13.035 -2.770 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.872 -0.184 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.239 -1.067 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.749 -1.339 -3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.624 1.405 -0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.247 -0.107 -5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.127 2.641 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.004 2.790 -4.105 1.00 0.00 H new ATOM 564 N ALA A 421 -10.937 -3.684 -0.329 1.00 0.00 N ATOM 565 CA ALA A 421 -9.886 -4.407 0.373 1.00 0.00 C ATOM 566 C ALA A 421 -8.779 -4.795 -0.597 1.00 0.00 C ATOM 567 O ALA A 421 -8.975 -4.772 -1.813 1.00 0.00 O ATOM 568 CB ALA A 421 -10.455 -5.645 1.051 1.00 0.00 C ATOM 0 H ALA A 421 -10.993 -3.890 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.467 -3.756 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.657 -6.174 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.221 -5.348 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.896 -6.301 0.300 1.00 0.00 H new ATOM 574 N LEU A 422 -7.616 -5.142 -0.065 1.00 0.00 N ATOM 575 CA LEU A 422 -6.500 -5.564 -0.896 1.00 0.00 C ATOM 576 C LEU A 422 -6.760 -6.934 -1.503 1.00 0.00 C ATOM 577 O LEU A 422 -7.418 -7.777 -0.891 1.00 0.00 O ATOM 578 CB LEU A 422 -5.194 -5.592 -0.103 1.00 0.00 C ATOM 579 CG LEU A 422 -4.566 -4.227 0.177 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.473 -4.344 1.229 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.998 -3.633 -1.102 1.00 0.00 C ATOM 0 H LEU A 422 -7.422 -5.139 0.936 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.403 -4.833 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.378 -6.090 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.472 -6.200 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.344 -3.565 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.039 -3.361 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.899 -4.732 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.697 -5.022 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.554 -2.661 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.235 -4.299 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.797 -3.513 -1.833 1.00 0.00 H new ATOM 593 N PRO A 423 -6.256 -7.144 -2.719 1.00 0.00 N ATOM 594 CA PRO A 423 -6.488 -8.353 -3.517 1.00 0.00 C ATOM 595 C PRO A 423 -6.398 -9.644 -2.728 1.00 0.00 C ATOM 596 O PRO A 423 -7.318 -10.464 -2.729 1.00 0.00 O ATOM 597 CB PRO A 423 -5.376 -8.268 -4.553 1.00 0.00 C ATOM 598 CG PRO A 423 -5.247 -6.805 -4.785 1.00 0.00 C ATOM 599 CD PRO A 423 -5.409 -6.179 -3.434 1.00 0.00 C ATOM 0 HA PRO A 423 -7.498 -8.383 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.447 -8.702 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.635 -8.801 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.278 -6.559 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.008 -6.447 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.449 -6.039 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.881 -5.198 -3.498 1.00 0.00 H new ATOM 607 N LYS A 424 -5.303 -9.788 -2.032 1.00 0.00 N ATOM 608 CA LYS A 424 -5.001 -11.009 -1.300 1.00 0.00 C ATOM 609 C LYS A 424 -5.548 -10.966 0.123 1.00 0.00 C ATOM 610 O LYS A 424 -4.995 -11.590 1.031 1.00 0.00 O ATOM 611 CB LYS A 424 -3.495 -11.248 -1.299 1.00 0.00 C ATOM 612 CG LYS A 424 -2.908 -11.368 -2.698 1.00 0.00 C ATOM 613 CD LYS A 424 -3.530 -12.526 -3.465 1.00 0.00 C ATOM 614 CE LYS A 424 -2.912 -12.687 -4.844 1.00 0.00 C ATOM 615 NZ LYS A 424 -1.458 -12.989 -4.769 1.00 0.00 N ATOM 0 H LYS A 424 -4.587 -9.066 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.494 -11.840 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.004 -10.429 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.278 -12.159 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.072 -10.439 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -1.830 -11.512 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.400 -13.448 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -4.603 -12.361 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.422 -13.488 