USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 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 Single : A 1 ARG N :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -98:sc= -0.0347 USER MOD Single : A 20 SER OG : rot 49:sc= 1.18 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 59:sc= 1.22 USER MOD Single : A 24 ASN : amide:sc=-0.00236 X(o=-0.0024,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.9! C(o=-2.9!,f=-5.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -40:sc= 0.00318 USER MOD Single : A 28 ASN : amide:sc= -0.575 X(o=-0.58,f=-0.87) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 31 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.12) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 35 TYR OH : rot -81:sc= 2.03 USER MOD Single : A 36 SER OG : rot 83:sc= 0.731 USER MOD Single : A 41 ASN : amide:sc= 1.16 K(o=1.2,f=-0.1) USER MOD Single : A 43 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.712 X(o=-0.71,f=-1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.259 -5.616 2.642 1.00 0.00 N ATOM 2 CA ARG A 1 10.813 -5.341 2.559 1.00 0.00 C ATOM 3 C ARG A 1 9.976 -6.417 3.260 1.00 0.00 C ATOM 4 O ARG A 1 10.155 -7.599 2.971 1.00 0.00 O ATOM 5 CB ARG A 1 10.268 -5.209 1.114 1.00 0.00 C ATOM 6 CG ARG A 1 10.950 -5.935 -0.060 1.00 0.00 C ATOM 7 CD ARG A 1 12.112 -5.169 -0.717 1.00 0.00 C ATOM 8 NE ARG A 1 13.446 -5.554 -0.225 1.00 0.00 N ATOM 9 CZ ARG A 1 14.187 -6.588 -0.658 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.708 -7.435 -1.564 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.418 -6.766 -0.198 1.00 0.00 N ATOM 0 H1 ARG A 1 12.787 -4.837 2.199 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.540 -5.701 3.640 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.472 -6.505 2.146 1.00 0.00 H new ATOM 0 HA ARG A 1 10.713 -4.378 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.229 -5.539 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.261 -4.146 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.324 -6.895 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.199 -6.147 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.075 -5.330 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.969 -4.102 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 1 13.846 -4.980 0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.768 -7.304 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.280 -8.216 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.805 -6.117 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.977 -7.552 -0.529 1.00 0.00 H new ATOM 25 N PRO A 2 9.043 -6.045 4.152 1.00 0.00 N ATOM 26 CA PRO A 2 8.158 -7.003 4.798 1.00 0.00 C ATOM 27 C PRO A 2 7.133 -7.474 3.749 1.00 0.00 C ATOM 28 O PRO A 2 6.896 -6.799 2.740 1.00 0.00 O ATOM 29 CB PRO A 2 7.488 -6.247 5.943 1.00 0.00 C ATOM 30 CG PRO A 2 7.462 -4.809 5.438 1.00 0.00 C ATOM 31 CD PRO A 2 8.749 -4.704 4.617 1.00 0.00 C ATOM 0 HA PRO A 2 8.672 -7.882 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.484 -6.623 6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.052 -6.338 6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.579 -4.612 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.449 -4.094 6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.621 -4.020 3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.567 -4.314 5.223 1.00 0.00 H new ATOM 39 N ARG A 3 6.458 -8.606 3.962 1.00 0.00 N ATOM 40 CA ARG A 3 5.484 -9.091 2.954 1.00 0.00 C ATOM 41 C ARG A 3 4.143 -8.450 3.073 1.00 0.00 C ATOM 42 O ARG A 3 3.349 -8.442 2.139 1.00 0.00 O ATOM 43 CB ARG A 3 5.192 -10.591 3.043 1.00 0.00 C ATOM 44 CG ARG A 3 6.430 -11.425 3.231 1.00 0.00 C ATOM 45 CD ARG A 3 7.499 -10.974 2.240 1.00 0.00 C ATOM 46 NE ARG A 3 8.706 -11.799 2.256 1.00 0.00 N ATOM 47 CZ ARG A 3 9.795 -11.541 2.984 1.00 0.00 C ATOM 48 NH1 ARG A 3 9.709 -10.804 4.086 1.00 0.00 N ATOM 49 NH2 ARG A 3 10.965 -12.021 2.588 1.00 0.00 N ATOM 0 H ARG A 3 6.554 -9.194 4.790 1.00 0.00 H new ATOM 0 HA ARG A 3 5.980 -8.836 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.509 -10.773 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.681 -10.910 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.799 -11.324 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.198 -12.479 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.077 -10.984 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.773 -9.942 2.460 