USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 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 398 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 417 HIS : no HE2:sc= 0.333 K(o=0.33,f=-4.7!) USER MOD Single : A 388 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0506) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.6) USER MOD Single : A 399 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.29) USER MOD Single : A 400 GLN : amide:sc= 0.0678 K(o=0.068,f=-0.74) USER MOD Single : A 401 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.61) USER MOD Single : A 402 TYR OH : rot 82:sc= -0.216 USER MOD Single : A 405 LYS NZ :NH3+ 147:sc= -2.66! (180deg=-4.57!) USER MOD Single : A 408 GLN : amide:sc= -3.85! C(o=-3.8!,f=-2.1!) USER MOD Single : A 410 LYS NZ :NH3+ -168:sc= -0.0204 (180deg=-0.171) USER MOD Single : A 411 SER OG : rot 180:sc= -0.398 USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0288) USER MOD Single : A 426 GLN : amide:sc= -0.742 K(o=-0.74,f=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= 0.582 K(o=0.58,f=-0.21) USER MOD Single : A 437 SER OG : rot -103:sc= -4.91! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.371 -0.897 -1.816 1.00 0.00 N ATOM 21 CA ARG A 387 15.458 -0.048 -2.555 1.00 0.00 C ATOM 22 C ARG A 387 14.567 0.801 -1.668 1.00 0.00 C ATOM 23 O ARG A 387 14.204 0.413 -0.554 1.00 0.00 O ATOM 24 CB ARG A 387 14.572 -0.900 -3.437 1.00 0.00 C ATOM 25 CG ARG A 387 15.163 -1.215 -4.789 1.00 0.00 C ATOM 26 CD ARG A 387 16.418 -2.051 -4.715 1.00 0.00 C ATOM 27 NE ARG A 387 16.669 -2.710 -5.991 1.00 0.00 N ATOM 28 CZ ARG A 387 17.865 -3.104 -6.421 1.00 0.00 C ATOM 29 NH1 ARG A 387 18.967 -2.808 -5.738 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.956 -3.768 -7.561 1.00 0.00 N ATOM 0 HA ARG A 387 16.081 0.628 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.356 -1.835 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.620 -0.388 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 387 14.420 -1.741 -5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.387 -0.282 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 387 17.267 -1.420 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 387 16.319 -2.797 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 387 15.868 -2.882 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 387 18.902 -2.272 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 387 19.877 -3.117 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.115 -3.973 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 387 18.867 -4.075 -7.901 1.00 0.00 H new ATOM 44 N LYS A 388 14.194 1.942 -2.211 1.00 0.00 N ATOM 45 CA LYS A 388 13.310 2.877 -1.545 1.00 0.00 C ATOM 46 C LYS A 388 11.996 2.965 -2.309 1.00 0.00 C ATOM 47 O LYS A 388 11.901 3.683 -3.304 1.00 0.00 O ATOM 48 CB LYS A 388 13.946 4.271 -1.465 1.00 0.00 C ATOM 49 CG LYS A 388 15.146 4.384 -0.529 1.00 0.00 C ATOM 50 CD LYS A 388 16.352 3.615 -1.045 1.00 0.00 C ATOM 51 CE LYS A 388 17.617 3.981 -0.286 1.00 0.00 C ATOM 52 NZ LYS A 388 17.490 3.733 1.173 1.00 0.00 N ATOM 0 H LYS A 388 14.498 2.249 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 388 13.130 2.519 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.257 4.569 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.185 4.982 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.412 5.434 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.872 4.008 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.168 2.545 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.490 3.824 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 388 18.454 3.404 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.848 5.033 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.411 3.884 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.790 4.388 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.180 2.753 1.333 1.00 0.00 H new ATOM 66 N CYS A 389 11.005 2.208 -1.870 1.00 0.00 N ATOM 67 CA CYS A 389 9.693 2.222 -2.495 1.00 0.00 C ATOM 68 C CYS A 389 8.988 3.550 -2.259 1.00 0.00 C ATOM 69 O CYS A 389 9.024 4.099 -1.156 1.00 0.00 O ATOM 70 CB CYS A 389 8.843 1.084 -1.937 1.00 0.00 C ATOM 71 SG CYS A 389 8.815 1.026 -0.127 1.00 0.00 S ATOM 0 H CYS A 389 11.085 1.571 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 389 9.826 2.090 -3.569 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.822 1.189 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 389 9.224 0.136 -2.317 1.00 0.00 H new ATOM 76 N TYR A 390 8.363 4.071 -3.299 1.00 0.00 N ATOM 77 CA TYR A 390 7.556 5.261 -3.174 1.00 0.00 C ATOM 78 C TYR A 390 6.090 4.870 -3.087 1.00 0.00 C ATOM 79 O TYR A 390 5.602 4.066 -3.880 1.00 0.00 O ATOM 80 CB TYR A 390 7.785 6.207 -4.355 1.00 0.00 C ATOM 81 CG TYR A 390 6.954 7.466 -4.272 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.113 8.350 -3.213 1.00 0.00 C ATOM 83 CD2 TYR A 390 6.001 7.764 -5.238 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.351 9.496 -3.122 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.234 8.910 -5.152 1.00 0.00 C ATOM 86 CZ TYR A 390 5.414 9.771 -4.091 1.00 0.00 C ATOM 87 OH TYR A 390 4.655 10.915 -3.997 1.00 0.00 O ATOM 0 H TYR A 390 8.402 3.683 -4.242 1.00 0.00 H new ATOM 0 HA TYR A 390 7.846 5.787 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.840 6.477 -4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.551 5.684 -5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.845 8.137 -2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.857 7.089 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.489 10.175 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.498 9.130 -5.911 1.00 0.00 H new ATOM 0 HH TYR A 390 4.041 10.964 -4.759 1.00 0.00 H new ATOM 97 N PHE A 391 5.401 5.419 -2.106 1.00 0.00 N ATOM 98 CA PHE A 391 3.988 5.142 -1.911 1.00 0.00 C ATOM 99 C PHE A 391 3.165 6.198 -2.655 1.00 0.00 C ATOM 100 O PHE A 391 3.056 7.342 -2.211 1.00 0.00 O ATOM 101 CB PHE A 391 3.686 5.141 -0.406 1.00 0.00 C ATOM 102 CG PHE A 391 2.496 4.317 -0.001 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.182 3.137 -0.660 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.702 4.715 1.059 1.00 0.00 C ATOM 105 CE1 PHE A 391 1.099 2.377 -0.269 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.616 3.960 1.453 1.00 0.00 C ATOM 107 CZ PHE A 391 0.315 2.790 0.788 1.00 0.00 C ATOM 0 H PHE A 391 5.800 6.065 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 391 3.723 4.164 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.563 4.772 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.525 6.169 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.792 2.810 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 391 1.935 5.629 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.865 1.460 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.003 4.285 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.534 2.197 1.095 1.00 0.00 H new ATOM 117 N PRO A 392 2.588 5.805 -3.815 1.00 0.00 N ATOM 118 CA PRO A 392 1.942 6.737 -4.755 1.00 0.00 C ATOM 119 C PRO A 392 0.645 7.361 -4.242 1.00 0.00 C ATOM 120 