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -3.064 -11.773 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.124 -13.322 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -0.938 -12.129 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -1.293 -13.728 -4.056 1.00 0.00 H new ATOM 629 N ALA A 425 -6.637 -10.224 0.300 1.00 0.00 N ATOM 630 CA ALA A 425 -7.325 -10.117 1.587 1.00 0.00 C ATOM 631 C ALA A 425 -6.384 -9.624 2.682 1.00 0.00 C ATOM 632 O ALA A 425 -6.488 -10.027 3.840 1.00 0.00 O ATOM 633 CB ALA A 425 -7.954 -11.452 1.972 1.00 0.00 C ATOM 0 H ALA A 425 -7.070 -9.678 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.121 -9.380 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.461 -11.352 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.675 -11.748 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.176 -12.212 2.050 1.00 0.00 H new ATOM 639 N GLN A 426 -5.462 -8.755 2.304 1.00 0.00 N ATOM 640 CA GLN A 426 -4.504 -8.198 3.238 1.00 0.00 C ATOM 641 C GLN A 426 -4.913 -6.788 3.642 1.00 0.00 C ATOM 642 O GLN A 426 -5.780 -6.180 3.014 1.00 0.00 O ATOM 643 CB GLN A 426 -3.115 -8.171 2.601 1.00 0.00 C ATOM 644 CG GLN A 426 -2.444 -9.536 2.510 1.00 0.00 C ATOM 645 CD GLN A 426 -1.960 -10.042 3.859 1.00 0.00 C ATOM 646 OE1 GLN A 426 -2.537 -9.735 4.903 1.00 0.00 O ATOM 647 NE2 GLN A 426 -0.875 -10.799 3.850 1.00 0.00 N ATOM 0 H GLN A 426 -5.358 -8.419 1.347 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.481 -8.825 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.195 -7.750 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.476 -7.502 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.147 -10.254 2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.599 -9.476 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.424 -11.033 2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.490 -11.149 4.727 1.00 0.00 H new ATOM 656 N THR A 427 -4.283 -6.277 4.687 1.00 0.00 N ATOM 657 CA THR A 427 -4.526 -4.921 5.144 1.00 0.00 C ATOM 658 C THR A 427 -3.231 -4.143 5.111 1.00 0.00 C ATOM 659 O THR A 427 -3.174 -2.983 5.504 1.00 0.00 O ATOM 660 CB THR A 427 -5.093 -4.898 6.574 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.451 -5.906 7.370 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.598 -5.119 6.571 1.00 0.00 C ATOM 0 H THR A 427 -3.593 -6.788 5.238 1.00 0.00 H new ATOM 0 HA THR A 427 -5.261 -4.468 4.479 1.00 0.00 H new ATOM 0 HB THR A 427 -4.895 -3.916 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.815 -5.885 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.971 -5.098 7.595 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.080 -4.331 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.823 -6.087 6.123 1.00 0.00 H new ATOM 670 N THR A 428 -2.197 -4.796 4.615 1.00 0.00 N ATOM 671 CA THR A 428 -0.860 -4.255 4.650 1.00 0.00 C ATOM 672 C THR A 428 -0.133 -4.525 3.332 1.00 0.00 C ATOM 673 O THR A 428 -0.482 -5.448 2.595 1.00 0.00 O ATOM 674 CB THR A 428 -0.065 -4.895 5.801 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.912 -5.771 6.559 1.00 0.00 O ATOM 676 CG2 THR A 428 0.528 -3.847 6.729 1.00 0.00 C ATOM 0 H THR A 428 -2.265 -5.715 4.178 1.00 0.00 H new ATOM 0 HA THR A 428 -0.933 -3.178 4.803 1.00 0.00 H new ATOM 0 HB THR A 428 0.754 -5.460 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.396 -6.175 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.081 -4.340 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.202 -3.202 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.274 -3.247 7.160 1.00 0.00 H new ATOM 684 N VAL A 429 0.864 -3.710 3.050 1.00 0.00 N ATOM 685 CA VAL A 429 1.708 -3.880 1.886 1.00 0.00 C ATOM 686 C VAL A 429 3.129 -3.515 2.246 1.00 0.00 C ATOM 687 O VAL A 429 3.366 -2.529 2.942 1.00 0.00 O ATOM 688 CB VAL A 429 1.212 -3.030 0.698 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.056 -1.569 1.085 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.131 -3.158 -0.482 1.00 0.00 C ATOM 0 H VAL A 429 1.112 -2.906 3.627 1.00 0.00 H new ATOM 0 HA VAL A 429 1.667 -4.924 1.574 1.00 0.00 H new ATOM 0 HB VAL A 429 0.231 -3.414 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.705 -1.000 