1.00 0.00 H new ATOM 0 HE ARG A 3 8.717 -12.632 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.807 -10.431 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.545 -10.611 4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.025 -12.580 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.805 -11.832 3.134 1.00 0.00 H new ATOM 63 N PHE A 4 3.885 -7.948 4.261 1.00 0.00 N ATOM 64 CA PHE A 4 2.614 -7.335 4.544 1.00 0.00 C ATOM 65 C PHE A 4 2.379 -6.142 3.648 1.00 0.00 C ATOM 66 O PHE A 4 1.219 -5.790 3.441 1.00 0.00 O ATOM 67 CB PHE A 4 2.456 -6.941 6.011 1.00 0.00 C ATOM 68 CG PHE A 4 3.153 -5.673 6.465 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.646 -4.413 6.086 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.284 -5.746 7.296 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.313 -3.240 6.470 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.952 -4.572 7.680 1.00 0.00 C ATOM 73 CZ PHE A 4 4.486 -3.322 7.238 1.00 0.00 C ATOM 0 H PHE A 4 4.540 -7.954 5.043 1.00 0.00 H new ATOM 0 HA PHE A 4 1.856 -8.090 4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.391 -6.835 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.821 -7.765 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.742 -4.351 5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.640 -6.706 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.925 -2.276 6.176 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.824 -4.630 8.315 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.030 -2.424 7.489 1.00 0.00 H new ATOM 83 N CYS A 5 3.449 -5.508 3.151 1.00 0.00 N ATOM 84 CA CYS A 5 3.209 -4.340 2.326 1.00 0.00 C ATOM 85 C CYS A 5 2.950 -4.677 0.869 1.00 0.00 C ATOM 86 O CYS A 5 2.373 -3.877 0.145 1.00 0.00 O ATOM 87 CB CYS A 5 4.303 -3.291 2.478 1.00 0.00 C ATOM 88 SG CYS A 5 6.022 -3.783 2.368 1.00 0.00 S ATOM 0 H CYS A 5 4.424 -5.768 3.297 1.00 0.00 H new ATOM 0 HA CYS A 5 2.285 -3.901 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.132 -2.529 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.162 -2.811 3.447 1.00 0.00 H new ATOM 93 N GLU A 6 3.379 -5.854 0.435 1.00 0.00 N ATOM 94 CA GLU A 6 3.229 -6.289 -0.952 1.00 0.00 C ATOM 95 C GLU A 6 1.989 -7.153 -1.167 1.00 0.00 C ATOM 96 O GLU A 6 1.860 -7.805 -2.210 1.00 0.00 O ATOM 97 CB GLU A 6 4.532 -6.942 -1.418 1.00 0.00 C ATOM 98 CG GLU A 6 4.865 -8.209 -0.637 1.00 0.00 C ATOM 99 CD GLU A 6 6.024 -8.983 -1.253 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.095 -8.368 -1.463 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.864 -10.209 -1.446 1.00 0.00 O ATOM 0 H GLU A 6 3.842 -6.538 1.034 1.00 0.00 H new ATOM 0 HA GLU A 6 3.051 -5.418 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.454 -7.183 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.350 -6.229 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.114 -7.944 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.984 -8.850 -0.597 1.00 0.00 H new ATOM 108 N LEU A 7 1.098 -7.197 -0.170 1.00 0.00 N ATOM 109 CA LEU A 7 -0.130 -7.965 -0.264 1.00 0.00 C ATOM 110 C LEU A 7 -1.014 -7.338 -1.344 1.00 0.00 C ATOM 111 O LEU A 7 -0.686 -6.298 -1.920 1.00 0.00 O ATOM 112 CB LEU A 7 -0.833 -8.056 1.101 1.00 0.00 C ATOM 113 CG LEU A 7 0.001 -8.720 2.211 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.865 -8.870 3.466 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.625 -10.079 1.871 1.00 0.00 C ATOM 0 H LEU A 7 1.214 -6.702 0.714 1.00 0.00 H new ATOM 0 HA LEU A 7 0.091 -8.993 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.105 -7.051 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.761 -8.614 0.980 1.00 0.00 H new ATOM 0 HG LEU A 7 0.849 -8.051 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.281 -9.340 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.199 -7.887 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.732 -9.490 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.188 -10.446 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.163 -10.790 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.295 -9.969 1.018 1.00 0.00 H new ATOM 127 N ALA A 8 -2.121 -8.005 -1.637 1.00 0.00 N ATOM 128 CA ALA A 8 -3.069 -7.572 -2.648 1.00 0.00 C ATOM 129 C ALA A 8 -4.190 -6.867 -1.906 1.00 0.00 C ATOM 130 O ALA A 8 -4.990 -7.562 -1.267 1.00 0.00 O ATOM 131 CB ALA A 8 -3.583 -8.777 -3.430 1.00 0.00 C ATOM 0 H ALA A 8 -2.388 -8.873 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.613 -6.899 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.294 -8.444 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.746 -9.280 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.077 -9.469 -2.748 1.00 0.00 H new ATOM 137 N PRO A 9 -4.276 -5.537 -1.925 1.00 0.00 N ATOM 138 CA PRO A 9 -5.311 -4.810 -1.222 1.00 0.00 C ATOM 139 C PRO A 9 -6.690 -5.136 -1.801 1.00 0.00 C ATOM 140 O PRO A 9 -7.023 -4.659 -2.882 1.00 0.00 O ATOM 141 CB PRO A 9 -4.947 -3.336 -1.353 1.00 0.00 C ATOM 142 CG PRO A 9 -4.168 -3.302 -2.666 1.00 0.00 C ATOM 143 CD PRO A 9 -3.409 -4.620 -2.637 1.00 0.00 C ATOM 0 HA PRO A 9 -5.370 -5.089 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.832 -2.701 -1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.343 -2.991 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.831 -3.235 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.494 -2.447 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.200 -4.977 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.449 -4.512 -2.132 1.00 0.00 H new ATOM 151 N SER A 10 -7.491 -5.934 -1.086 1.00 0.00 N ATOM 152 CA SER A 10 -8.842 -6.333 -1.481 1.00 0.00 C ATOM 153 C SER A 10 -9.810 -5.137 -1.329 1.00 0.00 C ATOM 154 O SER A 10 -10.721 -5.137 -0.501 1.00 0.00 O ATOM 155 CB SER A 10 -9.238 -7.592 -0.680 1.00 0.00 C ATOM 156 OG SER A 10 -10.470 -8.179 -1.065 1.00 0.00 O ATOM 0 H SER A 10 -7.206 -6.330 -0.190 1.00 0.00 H new ATOM 0 HA SER A 10 -8.891 -6.607 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.448 -8.336 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.291 -7.331 0.377 1.00 0.00 H new ATOM 0 HG SER A 10 -10.644 -8.968 -0.511 1.00 0.00 H new ATOM 162 N ALA A 11 -9.607 -4.094 -2.139 1.00 0.00 N ATOM 163 CA ALA A 11 -10.363 -2.844 -2.183 1.00 0.00 C ATOM 164 C ALA A 11 -11.817 -3.001 -2.649 1.00 0.00 C ATOM 165 O ALA A 11 -12.512 -2.001 -2.828 1.00 0.00 O ATOM 166 CB ALA A 11 -9.629 -1.863 -3.104 1.00 0.00 C ATOM 0 H ALA A 11 -8.856 -4.104 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.420 -2.472 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.180 -0.924 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.628 -1.678 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.556 -2.289 -4.105 1.00 0.00 H new ATOM 172 N GLY A 12 -12.242 -4.213 -3.002 1.00 0.00 N ATOM 173 CA GLY A 12 -13.590 -4.512 -3.460 1.00 0.00 C ATOM 174 C GLY A 12 -14.460 -5.120 -2.368 1.00 0.00 C ATOM 175 O GLY A 12 -15.618 -5.434 -2.641 1.00 0.00 O ATOM 0 H GLY A 12 -11.638 -5.034 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.057 -3.597 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.538 -5.201 -4.303 1.00 0.00 H new ATOM 179 N SER A 13 -13.934 -5.287 -1.150 1.00 0.00 N ATOM 180 CA SER A 13 -14.655 -5.889 -0.039 1.00 0.00 C ATOM 181 C SER A 13 -16.014 -5.250 0.239 1.00 0.00 C ATOM 182 O SER A 13 -16.954 -5.975 0.577 1.00 0.00 O ATOM 183 CB SER A 13 -13.733 -5.915 1.182 1.00 0.00 C ATOM 184 OG SER A 13 -14.087 -6.966 2.061 1.00 0.00 O ATOM 0 H SER A 13 -12.984 -5.002 -0.912 1.00 0.00 H new ATOM 0 HA SER A 13 -14.916 -6.912 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.699 -6.038 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.791 -4.962 1.707 1.00 0.00 H new ATOM 0 HG SER A 13 -14.638 -6.611 2.790 1.00 0.00 H new ATOM 190 N CYS A 14 -16.108 -3.926 0.132 1.00 0.00 N ATOM 191 CA CYS A 14 -17.301 -3.120 0.322 1.00 0.00 C ATOM 192 C CYS A 14 -17.164 -1.928 -0.618 1.00 0.00 C ATOM 193 O CYS A 14 -16.055 -1.617 -1.071 1.00 0.00 O ATOM 194 CB CYS A 14 -17.458 -2.632 1.768 1.00 0.00 C ATOM 195 SG CYS A 14 -17.624 -3.934 3.016 1.00 0.00 S ATOM 0 H CYS A 14 -15.297 -3.355 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.187 -3.717 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.594 -2.018 2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.335 -1.987 1.822 1.00 0.00 H new ATOM 200 N PHE A 15 -18.269 -1.240 -0.884 1.00 0.00 N ATOM 201 CA PHE A 15 -18.252 -0.094 -1.769 1.00 0.00 C ATOM 202 C PHE A 15 -17.943 1.139 -0.936 1.00 0.00 C ATOM 203 O PHE A 15 -18.753 1.559 -0.106 1.00 0.00 O ATOM 204 CB PHE A 15 -19.602 0.040 -2.476 1.00 0.00 C ATOM 205 CG PHE A 15 -19.723 1.276 -3.351 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.991 2.546 -2.798 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.536 1.160 -4.737 1.00 0.00 C ATOM 208 CE1 PHE A 15 -20.004 3.687 -3.616 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.631 