O PRO A 392 0.682 8.407 -3.595 1.00 0.00 O ATOM 121 CB PRO A 392 1.684 5.884 -6.000 1.00 0.00 C ATOM 122 CG PRO A 392 1.657 4.471 -5.515 1.00 0.00 C ATOM 123 CD PRO A 392 2.544 4.411 -4.301 1.00 0.00 C ATOM 0 HA PRO A 392 2.582 7.601 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.740 6.155 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.467 6.029 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.640 4.167 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 392 2.013 3.790 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 392 2.139 3.738 -3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.540 4.045 -4.553 1.00 0.00 H new ATOM 131 N TYR A 393 -0.482 6.698 -4.524 1.00 0.00 N ATOM 132 CA TYR A 393 -1.820 7.148 -4.110 1.00 0.00 C ATOM 133 C TYR A 393 -2.901 6.347 -4.845 1.00 0.00 C ATOM 134 O TYR A 393 -2.839 6.200 -6.065 1.00 0.00 O ATOM 135 CB TYR A 393 -1.953 8.650 -4.388 1.00 0.00 C ATOM 136 CG TYR A 393 -3.326 9.143 -4.803 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.376 9.236 -3.893 1.00 0.00 C ATOM 138 CD2 TYR A 393 -3.562 9.533 -6.117 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.622 9.697 -4.286 1.00 0.00 C ATOM 140 CE2 TYR A 393 -4.800 9.994 -6.514 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.827 10.076 -5.599 1.00 0.00 C ATOM 142 OH TYR A 393 -7.064 10.526 -6.003 1.00 0.00 O ATOM 0 H TYR A 393 -0.493 5.825 -5.051 1.00 0.00 H new ATOM 0 HA TYR A 393 -1.953 6.977 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.653 9.191 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -1.244 8.916 -5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.217 8.944 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -2.762 9.474 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.428 9.760 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -4.964 10.290 -7.540 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.035 10.752 -6.956 1.00 0.00 H new ATOM 152 N LEU A 394 -3.863 5.785 -4.097 1.00 0.00 N ATOM 153 CA LEU A 394 -5.016 5.114 -4.721 1.00 0.00 C ATOM 154 C LEU A 394 -5.976 6.146 -5.316 1.00 0.00 C ATOM 155 O LEU A 394 -5.568 7.041 -6.047 1.00 0.00 O ATOM 156 CB LEU A 394 -5.797 4.224 -3.725 1.00 0.00 C ATOM 157 CG LEU A 394 -5.052 3.026 -3.129 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.999 2.494 -4.092 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.451 3.392 -1.784 1.00 0.00 C ATOM 0 H LEU A 394 -3.868 5.780 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.612 4.473 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -6.137 4.854 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.688 3.851 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 394 -5.769 2.221 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -3.488 1.644 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.479 2.177 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.275 3.279 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.925 2.530 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -3.751 4.218 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.245 3.692 -1.100 1.00 0.00 H new ATOM 171 N GLU A 395 -7.259 5.995 -5.023 1.00 0.00 N ATOM 172 CA GLU A 395 -8.252 7.008 -5.347 1.00 0.00 C ATOM 173 C GLU A 395 -9.436 6.854 -4.399 1.00 0.00 C ATOM 174 O GLU A 395 -9.974 7.833 -3.882 1.00 0.00 O ATOM 175 CB GLU A 395 -8.690 6.906 -6.819 1.00 0.00 C ATOM 176 CG GLU A 395 -9.792 5.904 -7.090 1.00 0.00 C ATOM 177 CD GLU A 395 -10.165 5.844 -8.551 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.508 5.094 -9.299 1.00 0.00 O ATOM 179 OE2 GLU A 395 -11.111 6.542 -8.956 1.00 0.00 O ATOM 0 H GLU A 395 -7.640 5.172 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.817 7.999 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.023 7.889 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -7.822 6.642 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.472 4.916 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.672 6.167 -6.503 1.00 0.00 H new ATOM 186 N ASN A 396 -9.801 5.600 -4.151 1.00 0.00 N ATOM 187 CA ASN A 396 -10.841 5.261 -3.191 1.00 0.00 C ATOM 188 C ASN A 396 -10.204 4.692 -1.931 1.00 0.00 C ATOM 189 O ASN A 396 -10.863 4.061 -1.106 1.00 0.00 O ATOM 190 CB ASN A 396 -11.826 4.250 -3.794 1.00 0.00 C ATOM 191 CG ASN A 396 -11.118 3.136 -4.539 1.00 0.00 C ATOM 192 OD1 ASN A 396 -10.725 2.130 -3.955 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.973 3.307 -5.845 1.00 0.00 N ATOM 0 H ASN A 396 -9.383 4.791 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.396 6.164 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.437 3.822 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.503 4.766 -4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.519 2.586 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.315 4.159 -6.289 1.00 0.00 H new ATOM 200 N GLY A 397 -8.913 4.933 -1.783 1.00 0.00 N ATOM 201 CA GLY A 397 -8.199 4.460 -0.618 1.00 0.00 C ATOM 202 C GLY A 397 -7.610 5.605 0.177 1.00 0.00 C ATOM 203 O GLY A 397 -7.123 6.578 -0.406 1.00 0.00 O ATOM 0 H GLY A 397 -8.344 5.451 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.875 3.886 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.402 3.784 -0.928 1.00 0.00 H new ATOM 207 N TYR A 398 -7.656 5.494 1.501 1.00 0.00 N ATOM 208 CA TYR A 398 -7.185 6.556 2.375 1.00 0.00 C ATOM 209 C TYR A 398 -5.685 6.754 2.237 1.00 0.00 C ATOM 210 O TYR A 398 -4.890 5.874 2.575 1.00 0.00 O ATOM 211 CB TYR A 398 -7.531 6.253 3.835 1.00 0.00 C ATOM 212 CG TYR A 398 -8.992 6.435 4.178 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.895 5.387 4.052 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.466 7.657 4.634 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.227 5.554 4.368 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.796 7.831 4.954 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.673 6.777 4.818 1.00 0.00 C ATOM 218 OH TYR A 398 -13.002 6.947 5.131 1.00 0.00 O ATOM 0 H TYR A 398 -8.017 4.675 1.991 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.688 7.475 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.242 5.226 4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.935 6.900 4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.548 4.426 3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.782 8.486 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.917 4.730 4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.148 8.788 5.309 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.152 7.867 5.434 1.00 0.00 H new ATOM 228 N ASN A 399 -5.304 7.913 1.733 1.00 0.00 N ATOM 229 CA ASN A 399 -3.901 8.269 1.602 1.00 0.00 C ATOM 230 C ASN A 399 -3.352 8.751 2.935 1.00 0.00 C ATOM 231 O ASN A 399 -3.040 9.926 3.118 1.00 0.00 O ATOM 232 CB ASN A 399 -3.693 9.317 0.499 1.00 0.00 C ATOM 233 CG ASN A 399 -4.846 10.295 0.370 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.832 11.377 0.956 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.862 9.914 -0.395 1.00 0.00 N ATOM 0 H ASN A 399 -5.951 8.630 1.405 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.347 7.377 