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.333 -1.483 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.018 -1.175 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.755 -2.548 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.129 -2.818 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.177 -4.201 -0.796 1.00 0.00 H new ATOM 700 N THR A 430 4.076 -4.327 1.817 1.00 0.00 N ATOM 701 CA THR A 430 5.438 -4.112 2.223 1.00 0.00 C ATOM 702 C THR A 430 6.387 -4.011 1.043 1.00 0.00 C ATOM 703 O THR A 430 6.059 -4.395 -0.078 1.00 0.00 O ATOM 704 CB THR A 430 5.935 -5.218 3.168 1.00 0.00 C ATOM 705 OG1 THR A 430 6.406 -6.344 2.411 1.00 0.00 O ATOM 706 CG2 THR A 430 4.835 -5.690 4.106 1.00 0.00 C ATOM 0 H THR A 430 3.926 -5.125 1.200 1.00 0.00 H new ATOM 0 HA THR A 430 5.437 -3.159 2.752 1.00 0.00 H new ATOM 0 HB THR A 430 6.746 -4.795 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.721 -7.041 3.023 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.224 -6.472 4.759 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.488 -4.852 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.004 -6.085 3.522 1.00 0.00 H new ATOM 714 N CYS A 431 7.569 -3.491 1.325 1.00 0.00 N ATOM 715 CA CYS A 431 8.596 -3.271 0.328 1.00 0.00 C ATOM 716 C CYS A 431 9.576 -4.443 0.328 1.00 0.00 C ATOM 717 O CYS A 431 10.494 -4.493 1.151 1.00 0.00 O ATOM 718 CB CYS A 431 9.317 -1.967 0.664 1.00 0.00 C ATOM 719 SG CYS A 431 10.421 -1.342 -0.623 1.00 0.00 S ATOM 0 H CYS A 431 7.843 -3.207 2.265 1.00 0.00 H new ATOM 0 HA CYS A 431 8.154 -3.200 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.570 -1.203 0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.896 -2.115 1.576 1.00 0.00 H new ATOM 724 N MET A 432 9.370 -5.384 -0.586 1.00 0.00 N ATOM 725 CA MET A 432 10.171 -6.610 -0.629 1.00 0.00 C ATOM 726 C MET A 432 11.532 -6.367 -1.274 1.00 0.00 C ATOM 727 O MET A 432 12.520 -7.004 -0.921 1.00 0.00 O ATOM 728 CB MET A 432 9.428 -7.704 -1.393 1.00 0.00 C ATOM 729 CG MET A 432 9.254 -7.402 -2.868 1.00 0.00 C ATOM 730 SD MET A 432 8.466 -8.744 -3.779 1.00 0.00 S ATOM 731 CE MET A 432 9.652 -10.069 -3.544 1.00 0.00 C ATOM 0 H MET A 432 8.654 -5.325 -1.310 1.00 0.00 H new ATOM 0 HA MET A 432 10.333 -6.932 0.400 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.970 -8.644 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.446 -7.848 -0.942 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.657 -6.497 -2.979 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.230 -7.197 -3.308 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.516 -10.821 -4.321 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.663 -9.666 -3.601 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.498 -10.526 -2.566 1.00 0.00 H new ATOM 741 N GLU A 433 11.554 -5.450 -2.226 1.00 0.00 N ATOM 742 CA GLU A 433 12.755 -5.113 -2.976 1.00 0.00 C ATOM 743 C GLU A 433 12.427 -3.965 -3.902 1.00 0.00 C ATOM 744 O GLU A 433 12.737 -2.807 -3.624 1.00 0.00 O ATOM 745 CB GLU A 433 13.237 -6.311 -3.817 1.00 0.00 C ATOM 746 CG GLU A 433 14.621 -6.168 -4.469 1.00 0.00 C ATOM 747 CD GLU A 433 15.002 -4.765 -4.916 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.484 -3.982 -4.075 1.00 0.00 O ATOM 749 OE2 GLU A 433 14.839 -4.449 -6.114 1.00 0.00 O ATOM 0 H GLU A 433 10.732 -4.913 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 433 13.547 -4.843 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.248 -7.195 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.505 -6.494 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 433 15.372 -6.520 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.663 -6.829 -5.335 1.00 0.00 H new ATOM 756 N ASN A 434 11.745 -4.306 -4.984 1.00 0.00 N ATOM 757 CA ASN A 434 11.508 -3.377 -6.062 1.00 0.00 C ATOM 758 C ASN A 434 10.296 -2.507 -5.731 1.00 0.00 C ATOM 759 O ASN A 434 9.676 -1.906 -6.606 1.00 0.00 O ATOM 760 CB ASN A 434 11.277 -4.150 -7.367 1.00 0.00 C ATOM 761 CG ASN A 434 11.359 -3.275 -8.605 1.00 0.00 C ATOM 762 OD1 ASN A 434 12.110 -2.300 -8.651 1.00 0.00 O ATOM 763 ND2 ASN A 434 10.588 -3.621 -9.621 1.00 0.00 N ATOM 0 H ASN A 434 11.344 -5.232 -5.133 1.00 0.00 H new ATOM 0 HA