2.287 -5.564 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.841 3.554 -5.003 1.00 0.00 C ATOM 0 H PHE A 15 -19.186 -1.461 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.489 -0.213 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.768 -0.845 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.393 0.060 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -20.187 2.641 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.317 0.195 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -20.139 4.665 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.542 2.179 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.877 4.427 -5.638 1.00 0.00 H new ATOM 220 N ALA A 16 -16.729 1.652 -1.100 1.00 0.00 N ATOM 221 CA ALA A 16 -16.230 2.841 -0.444 1.00 0.00 C ATOM 222 C ALA A 16 -15.221 3.514 -1.371 1.00 0.00 C ATOM 223 O ALA A 16 -14.756 2.898 -2.333 1.00 0.00 O ATOM 224 CB ALA A 16 -15.601 2.468 0.901 1.00 0.00 C ATOM 0 H ALA A 16 -16.041 1.228 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.042 3.539 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.227 3.368 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.351 1.996 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.776 1.775 0.737 1.00 0.00 H new ATOM 230 N PHE A 17 -14.889 4.769 -1.081 1.00 0.00 N ATOM 231 CA PHE A 17 -13.911 5.544 -1.829 1.00 0.00 C ATOM 232 C PHE A 17 -12.972 6.196 -0.825 1.00 0.00 C ATOM 233 O PHE A 17 -13.341 7.210 -0.219 1.00 0.00 O ATOM 234 CB PHE A 17 -14.588 6.595 -2.714 1.00 0.00 C ATOM 235 CG PHE A 17 -13.616 7.592 -3.331 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.434 7.144 -3.955 1.00 0.00 C ATOM 237 CD2 PHE A 17 -13.862 8.977 -3.240 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.498 8.063 -4.455 1.00 0.00 C ATOM 239 CE2 PHE A 17 -12.929 9.896 -3.751 1.00 0.00 C ATOM 240 CZ PHE A 17 -11.742 9.440 -4.348 1.00 0.00 C ATOM 0 H PHE A 17 -15.302 5.284 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.353 4.890 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.132 6.090 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.324 7.138 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.247 6.085 -4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.770 9.333 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.590 7.710 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.125 10.956 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.019 10.148 -4.724 1.00 0.00 H new ATOM 250 N VAL A 18 -11.813 5.593 -0.582 1.00 0.00 N ATOM 251 CA VAL A 18 -10.798 6.105 0.326 1.00 0.00 C ATOM 252 C VAL A 18 -9.441 5.886 -0.352 1.00 0.00 C ATOM 253 O VAL A 18 -8.958 4.757 -0.342 1.00 0.00 O ATOM 254 CB VAL A 18 -10.943 5.499 1.742 1.00 0.00 C ATOM 255 CG1 VAL A 18 -12.034 6.255 2.515 1.00 0.00 C ATOM 256 CG2 VAL A 18 -11.291 4.002 1.769 1.00 0.00 C ATOM 0 H VAL A 18 -11.549 4.712 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.911 7.174 0.508 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.960 5.604 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.136 5.828 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.759 7.307 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.982 6.168 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.372 3.666 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.241 3.840 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.507 3.437 1.264 1.00 0.00 H new ATOM 266 N PRO A 19 -8.814 6.889 -0.988 1.00 0.00 N ATOM 267 CA PRO A 19 -7.531 6.673 -1.634 1.00 0.00 C ATOM 268 C PRO A 19 -6.448 6.413 -0.587 1.00 0.00 C ATOM 269 O PRO A 19 -6.310 7.174 0.382 1.00 0.00 O ATOM 270 CB PRO A 19 -7.268 7.938 -2.453 1.00 0.00 C ATOM 271 CG PRO A 19 -8.037 9.025 -1.704 1.00 0.00 C ATOM 272 CD PRO A 19 -9.233 8.277 -1.113 1.00 0.00 C ATOM 0 HA PRO A 19 -7.528 5.796 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.203 8.166 -2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.623 7.832 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.427 9.484 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.355 9.825 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.511 8.690 -0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.106 8.365 -1.759 1.00 0.00 H new ATOM 280 N SER A 20 -5.678 5.346 -0.781 1.00 0.00 N ATOM 281 CA SER A 20 -4.569 4.923 0.071 1.00 0.00 C ATOM 282 C SER A 20 -3.297 4.657 -0.779 1.00 0.00 C ATOM 283 O SER A 20 -3.263 5.020 -1.958 1.00 0.00 O