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.777 9.872 0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.551 8.807 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.669 10.527 -0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.836 9.009 -0.864 1.00 0.00 H new ATOM 242 N GLN A 400 -3.254 7.813 3.868 1.00 0.00 N ATOM 243 CA GLN A 400 -2.784 8.088 5.215 1.00 0.00 C ATOM 244 C GLN A 400 -1.289 8.383 5.213 1.00 0.00 C ATOM 245 O GLN A 400 -0.858 9.490 5.528 1.00 0.00 O ATOM 246 CB GLN A 400 -3.058 6.879 6.107 1.00 0.00 C ATOM 247 CG GLN A 400 -4.492 6.383 6.041 1.00 0.00 C ATOM 248 CD GLN A 400 -4.657 5.015 6.666 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.507 3.994 5.995 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.966 4.983 7.951 1.00 0.00 N ATOM 0 H GLN A 400 -3.500 6.836 3.709 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.314 8.961 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.389 6.068 5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.820 7.138 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.143 7.093 6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.813 6.345 5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.081 5.854 8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.089 4.088 8.424 1.00 0.00 H new ATOM 259 N ASN A 401 -0.502 7.380 4.838 1.00 0.00 N ATOM 260 CA ASN A 401 0.952 7.499 4.852 1.00 0.00 C ATOM 261 C ASN A 401 1.470 7.582 3.434 1.00 0.00 C ATOM 262 O ASN A 401 2.507 7.013 3.096 1.00 0.00 O ATOM 263 CB ASN A 401 1.600 6.307 5.565 1.00 0.00 C ATOM 264 CG ASN A 401 0.996 6.033 6.929 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.379 6.643 7.928 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.062 5.097 6.986 1.00 0.00 N ATOM 0 H ASN A 401 -0.847 6.474 4.520 1.00 0.00 H new ATOM 0 HA ASN A 401 1.213 8.407 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.496 5.418 4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.668 6.495 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.367 4.859 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.228 4.614 6.136 1.00 0.00 H new ATOM 273 N TYR A 402 0.737 8.297 2.615 1.00 0.00 N ATOM 274 CA TYR A 402 1.011 8.369 1.212 1.00 0.00 C ATOM 275 C TYR A 402 1.909 9.552 0.878 1.00 0.00 C ATOM 276 O TYR A 402 1.863 10.586 1.544 1.00 0.00 O ATOM 277 CB TYR A 402 -0.317 8.446 0.497 1.00 0.00 C ATOM 278 CG TYR A 402 -0.668 7.148 -0.173 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.025 6.749 -1.288 1.00 0.00 C ATOM 280 CD2 TYR A 402 -1.669 6.314 0.310 1.00 0.00 C ATOM 281 CE1 TYR A 402 -0.247 5.564 -1.914 1.00 0.00 C ATOM 282 CE2 TYR A 402 -1.956 5.119 -0.319 1.00 0.00 C ATOM 283 CZ TYR A 402 -1.235 4.750 -1.435 1.00 0.00 C ATOM 284 OH TYR A 402 -1.492 3.558 -2.066 1.00 0.00 O ATOM 0 H TYR A 402 -0.070 8.846 2.911 1.00 0.00 H new ATOM 0 HA TYR A 402 1.558 7.485 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.098 8.710 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.283 9.241 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.804 7.386 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -2.229 6.604 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 402 0.319 5.271 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 402 -2.739 4.479 0.060 1.00 0.00 H new ATOM 0 HH TYR A 402 -0.854 2.881 -1.758 1.00 0.00 H new ATOM 294 N GLY A 403 2.731 9.385 -0.149 1.00 0.00 N ATOM 295 CA GLY A 403 3.715 10.396 -0.483 1.00 0.00 C ATOM 296 C GLY A 403 5.026 10.140 0.230 1.00 0.00 C ATOM 297 O GLY A 403 5.918 10.990 0.253 1.00 0.00 O ATOM 0 H GLY A 403 2.734 8.567 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.880 10.405 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.336 11.381 -0.210 1.00 0.00 H new ATOM 301 N ARG A 404 5.133 8.958 0.819 1.00 0.00 N ATOM 302 CA ARG A 404 6.308 8.585 1.584 1.00 0.00 C ATOM 303 C ARG A 404 7.193 7.617 0.828 1.00 0.00 C ATOM 304 O ARG A 404 6.772 6.983 -0.143 1.00 0.00 O ATOM 305 CB ARG A 404 5.898 7.944 2.901 1.00 0.00 C ATOM 306 CG ARG A 404 5.239 8.913 3.856 1.00 0.00 C ATOM 307 CD ARG A 404 4.898 8.252 5.177 1.00 0.00 C ATOM 308 NE ARG A 404 6.080 7.768 5.892 1.00 0.00 N ATOM 309 CZ ARG A 404 6.133 7.603 7.215 1.00 0.00 C ATOM 310 NH1 ARG A 404 5.094 7.939 7.972 1.00 0.00 N ATOM 311 NH2 ARG A 404 7.232 7.115 7.777 1.00 0.00 N ATOM 0 H ARG A 404 4.412 8.237 0.779 1.00 0.00 H new ATOM 0 HA ARG A 404 6.871 9.500 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.213 7.121 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.779 7.516 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.904 9.759 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.331 9.310 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 404 4.364 8.964 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.221 7.417 4.996 1.00 0.00 H new ATOM 0 HE ARG A 404 6.912 7.544 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.253 8.324 7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 404 5.137 7.812 8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 404 8.034 6.867 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 404 7.275 6.988 8.788 1.00 0.00 H new ATOM 325 N LYS A 405 8.423 7.512 1.294 1.00 0.00 N ATOM 326 CA LYS A 405 9.365 6.542 0.786 1.00 0.00 C ATOM 327 C LYS A 405 9.753 5.589 1.899 1.00 0.00 C ATOM 328 O LYS A 405 10.035 6.017 3.020 1.00 0.00 O ATOM 329 CB LYS A 405 10.605 7.239 0.250 1.00 0.00 C ATOM 330 CG LYS A 405 10.343 8.107 -0.967 1.00 0.00 C ATOM 331 CD LYS A 405 11.596 8.843 -1.424 1.00 0.00 C ATOM 332 CE LYS A 405 11.967 10.009 -0.505 1.00 0.00 C ATOM 333 NZ LYS A 405 12.358 9.571 0.866 1.00 0.00 N ATOM 0 H LYS A 405 8.795 8.101 2.039 1.00 0.00 H new ATOM 0 HA LYS A 405 8.900 5.986 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.033 7.857 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.351 6.487 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.970 7.486 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.562 8.831 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 405 12.429 8.141 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.443 9.218 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.790 10.567 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.120 10.692 -0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.083 10.215 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.524 9.587 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.741 8.605 0.826 1.00 0.00 H new ATOM 347 N PHE A 406 9.760 4.310 1.595 1.00 0.00 N ATOM 348 CA PHE A 406 10.085 3.292 2.579 1.00 0.00 C ATOM 349 C PHE A 406 11.233 2.435 2.076 1.00 0.00 C ATOM 350 O PHE A 406 11.557 2.448 0.889 1.00 0.00 O ATOM 351 CB PHE A 406 8.862 2.414 2.878 1.00 0.00 C ATOM 352 CG PHE A 406 7.714 3.157 3.509 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.748 3.770 2.727 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.601 3.233 4.887 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.694 4.447 3.308 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.547 3.909 5.473 1.00 0.00 C ATOM 357 CZ PHE A 406 5.594 4.516 4.682 1.00 0.00 C ATOM 0 H PHE A 406 9.543 3.945 0.668 1.00 0.00 H