ASN A 434 12.377 -2.732 -6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.016 -4.948 -7.445 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.297 -4.626 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.602 -3.073 -10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 434 9.979 -4.436 -9.545 1.00 0.00 H new ATOM 770 N GLY A 435 9.967 -2.451 -4.448 1.00 0.00 N ATOM 771 CA GLY A 435 8.793 -1.736 -4.009 1.00 0.00 C ATOM 772 C GLY A 435 7.803 -2.632 -3.285 1.00 0.00 C ATOM 773 O GLY A 435 8.169 -3.691 -2.761 1.00 0.00 O ATOM 0 H GLY A 435 10.500 -2.894 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.093 -0.923 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.304 -1.282 -4.871 1.00 0.00 H new ATOM 777 N TRP A 436 6.556 -2.196 -3.274 1.00 0.00 N ATOM 778 CA TRP A 436 5.464 -2.890 -2.595 1.00 0.00 C ATOM 779 C TRP A 436 5.169 -4.245 -3.246 1.00 0.00 C ATOM 780 O TRP A 436 4.948 -4.334 -4.454 1.00 0.00 O ATOM 781 CB TRP A 436 4.227 -1.999 -2.644 1.00 0.00 C ATOM 782 CG TRP A 436 4.495 -0.616 -2.148 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.421 0.537 -2.870 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.904 -0.244 -0.830 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.749 1.609 -2.079 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.050 1.156 -0.822 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.156 -0.958 0.344 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.436 1.856 0.317 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.543 -0.264 1.474 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.678 1.131 1.454 1.00 0.00 C ATOM 0 H TRP A 436 6.264 -1.338 -3.742 1.00 0.00 H new ATOM 0 HA TRP A 436 5.751 -3.086 -1.562 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.861 -1.949 -3.669 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.436 -2.449 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.145 0.598 -3.912 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.766 2.584 -2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.050 -2.033 0.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.541 2.931 0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.745 -0.805 2.387 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.979 1.646 2.354 1.00 0.00 H new ATOM 801 N SER A 437 5.155 -5.288 -2.423 1.00 0.00 N ATOM 802 CA SER A 437 4.974 -6.656 -2.894 1.00 0.00 C ATOM 803 C SER A 437 3.493 -7.041 -3.013 1.00 0.00 C ATOM 804 O SER A 437 3.062 -7.475 -4.083 1.00 0.00 O ATOM 805 CB SER A 437 5.721 -7.627 -1.982 1.00 0.00 C ATOM 806 OG SER A 437 5.602 -8.964 -2.432 1.00 0.00 O ATOM 0 H SER A 437 5.269 -5.209 -1.412 1.00 0.00 H new ATOM 0 HA SER A 437 5.393 -6.718 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.774 -7.350 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.330 -7.548 -0.968 1.00 0.00 H new ATOM 0 HG SER A 437 6.407 -9.214 -2.931 1.00 0.00 H new ATOM 812 N PRO A 438 2.676 -6.893 -1.936 1.00 0.00 N ATOM 813 CA PRO A 438 1.237 -7.185 -2.005 1.00 0.00 C ATOM 814 C PRO A 438 0.546 -6.352 -3.072 1.00 0.00 C ATOM 815 O PRO A 438 -0.529 -6.710 -3.552 1.00 0.00 O ATOM 816 CB PRO A 438 0.716 -6.782 -0.626 1.00 0.00 C ATOM 817 CG PRO A 438 1.895 -6.839 0.267 1.00 0.00 C ATOM 818 CD PRO A 438 3.064 -6.450 -0.583 1.00 0.00 C ATOM 0 HA PRO A 438 1.048 -8.228 -2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.285 -5.781 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.067 -7.460 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.781 -6.159 1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 438 2.026 -7.839 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.243 -5.375 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.981 -6.937 -0.250 1.00 0.00 H new ATOM 826 N THR A 439 1.194 -5.245 -3.432 1.00 0.00 N ATOM 827 CA THR A 439 0.670 -4.302 -4.403 1.00 0.00 C ATOM 828 C THR A 439 -0.526 -3.542 -3.819 1.00 0.00 C ATOM 829 O THR A 439 -1.626 -4.076 -3.703 1.00 0.00 O ATOM 830 CB THR A 439 0.277 -5.004 -5.719 1.00 0.00 C ATOM 831 OG1 THR A 439 1.394 -5.768 -6.208 1.00 0.00 O ATOM 832 CG2 THR A 439 -0.144 -3.991 -6.774 1.00 0.00 C ATOM 0 H THR A 439 2.103 -4.981 -3.052 1.00 0.00 H new ATOM 0 HA