new ATOM 0 HA PHE A 406 10.385 3.787 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.519 1.958 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.164 1.602 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.820 3.718 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.344 2.759 5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.949 4.922 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.470 3.962 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.770 5.045 5.138 1.00 0.00 H new ATOM 367 N VAL A 407 11.856 1.708 2.981 1.00 0.00 N ATOM 368 CA VAL A 407 12.957 0.838 2.625 1.00 0.00 C ATOM 369 C VAL A 407 12.474 -0.599 2.522 1.00 0.00 C ATOM 370 O VAL A 407 11.533 -0.999 3.212 1.00 0.00 O ATOM 371 CB VAL A 407 14.109 0.947 3.645 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.691 2.352 3.625 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.633 0.587 5.044 1.00 0.00 C ATOM 0 H VAL A 407 11.617 1.703 3.973 1.00 0.00 H new ATOM 0 HA VAL A 407 13.340 1.155 1.655 1.00 0.00 H new ATOM 0 HB VAL A 407 14.888 0.238 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.504 2.420 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.073 2.573 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.914 3.071 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.464 0.672 5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.836 1.267 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.258 -0.436 5.049 1.00 0.00 H new ATOM 383 N GLN A 408 13.103 -1.357 1.635 1.00 0.00 N ATOM 384 CA GLN A 408 12.700 -2.733 1.364 1.00 0.00 C ATOM 385 C GLN A 408 12.723 -3.571 2.640 1.00 0.00 C ATOM 386 O GLN A 408 13.636 -3.453 3.460 1.00 0.00 O ATOM 387 CB GLN A 408 13.645 -3.360 0.342 1.00 0.00 C ATOM 388 CG GLN A 408 12.970 -4.212 -0.712 1.00 0.00 C ATOM 389 CD GLN A 408 13.934 -5.153 -1.384 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.119 -6.291 -0.961 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.547 -4.672 -2.441 1.00 0.00 N ATOM 0 H GLN A 408 13.902 -1.040 1.085 1.00 0.00 H new ATOM 0 HA GLN A 408 11.684 -2.714 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.199 -2.564 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.374 -3.973 0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.165 -4.786 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.513 -3.566 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.357 -3.719 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.213 -5.251 -2.952 1.00 0.00 H new ATOM 400 N GLY A 409 11.722 -4.422 2.794 1.00 0.00 N ATOM 401 CA GLY A 409 11.619 -5.241 3.984 1.00 0.00 C ATOM 402 C GLY A 409 10.673 -4.625 4.986 1.00 0.00 C ATOM 403 O GLY A 409 10.547 -5.091 6.119 1.00 0.00 O ATOM 0 H GLY A 409 10.975 -4.561 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.270 -6.238 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.604 -5.359 4.434 1.00 0.00 H new ATOM 407 N LYS A 410 10.004 -3.572 4.555 1.00 0.00 N ATOM 408 CA LYS A 410 9.076 -2.848 5.407 1.00 0.00 C ATOM 409 C LYS A 410 7.646 -3.124 4.976 1.00 0.00 C ATOM 410 O LYS A 410 7.413 -3.800 3.980 1.00 0.00 O ATOM 411 CB LYS A 410 9.366 -1.347 5.346 1.00 0.00 C ATOM 412 CG LYS A 410 9.994 -0.789 6.618 1.00 0.00 C ATOM 413 CD LYS A 410 9.050 -0.913 7.807 1.00 0.00 C ATOM 414 CE LYS A 410 9.675 -0.381 9.088 1.00 0.00 C ATOM 415 NZ LYS A 410 10.896 -1.137 9.471 1.00 0.00 N ATOM 0 H LYS A 410 10.087 -3.195 3.611 1.00 0.00 H new ATOM 0 HA LYS A 410 9.204 -3.188 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.032 -1.149 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.436 -0.815 5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.921 -1.321 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.255 0.258 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.130 -0.367 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.775 -1.959 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 410 9.927 0.671 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 410 8.946 -0.437 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 11.172 -0.882 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 10.702 -2.158 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.670 -0.901 8.817 1.00 0.00 H new ATOM 429 N SER A 411 6.694 -2.600 5.728 1.00 0.00 N ATOM 430 CA SER A 411 5.293 -2.782 5.415 1.00 0.00 C ATOM 431 C SER A 411 4.511 -1.546 5.828 1.00 0.00 C ATOM 432 O SER A 411 5.020 -0.697 6.562 1.00 0.00 O ATOM 433 CB SER A 411 4.752 -4.032 6.118 1.00 0.00 C ATOM 434 OG SER A 411 3.397 -4.281 5.790 1.00 0.00 O ATOM 0 H SER A 411 6.870 -2.042 6.564 1.00 0.00 H new ATOM 0 HA SER A 411 5.179 -2.922 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.357 -4.895 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 411 4.847 -3.911 7.197 1.00 0.00 H new ATOM 0 HG SER A 411 3.090 -5.086 6.256 1.00 0.00 H new ATOM 440 N ILE A 412 3.290 -1.449 5.347 1.00 0.00 N ATOM 441 CA ILE A 412 2.430 -0.323 5.657 1.00 0.00 C ATOM 442 C ILE A 412 0.976 -0.718 5.494 1.00 0.00 C ATOM 443 O ILE A 412 0.605 -1.431 4.558 1.00 0.00 O ATOM 444 CB ILE A 412 2.761 0.907 4.774 1.00 0.00 C ATOM 445 CG1 ILE A 412 1.990 2.139 5.248 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.471 0.629 3.306 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.373 2.593 6.640 1.00 0.00 C ATOM 0 H ILE A 412 2.865 -2.144 4.733 1.00 0.00 H new ATOM 0 HA ILE A 412 2.608 -0.040 6.694 1.00 0.00 H new ATOM 0 HB ILE A 412 3.828 1.107 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.162 2.957 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.922 1.920 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.714 1.511 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.076 -0.212 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.415 0.389 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.787 3.471 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.175 1.791 7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.433 2.844 6.662 1.00 0.00 H new ATOM 459 N ASP A 413 0.172 -0.278 6.437 1.00 0.00 N ATOM 460 CA ASP A 413 -1.243 -0.595 6.456 1.00 0.00 C ATOM 461 C ASP A 413 -2.002 0.370 5.559 1.00 0.00 C ATOM 462 O ASP A 413 -1.840 1.589 5.665 1.00 0.00 O ATOM 463 CB ASP A 413 -1.761 -0.502 7.884 1.00 0.00 C ATOM 464 CG ASP A 413 -3.179 -1.018 8.054 1.00 0.00 C ATOM 465 OD1 ASP A 413 -4.126 -0.384 7.547 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.355 -2.055 8.721 1.00 0.00 O ATOM 0 H ASP A 413 0.478 0.309 7.213 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.394 -1.609 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.097 -1.066 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.721 0.538 8.209 1.00 0.00 H new ATOM 471 N VAL A 414 -2.823 -0.176 4.687 1.00 0.00 N ATOM 472 CA VAL A 414 -3.552 0.619 3.712 1.00 0.00 C ATOM 473 C VAL A 414 -5.051 0.503 3.940 1.00 0.00 C ATOM 474 O VAL A 414 -5.632 -0.575 3.788 1.00 0.00 O ATOM 475 CB VAL A 414 -3.222 0.184 2.269 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.926 1.077 1.258 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.721 0.195 2.040 1.00 0.00 C ATOM 0 H VAL A 414 -3.006 -1.178 4.631 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.242 1.656 3.843 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.585 -0.834 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.677 0.750 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.004 1.013 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.601 2.108 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.507 -0.114 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.335 1.201 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.242 -0.494 2.735 1.00 0.00 H new ATOM 487 N ALA A 415 -5.674 1.605 4.319 1.00 0.00 N ATOM 488 CA ALA A 415 -7.103 1.617 4.569 1.00 0.00 C ATOM 489 C ALA A 415 -7.872 2.068 3.334 1.00 0.00 C ATOM 490 O ALA A 415 -8.042 3.260 3.094 1.00 0.00 O ATOM 491 CB ALA A 415 -7.430 2.514 5.756 1.00 0.00 C ATOM 0 H ALA A 415 -5.212 2.503 4.460 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.411 0.599 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.506 2.511 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.919 2.143 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.099 3.531 5.545 1.00 0.00 H new ATOM 497 N CYS A 416 -8.304 1.114 2.529 1.00 0.00 N ATOM 498 CA CYS A 416 -9.201 1.412 1.425 1.00 0.00 C ATOM 499 C CYS A 416 -10.592 1.692 1.985 1.00 0.00 C ATOM 500 O CYS A 416 -10.917 1.240 3.085 1.00 0.00 O ATOM 501 CB CYS A 416 -9.246 0.238 0.445 1.00 0.00 C ATOM 502 SG CYS A 416 -7.614 -0.263 -0.197 1.00 0.00 S ATOM 0 H CYS A 416 -8.050 0.130 2.617 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.841 2.288 0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.707 -0.617 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.888 0.505 -0.395 1.00 0.00 H new ATOM 507 N HIS A 417 -11.403 2.461 1.262 1.00 0.00 N ATOM 508 CA HIS A 417 -12.773 2.721 1.713 1.00 0.00 C ATOM 509 C HIS A 417 -13.558 1.420 1.831 1.00 0.00 C ATOM 510 O HIS A 417 -13.220 0.420 1.193 1.00 0.00 O ATOM 511 CB HIS A 417 -13.518 3.683 0.784 1.00 0.00 C ATOM 512 CG HIS A 417 -13.229 5.132 1.039 1.00 0.00 C ATOM 513 ND1 HIS A 417 -12.179 5.809 0.461 1.00 0.00 N ATOM 514 CD2 HIS A 417 -13.871 6.038 1.816 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.185 7.065 0.870 1.00 0.00 C ATOM 516 NE2 HIS A 417 -13.201 7.227 1.691 1.00 0.00 N ATOM 0 H HIS A 417 -11.146 2.907 0.381 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.695 3.192 2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.257 3.448 -0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.590 3.514 0.888 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -11.501 5.403 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.747 5.857 2.421 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.478 7.828 0.580 1.00 0.00 H new ATOM 525 N PRO A 418 -14.618 1.436 2.652 1.00 0.00 N ATOM 526 CA PRO A 418 -15.457 0.264 2.925 1.00 0.00 C ATOM 527 C PRO A 418 -15.924 -0.432 1.653 1.00 0.00 C ATOM 528 O PRO A 418 -16.649 0.144 0.838 1.00 0.00 O ATOM 529 CB PRO A 418 -16.646 0.857 3.679 1.00 0.00 C ATOM 530 CG PRO A 418 -16.101 2.072 4.334 1.00 0.00 C ATOM 531 CD PRO A 418 -15.097 2.626 3.370 1.00 0.00 C ATOM 0 HA PRO A 418 -14.918 -0.504 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.463 1.104 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.042 0.154 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.890 2.796 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.636 1.829 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.549 3.349 2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.285 3.137 3.886 1.00 0.00 H new ATOM 539 N GLY A 419 -15.481 -1.667 1.484 1.00 0.00 N ATOM 540 CA GLY A 419 -15.855 -2.443 0.324 1.00 0.00 C ATOM 541 C GLY A 419 -14.658 -2.752 -0.547 1.00 0.00 C ATOM 542 O GLY A 419 -14.706 -3.646 -1.392 1.00 0.00 O ATOM 0 H GLY A 419 -14.863 -2.149 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.323 -3.374 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.597 -1.896 -0.257 1.00 0.00 H new ATOM 546 N TYR A 420 -13.577 -2.014 -0.334 1.00 0.00 N ATOM 547 CA TYR A 420 -12.353 -2.212 -1.095 1.00 0.00 C ATOM 548 C TYR A 420 -11.262 -2.792 -0.205 1.00 0.00 C ATOM 549 O TYR A 420 -11.217 -2.513 0.996 1.00 0.00 O ATOM 550 CB TYR A 420 -11.884 -0.888 -1.708 1.00 0.00 C ATOM 551 CG TYR A 420 -12.923 -0.231 -2.585 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.148 -0.677 -3.880 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.683 0.830 -2.115 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.103 -0.084 -4.680 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.638 1.428 -2.908 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.846 0.967 -4.189 1.00 0.00 C ATOM 557 OH TYR A 420 -15.801 1.557 -4.980 1.00 0.00 O ATOM 0 H TYR A 420 -13.524 -1.270 0.362 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.559 -2.917 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.610 -0.202 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.984 -1.067 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.567 -1.501 -4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.523 1.193 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.267 -0.442 -5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.220 2.254 -2.527 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.235 2.282 -4.483 1.00 0.00 H new ATOM 567 N ALA A 421 -10.394 -3.599 -0.797 1.00 0.00 N ATOM 568 CA ALA A 421 -9.320 -4.244 -0.060 1.00 0.00 C ATOM 569 C ALA A 421 -8.136 -4.537 -0.976 1.00 0.00 C ATOM 570 O ALA A 421 -8.245 -4.429 -2.200 1.00 0.00 O ATOM 571 CB ALA A 421 -9.821 -5.531 0.581 1.00 0.00 C ATOM 0 H ALA A 421 -10.414 -3.823 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.986 -3.565 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.007 -6.005 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.637 -5.302 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.178 -6.209 -0.194 1.00 0.00 H new ATOM 577 N LEU A 422 -7.016 -4.909 -0.368 1.00 0.00 N ATOM 578 CA LEU A 422 -5.793 -5.215 -1.096 1.00 0.00 C ATOM 579 C LEU A 422 -5.807 -6.641 -1.613 1.00 0.00 C ATOM 580 O LEU A 422 -6.507 -7.504 -1.074 1.00 0.00 O ATOM 581 CB LEU A 422 -4.576 -5.030 -0.187 1.00 0.00 C ATOM 582 CG LEU A 422 -4.209 -3.581 0.137 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.108 -3.536 1.181 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.772 -2.849 -1.119 1.00 0.00 C ATOM 0 H LEU A 422 -6.931 -5.007 0.644 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.732 -4.531 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.760 -5.558 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.717 -5.507 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.092 -3.084 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.858 -2.498 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.450 -4.028 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.225 -4.049 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.515 -1.820 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.902 -3.347 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.585 -2.854 -1.845 1.00 0.00 H new ATOM 596 N PRO A 423 -5.033 -6.896 -2.678 1.00 0.00 N ATOM 