THR A 439 1.460 -3.588 -4.634 1.00 0.00 H new ATOM 0 HB THR A 439 -0.567 -5.664 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.144 -6.215 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.416 -4.513 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 439 -1.001 -3.423 -6.412 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.683 -3.310 -6.975 1.00 0.00 H new ATOM 840 N PRO A 440 -0.306 -2.282 -3.422 1.00 0.00 N ATOM 841 CA PRO A 440 -1.335 -1.475 -2.779 1.00 0.00 C ATOM 842 C PRO A 440 -2.423 -1.037 -3.755 1.00 0.00 C ATOM 843 O PRO A 440 -2.304 -0.006 -4.425 1.00 0.00 O ATOM 844 CB PRO A 440 -0.575 -0.268 -2.223 1.00 0.00 C ATOM 845 CG PRO A 440 0.711 -0.202 -2.981 1.00 0.00 C ATOM 846 CD PRO A 440 0.962 -1.558 -3.583 1.00 0.00 C ATOM 0 HA PRO A 440 -1.862 -2.036 -2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.151 0.648 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.392 -0.381 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.656 0.558 -3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.530 0.079 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.241 -1.479 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.778 -2.072 -3.074 1.00 0.00 H new ATOM 854 N ARG A 441 -3.472 -1.845 -3.840 1.00 0.00 N ATOM 855 CA ARG A 441 -4.624 -1.556 -4.683 1.00 0.00 C ATOM 856 C ARG A 441 -5.887 -2.037 -3.984 1.00 0.00 C ATOM 857 O ARG A 441 -6.026 -3.223 -3.696 1.00 0.00 O ATOM 858 CB ARG A 441 -4.509 -2.262 -6.040 1.00 0.00 C ATOM 859 CG ARG A 441 -3.317 -1.831 -6.875 1.00 0.00 C ATOM 860 CD ARG A 441 -3.218 -2.646 -8.152 1.00 0.00 C ATOM 861 NE ARG A 441 -4.383 -2.468 -9.015 1.00 0.00 N ATOM 862 CZ ARG A 441 -4.996 -3.461 -9.655 1.00 0.00 C ATOM 863 NH1 ARG A 441 -4.624 -4.724 -9.458 1.00 0.00 N ATOM 864 NH2 ARG A 441 -6.000 -3.180 -10.471 1.00 0.00 N ATOM 0 H ARG A 441 -3.548 -2.722 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.664 -0.480 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.449 -3.337 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.420 -2.079 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.406 -0.773 -7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.402 -1.947 -6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.318 -2.357 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.113 -3.701 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.750 -1.524 -9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.864 -4.937 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.099 -5.479 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.295 -2.212 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.479 -3.931 -10.968 1.00 0.00 H new ATOM 878 N CYS A 442 -6.799 -1.129 -3.701 1.00 0.00 N ATOM 879 CA CYS A 442 -8.030 -1.500 -3.024 1.00 0.00 C ATOM 880 C CYS A 442 -9.115 -1.852 -4.033 1.00 0.00 C ATOM 881 O CYS A 442 -9.698 -0.977 -4.671 1.00 0.00 O ATOM 882 CB CYS A 442 -8.505 -0.371 -2.111 1.00 0.00 C ATOM 883 SG CYS A 442 -7.312 0.091 -0.815 1.00 0.00 S ATOM 0 H CYS A 442 -6.715 -0.138 -3.926 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.827 -2.379 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.722 0.507 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.441 -0.670 -1.638 1.00 0.00 H new ATOM 888 N ILE A 443 -9.358 -3.141 -4.196 1.00 0.00 N ATOM 889 CA ILE A 443 -10.451 -3.608 -5.018 1.00 0.00 C ATOM 890 C ILE A 443 -11.663 -3.884 -4.151 1.00 0.00 C ATOM 891 O ILE A 443 -11.539 -4.321 -3.004 1.00 0.00 O ATOM 892 CB ILE A 443 -10.074 -4.872 -5.809 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.371 -5.896 -4.918 1.00 0.00 C ATOM 894 CG2 ILE A 443 -9.206 -4.512 -7.007 1.00 0.00 C ATOM 895 CD1 ILE A 443 -9.245 -7.257 -5.564 1.00 0.00 C ATOM 0 H ILE A 443 -8.807 -3.884 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.683 -2.824 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.995 -5.328 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.377 -5.527 -4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.922 -5.994 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.949 -5.418 -7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.753 -3.834 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -8.294 -4.025 -6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.737 -7.938 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -10.238 -7.645 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.669 -7.171 -6.485 1.00 0.00 H new ATOM 907 N ARG A 444 -12.832 -3.595 -4.689 1.00 0.00 N ATOM 908 CA ARG A 444 -14.058 -3.734 -3.964 1.00 0.00 C ATOM 909 C ARG A 444 -14.355 -5.189 -3.679 1.00 0.00 C ATOM 910 O ARG A 444 -14.493 -6.008 -4.588 1.00 0.00 O ATOM 911 CB ARG A 444 -15.176 -3.097 -4.763 1.00 0.00 C ATOM 912 CG ARG A 444 -16.430 -2.898 -3.957 1.00 0.00 C ATOM 913 CD ARG A 444 -17.604 -2.483 -4.825 1.00 0.00 C ATOM 914 NE ARG A 444 -18.086 -3.590 -5.643 1.00 0.00 N ATOM 915 CZ ARG A 444 -17.917 -3.677 -6.962 1.00 0.00 C ATOM 916 NH1 ARG A 444 -17.266 -2.723 -7.621 1.00 0.00 N ATOM 917 NH2 ARG A 444 -18.405 -4.722 -7.617 1.00 0.00 N ATOM 0 H ARG A 444 -12.947 -3.257 -5.644 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.969 -3.228 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.839 -2.134 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -15.401 -3.722 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.675 -3.822 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.255 -2.137 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -18.413 -2.118 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.306 -1.656 -5.470 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.585 -4.347 -5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -16.893 -1.919 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -17.140 -2.796 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -18.906 -5.452 -7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -18.279 -4.795 -8.627 1.00 0.00 H new ATOM 931 N VAL A 445 -14.442 -5.486 -2.402 1.00 0.00 N ATOM 932 CA VAL A 445 -14.659 -6.833 -1.943 1.00 0.00 C ATOM 933 C VAL A 445 -16.122 -7.015 -1.561 1.00 0.00 C ATOM 934 O VAL A 445 -16.602 -8.132 -1.359 1.00 0.00 O ATOM 935 CB VAL A 445 -13.737 -7.140 -0.742 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.199 -6.409 0.513 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.626 -8.640 -0.498 1.00 0.00 C ATOM 0 H VAL A 445 -14.364 -4.797 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.418 -7.531 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.742 -6.772 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.529 -6.646 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.187 -5.334 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.212 -6.723 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.970 -8.823 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.615 -9.049 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.213 -9.123 -1.384 1.00 0.00 H new ATOM 947 N LYS A 446 -16.824 -5.897 -1.485 1.00 0.00 N ATOM 948 CA LYS A 446 -18.230 -5.891 -1.143 1.00 0.00 C ATOM 949 C LYS A 446 -18.986 -5.024 -2.142 1.00 0.00 C ATOM 950 O LYS A 446 -19.121 -3.811 -1.896 1.00 0.00 O ATOM 951 CB LYS A 446 -18.420 -5.363 0.282 1.00 0.00 C ATOM 952 CG LYS A 446 -19.859 -5.405 0.770 1.00 0.00 C ATOM 953 CD LYS A 446 -19.989 -4.821 2.169 1.00 0.00 C ATOM 954 CE LYS A 446 -19.224 -5.638 3.200 1.00 0.00 C ATOM 955 NZ LYS A 446 -19.371 -5.078 4.570 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.407 -5.554 -3.194 1.00 0.00 O ATOM 0 H LYS A 446 -16.433 -4.971 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.622 -6.907 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.800 -5.948 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.061 -4.335 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -20.495 -4.848 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -20.215 -6.435 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.618 -3.796 2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -21.042 -4.779 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -19.584 -6.667 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -18.168 -5.666 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -18.835 -5.662 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -19.005 -4.105 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.376 -5.075 4.838 1.00 0.00 H new