597 CA PRO A 423 -4.829 -8.240 -3.223 1.00 0.00 C ATOM 598 C PRO A 423 -4.273 -9.203 -2.177 1.00 0.00 C ATOM 599 O PRO A 423 -3.651 -8.783 -1.196 1.00 0.00 O ATOM 600 CB PRO A 423 -3.807 -8.018 -4.346 1.00 0.00 C ATOM 601 CG PRO A 423 -3.978 -6.596 -4.724 1.00 0.00 C ATOM 602 CD PRO A 423 -4.302 -5.879 -3.452 1.00 0.00 C ATOM 0 HA PRO A 423 -5.761 -8.691 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.792 -8.219 -4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.996 -8.679 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.070 -6.199 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.778 -6.478 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.402 -5.547 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.911 -4.993 -3.632 1.00 0.00 H new ATOM 610 N LYS A 424 -4.518 -10.491 -2.397 1.00 0.00 N ATOM 611 CA LYS A 424 -4.075 -11.551 -1.492 1.00 0.00 C ATOM 612 C LYS A 424 -4.761 -11.444 -0.133 1.00 0.00 C ATOM 613 O LYS A 424 -4.243 -11.936 0.871 1.00 0.00 O ATOM 614 CB LYS A 424 -2.554 -11.518 -1.315 1.00 0.00 C ATOM 615 CG LYS A 424 -1.782 -11.883 -2.570 1.00 0.00 C ATOM 616 CD LYS A 424 -0.287 -11.657 -2.394 1.00 0.00 C ATOM 617 CE LYS A 424 0.271 -12.421 -1.200 1.00 0.00 C ATOM 618 NZ LYS A 424 0.099 -13.893 -1.340 1.00 0.00 N ATOM 0 H LYS A 424 -5.031 -10.832 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.355 -12.503 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.257 -10.519 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.276 -12.205 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -1.966 -12.928 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.145 -11.287 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 424 0.235 -11.968 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.094 -10.592 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 424 1.330 -12.190 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.227 -12.084 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.568 -14.374 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -0.915 -14.126 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 0.523 -14.208 -2.236 1.00 0.00 H new ATOM 632 N ALA A 425 -5.933 -10.801 -0.124 1.00 0.00 N ATOM 633 CA ALA A 425 -6.712 -10.589 1.096 1.00 0.00 C ATOM 634 C ALA A 425 -5.860 -9.958 2.197 1.00 0.00 C ATOM 635 O ALA A 425 -5.943 -10.341 3.365 1.00 0.00 O ATOM 636 CB ALA A 425 -7.327 -11.900 1.572 1.00 0.00 C ATOM 0 H ALA A 425 -6.366 -10.414 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.518 -9.894 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.903 -11.723 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -7.984 -12.296 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.535 -12.620 1.779 1.00 0.00 H new ATOM 642 N GLN A 426 -5.033 -8.994 1.811 1.00 0.00 N ATOM 643 CA GLN A 426 -4.135 -8.336 2.745 1.00 0.00 C ATOM 644 C GLN A 426 -4.631 -6.941 3.092 1.00 0.00 C ATOM 645 O GLN A 426 -5.484 -6.382 2.400 1.00 0.00 O ATOM 646 CB GLN A 426 -2.731 -8.246 2.154 1.00 0.00 C ATOM 647 CG GLN A 426 -2.075 -9.598 1.929 1.00 0.00 C ATOM 648 CD GLN A 426 -0.607 -9.495 1.556 1.00 0.00 C ATOM 649 OE1 GLN A 426 0.178 -10.397 1.838 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.221 -8.396 0.932 1.00 0.00 N ATOM 0 H GLN A 426 -4.968 -8.651 0.853 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.108 -8.932 3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.780 -7.713 1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.103 -7.654 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.172 -10.197 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.608 -10.126 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.901 -7.668 0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.757 -8.276 0.668 1.00 0.00 H new ATOM 659 N THR A 427 -4.103 -6.394 4.173 1.00 0.00 N ATOM 660 CA THR A 427 -4.405 -5.032 4.572 1.00 0.00 C ATOM 661 C THR A 427 -3.125 -4.204 4.610 1.00 0.00 C ATOM 662 O THR A 427 -3.151 -2.989 4.808 1.00 0.00 O ATOM 663 CB THR A 427 -5.087 -5.004 5.951 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.309 -5.756 6.893 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.492 -5.585 5.875 1.00 0.00 C ATOM 0 H THR A 427 -3.456 -6.879 4.795 1.00 0.00 H new ATOM 0 HA THR A 427 -5.090 -4.604 3.840 1.00 0.00 H new ATOM 0 HB THR A 427 -5.157 -3.966 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.746 -5.734 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.953 -5.554 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.090 -5.000 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.440 -6.618 5.531 1.00 0.00 H new ATOM 673 N THR A 428 -2.008 -4.886 4.406 1.00 0.00 N ATOM 674 CA THR A 428 -0.707 -4.273 4.448 1.00 0.00 C ATOM 675 C THR A 428 0.069 -4.530 3.153 1.00 0.00 C ATOM 676 O THR A 428 -0.081 -5.580 2.525 1.00 0.00 O ATOM 677 CB THR A 428 0.079 -4.836 5.638 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.374 -6.167 5.942 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.065 -3.945 6.862 1.00 0.00 C ATOM 0 H THR A 428 -1.988 -5.886 4.206 1.00 0.00 H new ATOM 0 HA THR A 428 -0.836 -3.196 4.559 1.00 0.00 H new ATOM 0 HB THR A 428 1.133 -4.868 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.134 -6.520 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.503 -4.369 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.315 -2.949 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.117 -3.877 7.141 1.00 0.00 H new ATOM 687 N VAL A 429 0.882 -3.563 2.747 1.00 0.00 N ATOM 688 CA VAL A 429 1.739 -3.724 1.581 1.00 0.00 C ATOM 689 C VAL A 429 3.193 -3.764 2.018 1.00 0.00 C ATOM 690 O VAL A 429 3.634 -2.933 2.809 1.00 0.00 O ATOM 691 CB VAL A 429 1.552 -2.580 0.558 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.179 -2.931 -0.773 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.084 -2.239 0.374 1.00 0.00 C ATOM 0 H VAL A 429 0.965 -2.658 3.209 1.00 0.00 H new ATOM 0 HA VAL A 429 1.458 -4.659 1.097 1.00 0.00 H new ATOM 0 HB VAL A 429 2.059 -1.701 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.032 -2.108 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.246 -3.106 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.711 -3.832 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.014 -1.431 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.451 -3.117 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.339 -1.923 1.328 1.00 0.00 H new ATOM 703 N THR A 430 3.925 -4.737 1.513 1.00 0.00 N ATOM 704 CA THR A 430 5.315 -4.915 1.872 1.00 0.00 C ATOM 705 C THR A 430 6.218 -4.203 0.870 1.00 0.00 C ATOM 706 O THR A 430 6.041 -4.336 -0.337 1.00 0.00 O ATOM 707 CB THR A 430 5.648 -6.416 1.920 1.00 0.00 C ATOM 708 OG1 THR A 430 4.738 -7.068 2.816 1.00 0.00 O ATOM 709 CG2 THR A 430 7.082 -6.661 2.372 1.00 0.00 C ATOM 0 H THR A 430 3.574 -5.423 0.845 1.00 0.00 H new ATOM 0 HA THR A 430 5.487 -4.480 2.857 1.00 0.00 H new ATOM 0 HB THR A 430 5.546 -6.823 0.914 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.943 -8.026 2.851 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.279 -7.733 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.770 -6.179 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.225 -6.246 3.370 1.00 0.00 H new ATOM 717 N CYS A 431 7.165 -3.432 1.374 1.00 0.00 N ATOM 718 CA CYS A 431 8.091 -2.702 0.525 1.00 0.00 C ATOM 719 C CYS A 431 9.149 -3.630 -0.015 1.00 0.00 C ATOM 720 O CYS A 431 9.990 -4.101 0.748 1.00 0.00 O ATOM 721 CB CYS A 431 8.792 -1.603 1.311 1.00 0.00 C ATOM 722 SG CYS A 431 9.931 -0.603 0.312 1.00 0.00 S ATOM 0 H CYS A 431 7.314 -3.294 2.374 1.00 0.00 H new ATOM 0 HA CYS A 431 7.514 -2.267 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.040 -0.949 1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.346 -2.054 2.134 1.00 0.00 H new ATOM 727 N MET A 432 9.117 -3.911 -1.308 1.00 0.00 N ATOM 728 CA MET A 432 10.161 -4.718 -1.902 1.00 0.00 C ATOM 729 C MET A 432 10.526 -4.275 -3.296 1.00 0.00 C ATOM 730 O MET A 432 9.678 -3.865 -4.086 1.00 0.00 O ATOM 731 CB MET A 432 9.817 -6.187 -1.875 1.00 0.00 C ATOM 732 CG MET A 432 9.952 -6.777 -0.497 1.00 0.00 C ATOM 733 SD MET A 432 10.217 -8.559 -0.507 1.00 0.00 S ATOM 734 CE MET A 432 10.345 -8.890 1.250 1.00 0.00 C ATOM 0 H MET A 432 8.392 -3.597 -1.953 1.00 0.00 H new ATOM 0 HA MET A 432 11.045 -4.566 -1.282 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.796 -6.326 -2.229 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.469 -6.724 -2.564 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.784 -6.296 0.017 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.052 -6.554 0.076 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.511 -9.956 1.408 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.180 -8.327 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.422 -8.589 1.745 1.00 0.00 H new ATOM 744 N GLU A 433 11.823 -4.377 -3.547 1.00 0.00 N ATOM 745 CA GLU A 433 12.481 -3.915 -4.764 1.00 0.00 C ATOM 746 C GLU A 433 11.891 -2.599 -5.277 1.00 0.00 C ATOM 747 O GLU A 433 11.656 -2.443 -6.473 1.00 0.00 O ATOM 748 CB GLU A 433 12.437 -4.989 -5.841 1.00 0.00 C ATOM 749 CG GLU A 433 13.744 -5.119 -6.609 1.00 0.00 C ATOM 750 CD GLU A 433 13.672 -6.121 -7.742 1.00 0.00 C ATOM 751 OE1 GLU A 433 13.317 -7.292 -7.486 1.00 0.00 O ATOM 752 OE2 GLU A 433 13.988 -5.751 -8.891 1.00 0.00 O ATOM 0 H GLU A 433 12.472 -4.800 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 433 13.523 -3.719 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.196 -5.947 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.633 -4.761 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.020 -4.144 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.535 -5.415 -5.920 1.00 0.00 H new ATOM 759 N ASN A 434 11.636 -1.667 -4.344 1.00 0.00 N ATOM 760 CA ASN A 434 11.110 -0.326 -4.669 1.00 0.00 C ATOM 761 C ASN A 434 9.642 -0.374 -5.121 1.00 0.00 C ATOM 762 O ASN A 434 8.925 0.620 -5.026 1.00 0.00 O ATOM 763 CB ASN A 434 11.985 0.350 -5.744 1.00 0.00 C ATOM 764 CG ASN A 434 11.321 1.551 -6.404 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.627 1.408 -7.409 1.00 0.00 O ATOM 766 ND2 ASN A 434 11.526 2.739 -5.855 1.00 0.00 N ATOM 0 H ASN A 434 11.787 -1.818 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 434 11.148 0.268 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.923 0.668 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 434 12.235 -0.383 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 434 11.102 3.571 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 434 12.107 2.822 -5.021 1.00 0.00 H new ATOM 773 N GLY A 435 9.179 -1.530 -5.562 1.00 0.00 N ATOM 774 CA GLY A 435 7.866 -1.611 -6.160 1.00 0.00 C ATOM 775 C GLY A 435 6.914 -2.507 -5.399 1.00 0.00 C ATOM 776 O GLY A 435 6.469 -3.512 -5.948 1.00 0.00 O ATOM 0 H GLY A 435 9.688 -2.413 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.440 -0.609 -6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.962 -1.979 -7.181 1.00 0.00 H new ATOM 780 N TRP A 436 6.656 -2.142 -4.128 1.00 0.00 N ATOM 781 CA TRP A 436 5.604 -2.716 -3.283 1.00 0.00 C ATOM 782 C TRP A 436 5.184 -4.137 -3.677 1.00 0.00 C ATOM 783 O TRP A 436 4.450 -4.337 -4.646 1.00 0.00 O ATOM 784 CB TRP A 436 4.409 -1.775 -3.286 1.00 0.00 C ATOM 785 CG TRP A 436 4.684 -0.453 -2.615 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.731 0.778 -3.210 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.965 -0.231 -1.226 1.00 0.00 C ATOM 788 NE1 TRP A 436 5.004 1.748 -2.272 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.156 1.153 -1.051 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.068 -1.064 -0.113 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.445 1.716 0.187 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.358 -0.503 1.115 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.543 0.875 1.257 1.00 0.00 C ATOM 0 H TRP A 436 7.193 -1.417 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 436 6.015 -2.816 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.102 -1.594 -4.316 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.572 -2.261 -2.784 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.576 0.962 -4.263 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.080 2.748 -2.458 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.923 -2.130 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.587 2.781 0.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.443 -1.141 1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.768 1.282 2.232 1.00 0.00 H new ATOM 804 N SER A 437 5.588 -5.097 -2.852 1.00 0.00 N ATOM 805 CA SER A 437 5.545 -6.517 -3.191 1.00 0.00 C ATOM 806 C SER A 437 4.179 -6.976 -3.707 1.00 0.00 C ATOM 807 O SER A 437 4.079 -7.477 -4.829 1.00 0.00 O ATOM 808 CB SER A 437 5.960 -7.337 -1.970 1.00 0.00 C ATOM 809 OG SER A 437 7.310 -7.168 -1.690 1.00 0.00 O ATOM 0 H SER A 437 5.958 -4.911 -1.920 1.00 0.00 H new ATOM 0 HA SER A 437 6.244 -6.678 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.366 -7.036 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.752 -8.392 -2.148 1.00 0.00 H new ATOM 0 HG SER A 437 7.808 -7.954 -1.996 1.00 0.00 H new ATOM 815 N PRO A 438 3.104 -6.822 -2.915 1.00 0.00 N ATOM 816 CA PRO A 438 1.786 -7.302 -3.307 1.00 0.00 C ATOM 817 C PRO A 438 1.022 -6.290 -4.155 1.00 0.00 C ATOM 818 O PRO A 438 -0.045 -6.587 -4.696 1.00 0.00 O ATOM 819 CB PRO A 438 1.131 -7.501 -1.956 1.00 0.00 C ATOM 820 CG PRO A 438 1.632 -6.360 -1.153 1.00 0.00 C ATOM 821 CD PRO A 438 3.067 -6.191 -1.572 1.00 0.00 C ATOM 0 HA PRO A 438 1.815 -8.194 -3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.044 -7.490 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.410 -8.457 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.055 -5.456 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.554 -6.564 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.354 -5.140 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.750 -6.681 -0.878 1.00 0.00 H new ATOM 829 N THR A 439 1.604 -5.098 -4.259 1.00 0.00 N ATOM 830 CA THR A 439 1.055 -3.997 -5.047 1.00 0.00 C ATOM 831 C THR A 439 -0.166 -3.365 -4.366 1.00 0.00 C ATOM 832 O THR A 439 -1.177 -4.023 -4.126 1.00 0.00 O ATOM 833 CB THR A 439 0.704 -4.448 -6.482 1.00 0.00 C ATOM 834 OG1 THR A 439 1.863 -5.026 -7.101 1.00 0.00 O ATOM 835 CG2 THR A 439 0.219 -3.276 -7.322 1.00 0.00 C ATOM 0 H THR A 439 2.481 -4.866 -3.793 1.00 0.00 H new ATOM 0 HA THR A 439 1.833 -3.236 -5.112 1.00 0.00 H new ATOM 0 HB THR A 439 -0.096 -5.186 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.639 -5.313 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.021 -3.623 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.672 -2.845 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.001 -2.519 -7.377 1.00 0.00 H new ATOM 843 N PRO A 440 -0.068 -2.068 -4.024 1.00 0.00 N ATOM 844 CA PRO A 440 -1.161 -1.333 -3.390 1.00 0.00 C ATOM 845 C PRO A 440 -2.313 -1.083 -4.359 1.00 0.00 C ATOM 846 O PRO A 440 -2.239 -0.193 -5.206 1.00 0.00 O ATOM 847 CB PRO A 440 -0.534 0.000 -2.961 1.00 0.00 C ATOM 848 CG PRO A 440 0.924 -0.079 -3.289 1.00 0.00 C ATOM 849 CD PRO A 440 1.114 -1.228 -4.240 1.00 0.00 C ATOM 0 HA PRO A 440 -1.585 -1.893 -2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.003 0.833 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.681 0.170 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.266 0.852 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.513 -0.230 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.176 -0.885 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.034 -1.773 -4.029 1.00 0.00 H new ATOM 857 N ARG A 441 -3.369 -1.877 -4.233 1.00 0.00 N ATOM 858 CA ARG A 441 -4.537 -1.756 -5.097 1.00 0.00 C ATOM 859 C ARG A 441 -5.806 -1.997 -4.296 1.00 0.00 C ATOM 860 O ARG A 441 -5.955 -3.040 -3.666 1.00 0.00 O ATOM 861 CB ARG A 441 -4.479 -2.769 -6.248 1.00 0.00 C ATOM 862 CG ARG A 441 -3.308 -2.576 -7.196 1.00 0.00 C ATOM 863 CD ARG A 441 -3.292 -3.636 -8.285 1.00 0.00 C ATOM 864 NE ARG A 441 -4.495 -3.584 -9.111 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.034 -4.638 -9.720 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.494 -5.841 -9.585 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.122 -4.483 -10.461 1.00 0.00 N ATOM 0 H ARG A 441 -3.440 -2.617 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.542 -0.747 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.430 -3.774 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.406 -2.706 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.366 -1.587 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.374 -2.615 -6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.413 -3.497 -8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.206 -4.623 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.953 -2.680 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.660 -5.964 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.913 -6.644 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.542 -3.559 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.539 -5.287 -10.930 1.00 0.00 H new ATOM 881 N CYS A 442 -6.713 -1.040 -4.329 1.00 0.00 N ATOM 882 CA CYS A 442 -7.988 -1.183 -3.651 1.00 0.00 C ATOM 883 C CYS A 442 -9.021 -1.749 -4.616 1.00 0.00 C ATOM 884 O CYS A 442 -9.588 -1.026 -5.438 1.00 0.00 O ATOM 885 CB CYS A 442 -8.465 0.160 -3.092 1.00 0.00 C ATOM 886 SG CYS A 442 -7.352 0.895 -1.846 1.00 0.00 S ATOM 0 H CYS A 442 -6.591 -0.154 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.861 -1.870 -2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.581 0.863 -3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.451 0.025 -2.647 1.00 0.00 H new ATOM 891 N ILE A 443 -9.229 -3.053 -4.545 1.00 0.00 N ATOM 892 CA ILE A 443 -10.221 -3.713 -5.375 1.00 0.00 C ATOM 893 C ILE A 443 -11.476 -3.945 -4.556 1.00 0.00 C ATOM 894 O ILE A 443 -11.416 -4.021 -3.330 1.00 0.00 O ATOM 895 CB ILE A 443 -9.721 -5.072 -5.906 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.256 -4.965 -6.333 1.00 0.00 C ATOM 897 CG2 ILE A 443 -10.582 -5.536 -7.077 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.639 -6.285 -6.743 1.00 0.00 C ATOM 0 H ILE A 443 -8.721 -3.677 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.421 -3.067 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.800 -5.809 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.181 -4.266 -7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -7.678 -4.545 -5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -10.216 -6.496 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -11.616 -5.643 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -10.530 -4.801 -7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -6.600 -6.127 -7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.681 -6.982 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.191 -6.698 -7.587 1.00 0.00 H new ATOM 910 N ARG A 444 -12.600 -4.061 -5.231 1.00 0.00 N ATOM 911 CA ARG A 444 -13.870 -4.227 -4.553 1.00 0.00 C ATOM 912 C ARG A 444 -14.051 -5.675 -4.154 1.00 0.00 C ATOM 913 O ARG A 444 -14.118 -6.571 -4.997 1.00 0.00 O ATOM 914 CB ARG A 444 -15.025 -3.755 -5.431 1.00 0.00 C ATOM 915 CG ARG A 444 -16.251 -3.361 -4.633 1.00 0.00 C ATOM 916 CD ARG A 444 -17.308 -2.703 -5.505 1.00 0.00 C ATOM 917 NE ARG A 444 -18.018 -3.668 -6.343 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.629 -3.353 -7.485 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.506 -2.130 -7.989 1.00 0.00 N ATOM 920 NH2 ARG A 444 -19.345 -4.267 -8.131 1.00 0.00 N ATOM 0 H ARG A 444 -12.661 -4.044 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.870 -3.612 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.697 -2.903 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -15.292 -4.549 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.673 -4.245 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.961 -2.677 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -18.024 -2.180 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.836 -1.953 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.048 -4.640 -6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.944 -1.432 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.974 -1.889 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -19.428 -5.211 -7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.812 -4.025 -9.005 1.00 0.00 H new ATOM 934 N VAL A 445 -14.118 -5.887 -2.860 1.00 0.00 N ATOM 935 CA VAL A 445 -14.133 -7.222 -2.295 1.00 0.00 C ATOM 936 C VAL A 445 -15.503 -7.534 -1.697 1.00 0.00 C ATOM 937 O VAL A 445 -15.788 -8.668 -1.305 1.00 0.00 O ATOM 938 CB VAL A 445 -13.031 -7.346 -1.220 1.00 0.00 C ATOM 939 CG1 VAL A 445 -13.403 -6.570 0.036 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.727 -8.802 -0.902 1.00 0.00 C ATOM 0 H VAL A 445 -14.164 -5.140 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.936 -7.944 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.121 -6.905 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.610 -6.674 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.532 -5.516 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.334 -6.963 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.947 -8.853 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.629 -9.289 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.387 -9.308 -1.805 1.00 0.00 H new