ATOM 284 CB SER A 20 -5.088 3.849 1.022 1.00 0.00 C ATOM 285 OG SER A 20 -4.090 3.258 1.816 1.00 0.00 O ATOM 0 H SER A 20 -5.817 4.722 -1.576 1.00 0.00 H new ATOM 0 HA SER A 20 -4.198 5.698 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.843 4.289 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.583 3.071 0.440 1.00 0.00 H new ATOM 0 HG SER A 20 -3.547 3.959 2.234 1.00 0.00 H new ATOM 291 N TYR A 21 -2.194 4.168 -0.201 1.00 0.00 N ATOM 292 CA TYR A 21 -0.913 3.921 -0.891 1.00 0.00 C ATOM 293 C TYR A 21 -0.575 2.447 -1.008 1.00 0.00 C ATOM 294 O TYR A 21 -0.727 1.720 -0.030 1.00 0.00 O ATOM 295 CB TYR A 21 0.237 4.641 -0.174 1.00 0.00 C ATOM 296 CG TYR A 21 0.594 5.967 -0.789 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.120 7.110 -0.406 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.609 6.063 -1.760 1.00 0.00 C ATOM 299 CE1 TYR A 21 0.146 8.339 -1.017 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.856 7.288 -2.395 1.00 0.00 C ATOM 301 CZ TYR A 21 1.116 8.432 -2.036 1.00 0.00 C ATOM 302 OH TYR A 21 1.329 9.594 -2.702 1.00 0.00 O ATOM 0 H TYR A 21 -2.162 3.924 0.789 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.036 4.315 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.037 4.796 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.117 3.998 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.876 7.042 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.197 5.194 -2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.394 9.221 -0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.615 7.355 -3.161 1.00 0.00 H new ATOM 0 HH TYR A 21 2.037 9.465 -3.367 1.00 0.00 H new ATOM 312 N TYR A 22 -0.094 2.067 -2.197 1.00 0.00 N ATOM 313 CA TYR A 22 0.293 0.722 -2.611 1.00 0.00 C ATOM 314 C TYR A 22 1.811 0.607 -2.703 1.00 0.00 C ATOM 315 O TYR A 22 2.438 1.423 -3.382 1.00 0.00 O ATOM 316 CB TYR A 22 -0.266 0.465 -4.024 1.00 0.00 C ATOM 317 CG TYR A 22 -0.328 -0.987 -4.423 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.852 -1.703 -4.687 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.574 -1.614 -4.564 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.801 -3.071 -4.989 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.632 -2.966 -4.940 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.448 -3.717 -5.106 1.00 0.00 C ATOM 323 OH TYR A 22 -0.512 -5.050 -5.356 1.00 0.00 O ATOM 0 H TYR A 22 0.043 2.745 -2.947 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.093 0.009 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.269 0.888 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.350 1.000 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.805 -1.196 -4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.484 -1.061 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.715 -3.629 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.591 -3.435 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.450 -5.329 -5.404 1.00 0.00 H new ATOM 333 N TYR A 23 2.412 -0.387 -2.048 1.00 0.00 N ATOM 334 CA TYR A 23 3.862 -0.583 -2.100 1.00 0.00 C ATOM 335 C TYR A 23 4.234 -1.424 -3.326 1.00 0.00 C ATOM 336 O TYR A 23 3.729 -2.537 -3.487 1.00 0.00 O ATOM 337 CB TYR A 23 4.355 -1.274 -0.829 1.00 0.00 C ATOM 338 CG TYR A 23 5.806 -1.703 -0.909 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.815 -0.744 -1.105 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.137 -3.071 -0.875 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.146 -1.148 -1.273 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.477 -3.477 -0.995 1.00 0.00 C ATOM 343 CZ TYR A 23 8.483 -2.514 -1.224 1.00 0.00 C ATOM 344 OH TYR A 23 9.780 -2.891 -1.368 1.00 0.00 O ATOM 0 H TYR A 23 1.917 -1.070 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 23 4.341 0.393 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.228 -0.598 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.734 -2.148 -0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.564 0.306 -1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.359 -3.810 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.916 -0.409 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.736 -4.522 -0.912 1.00 0.00 H new ATOM 0 HH TYR A 23 10.321 -2.476 -0.664 1.00 0.00 H new ATOM 354 N ASN A 24 5.112 -0.912 -4.195 1.00 0.00 N ATOM 355 CA ASN A 24 5.551 -1.615 -5.395 1.00 0.00 C ATOM 356 C ASN A 24 6.976 -2.107 -5.226 1.00 0.00 C ATOM 357 O ASN A 24 7.940 -1.440 -5.604 1.00 0.00 O ATOM 358 CB ASN A 24 5.463 -0.777 -6.674 1.00 0.00 C ATOM 359 CG ASN A 24 4.044 -0.349 -7.013 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.748 0.839 -7.099 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.128 -1.283 -7.207 1.00 0.00 N ATOM 0 H ASN A 24 5.538 0.008 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 24 4.862 -2.451 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.086 0.110 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.871 -1.351 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.169 -1.018 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.381 -2.268 -7.134 1.00 0.00 H new ATOM 368 N GLN A 25 7.107 -3.307 -4.682 1.00 0.00 N ATOM 369 CA GLN A 25 8.351 -4.019 -4.449 1.00 0.00 C ATOM 370 C GLN A 25 9.173 -4.118 -5.739 1.00 0.00 C ATOM 371 O GLN A 25 10.385 -3.907 -5.698 1.00 0.00 O ATOM 372 CB GLN A 25 8.044 -5.405 -3.845 1.00 0.00 C ATOM 373 CG GLN A 25 7.293 -6.427 -4.722 1.00 0.00 C ATOM 374 CD GLN A 25 6.025 -5.877 -5.391 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.996 -5.541 -6.566 1.00 0.00 O ATOM 376 NE2 GLN A 25 4.982 -5.569 -4.656 1.00 0.00 N ATOM 0 H GLN A 25 6.296 -3.842 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 25 8.959 -3.465 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.990 -5.855 -3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.461 -5.252 -2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.969 -6.790 -5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.022 -7.285 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.959 -5.828 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.195 -5.071 -5.071 1.00 0.00 H new ATOM 385 N TYR A 26 8.532 -4.374 -6.886 1.00 0.00 N ATOM 386 CA TYR A 26 9.199 -4.487 -8.174 1.00 0.00 C ATOM 387 C TYR A 26 9.879 -3.185 -8.578 1.00 0.00 C ATOM 388 O TYR A 26 10.909 -3.213 -9.252 1.00 0.00 O ATOM 389 CB TYR A 26 8.215 -4.895 -9.282 1.00 0.00 C ATOM 390 CG TYR A 26 7.605 -6.281 -9.188 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.418 -7.418 -8.999 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.214 -6.438 -9.342 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.842 -8.700 -8.960 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.627 -7.710 -9.253 1.00 0.00 C ATOM 395 CZ TYR A 26 6.441 -8.854 -9.088 1.00 0.00 C ATOM 396 OH TYR A 26 5.877 -10.093 -9.084 1.00 0.00 O ATOM 0 H TYR A 26 7.522 -4.509 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 26 9.957 -5.262 -8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.403 -4.168 -9.298 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.731 -4.817 -10.239 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.486 -7.304 -8.884 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.594 -5.574 -9.530 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.470 -9.569 -8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.554 -7.815 -9.311 1.00 0.00 H new ATOM 0 HH TYR A 26 4.905 -10.010 -9.181 1.00 0.00 H new ATOM 406 N SER A 27 9.328 -2.052 -8.147 1.00 0.00 N ATOM 407 CA SER A 27 9.873 -0.740 -8.478 1.00 0.00 C ATOM 408 C SER A 27 10.528 -0.056 -7.269 1.00 0.00 C ATOM 409 O SER A 27 11.009 1.071 -7.384 1.00 0.00 O ATOM 410 CB SER A 27 8.772 0.052 -9.197 1.00 0.00 C ATOM 411 OG SER A 27 9.267 1.138 -9.956 1.00 0.00 O ATOM 0 H SER A 27 8.494 -2.019 -7.561 1.00 0.00 H new ATOM 0 HA SER A 27 10.713 -0.818 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.221 -0.620 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.063 0.427 -8.459 1.00 0.00 H new ATOM 0 HG SER A 27 9.985 1.584 -9.460 1.00 0.00 H new ATOM 417 N ASN A 28 10.622 -0.752 -6.124 1.00 0.00 N ATOM 418 CA ASN A 28 11.200 -0.287 -4.873 1.00 0.00 C ATOM 419 C ASN A 28 10.705 1.130 -4.556 1.00 0.00 C ATOM 420 O ASN A 28 11.473 2.044 -4.259 1.00 0.00 O ATOM 421 CB ASN A 28 12.725 -0.397 -4.993 1.00 0.00 C ATOM 422 CG ASN A 28 13.457 -0.157 -3.689 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.324 0.702 -3.602 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.190 -0.942 -2.656 1.00 0.00 N ATOM 0 H ASN A 28 10.274 -1.708 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 28 10.884 -0.901 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.981 -1.389 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.075 0.322 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.708 -0.831 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.467 -1.657 -2.732 1.00 0.00 H new ATOM 431 N THR A 29 9.397 1.336 -4.670 1.00 0.00 N ATOM 432 CA THR A 29 8.749 2.609 -4.409 1.00 0.00 C ATOM 433 C THR A 29 7.314 2.327 -3.966 1.00 0.00 C ATOM 434 O THR A 29 6.966 1.188 -3.640 1.00 0.00 O ATOM 435 CB THR A 29 8.892 3.533 -5.641 1.00 0.00 C ATOM 436 OG1 THR A 29 8.523 4.848 -5.287 1.00 0.00 O ATOM 437 CG2 THR A 29 8.062 3.086 -6.849 1.00 0.00 C ATOM 0 H THR A 29 8.746 0.603 -4.953 1.00 0.00 H new ATOM 0 HA THR A 29 9.223 3.158 -3.596 1.00 0.00 H new ATOM 0 HB THR A 29 9.938 3.483 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.615 5.435 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.214 3.783 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.374 2.088 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.006 3.069 -6.579 1.00 0.00 H new ATOM 445 N CYS A 30 6.507 3.372 -3.859 1.00 0.00 N ATOM 446 CA CYS A 30 5.116 3.317 -3.474 1.00 0.00 C ATOM 447 C CYS A 30 4.367 4.230 -4.427 1.00 0.00 C ATOM 448 O CYS A 30 4.937 5.189 -4.942 1.00 0.00 O ATOM 449 CB CYS A 30 4.960 3.806 -2.035 1.00 0.00 C ATOM 450 SG CYS A 30 3.673 2.975 -1.088 1.00 0.00 S ATOM 0 H CYS A 30 6.825 4.323 -4.048 1.00 0.00 H new ATOM 0 HA CYS A 30 4.727 2.300 -3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.911 3.678 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.747 4.875 -2.051 1.00 0.00 H new ATOM 455 N HIS A 31 3.084 3.971 -4.631 1.00 0.00 N ATOM 456 CA HIS A 31 2.267 4.777 -5.512 1.00 0.00 C ATOM 457 C HIS A 31 0.858 4.779 -4.947 1.00 0.00 C ATOM 458 O HIS A 31 0.401 3.780 -4.386 1.00 0.00 O ATOM 459 CB HIS A 31 2.351 4.221 -6.945 1.00 0.00 C ATOM 460 CG HIS A 31 2.118 5.249 -8.023 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.498 5.038 -9.236 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.635 6.515 -8.038 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.623 6.163 -9.959 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.283 7.106 -9.258 1.00 0.00 N ATOM 0 H HIS A 31 2.586 3.198 -4.190 1.00 0.00 H new ATOM 0 HA HIS A 31 2.615 5.809 -5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.334 3.774 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.618 3.422 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.212 6.977 -7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.247 6.294 -10.963 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.486 8.060 -9.556 1.00 0.00 H new ATOM 472 N SER A 32 0.165 5.908 -5.029 1.00 0.00 N ATOM 473 CA SER A 32 -1.185 5.989 -4.515 1.00 0.00 C ATOM 474 C SER A 32 -2.114 5.124 -5.371 1.00 0.00 C ATOM 475 O SER A 32 -1.950 5.032 -6.590 1.00 0.00 O ATOM 476 CB SER A 32 -1.629 7.444 -4.453 1.00 0.00 C ATOM 477 OG SER A 32 -1.266 8.119 -5.641 1.00 0.00 O ATOM 0 H SER A 32 0.517 6.771 -5.444 1.00 0.00 H new ATOM 0 HA SER A 32 -1.225 5.599 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.709 7.496 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.172 7.935 -3.594 1.00 0.00 H new ATOM 0 HG SER A 32 -1.559 9.053 -5.589 1.00 0.00 H new ATOM 483 N PHE A 33 -3.081 4.476 -4.728 1.00 0.00 N ATOM 484 CA PHE A 33 -4.100 3.609 -5.310 1.00 0.00 C ATOM 485 C PHE A 33 -5.429 3.893 -4.599 1.00 0.00 C ATOM 486 O PHE A 33 -5.506 4.806 -3.771 1.00 0.00 O ATOM 487 CB PHE A 33 -3.679 2.135 -5.298 1.00 0.00 C ATOM 488 CG PHE A 33 -3.977 1.369 -4.029 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.243 1.627 -2.864 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.997 0.402 -4.004 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.491 0.894 -1.693 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.300 -0.269 -2.808 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.529 -0.043 -1.653 1.00 0.00 C ATOM 0 H PHE A 33 -3.180 4.548 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.230 3.831 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.174 1.630 -6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.607 2.083 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.482 2.394 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.548 0.175 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.878 1.054 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.128 -0.961 -2.775 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.737 -0.588 -0.744 1.00 0.00 H new ATOM 503 N THR A 34 -6.497 3.186 -4.941 1.00 0.00 N ATOM 504 CA THR A 34 -7.839 3.349 -4.363 1.00 0.00 C ATOM 505 C THR A 34 -8.181 2.190 -3.404 1.00 0.00 C ATOM 506 O THR A 34 -8.070 1.026 -3.803 1.00 0.00 O ATOM 507 CB THR A 34 -8.840 3.496 -5.522 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.461 2.713 -6.643 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.948 4.946 -6.000 1.00 0.00 C ATOM 0 H THR A 34 -6.460 2.456 -5.652 1.00 0.00 H new ATOM 0 HA THR A 34 -7.886 4.248 -3.748 1.00 0.00 H new ATOM 0 HB THR A 34 -9.798 3.157 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.119 2.828 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.665 5.007 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.284 5.577 -5.177 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.973 5.289 -6.345 1.00 0.00 H new ATOM 517 N TYR A 35 -8.593 2.476 -2.155 1.00 0.00 N ATOM 518 CA TYR A 35 -8.929 1.479 -1.128 1.00 0.00 C ATOM 519 C TYR A 35 -10.416 1.519 -0.714 1.00 0.00 C ATOM 520 O TYR A 35 -11.169 2.363 -1.205 1.00 0.00 O ATOM 521 CB TYR A 35 -7.999 1.681 0.075 1.00 0.00 C ATOM 522 CG TYR A 35 -8.016 0.627 1.156 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.495 -0.655 0.903 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.443 0.965 2.453 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.412 -1.599 1.940 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.408 0.008 3.479 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.917 -1.290 3.224 1.00 0.00 C ATOM 528 OH TYR A 35 -7.867 -2.209 4.229 1.00 0.00 O ATOM 0 H TYR A 35 -8.704 3.435 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.777 0.485 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.978 1.762 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.247 2.638 0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.158 -0.914 -0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.799 1.964 2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.961 -2.563 1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.758 0.266 4.468 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.608 -2.843 4.130 1.00 0.00 H new ATOM 538 N SER A 36 -10.855 0.626 0.183 1.00 0.00 N ATOM 539 CA SER A 36 -12.221 0.539 0.699 1.00 0.00 C ATOM 540 C SER A 36 -12.170 0.527 2.225 1.00 0.00 C ATOM 541 O SER A 36 -11.244 -0.052 2.782 1.00 0.00 O ATOM 542 CB SER A 36 -12.918 -0.729 0.180 1.00 0.00 C ATOM 543 OG SER A 36 -12.162 -1.908 0.434 1.00 0.00 O ATOM 0 H SER A 36 -10.240 -0.083 0.583 1.00 0.00 H new ATOM 0 HA SER A 36 -12.793 1.400 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.897 -0.820 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.088 -0.634 -0.893 1.00 0.00 H new ATOM 0 HG SER A 36 -12.335 -2.217 1.348 1.00 0.00 H new ATOM 549 N GLY A 37 -13.167 1.096 2.908 1.00 0.00 N ATOM 550 CA GLY A 37 -13.206 1.132 4.366 1.00 0.00 C ATOM 551 C GLY A 37 -13.081 -0.268 4.949 1.00 0.00 C ATOM 552 O GLY A 37 -12.209 -0.516 5.786 1.00 0.00 O ATOM 0 H GLY A 37 -13.968 1.544 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.397 1.759 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.140 1.586 4.697 1.00 0.00 H new ATOM 556 N CYS A 38 -13.967 -1.173 4.526 1.00 0.00 N ATOM 557 CA CYS A 38 -13.939 -2.550 4.990 1.00 0.00 C ATOM 558 C CYS A 38 -12.948 -3.372 4.152 1.00 0.00 C ATOM 559 O CYS A 38 -12.572 -2.992 3.035 1.00 0.00 O ATOM 560 CB CYS A 38 -15.357 -3.149 4.936 1.00 0.00 C ATOM 561 SG CYS A 38 -15.706 -4.269 3.550 1.00 0.00 S ATOM 0 H CYS A 38 -14.713 -0.970 3.861 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.600 -2.577 6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.536 -3.689 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -16.074 -2.329 4.901 1.00 0.00 H new ATOM 566 N GLY A 39 -12.594 -4.542 4.683 1.00 0.00 N ATOM 567 CA GLY A 39 -11.703 -5.513 4.081 1.00 0.00 C ATOM 568 C GLY A 39 -10.343 -4.961 3.715 1.00 0.00 C ATOM 569 O GLY A 39 -9.765 -4.128 4.424 1.00 0.00 O ATOM 0 H GLY A 39 -12.943 -4.846 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.571 -6.346 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.174 -5.914 3.184 1.00 0.00 H new ATOM 573 N GLY A 40 -9.814 -5.467 2.608 1.00 0.00 N ATOM 574 CA GLY A 40 -8.518 -5.086 2.102 1.00 0.00 C ATOM 575 C GLY A 40 -7.428 -5.928 2.755 1.00 0.00 C ATOM 576 O GLY A 40 -7.704 -6.929 3.415 1.00 0.00 O ATOM 0 H GLY A 40 -10.288 -6.164 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.489 -5.217 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.339 -4.029 2.300 1.00 0.00 H new ATOM 580 N ASN A 41 -6.171 -5.586 2.479 1.00 0.00 N ATOM 581 CA ASN A 41 -5.011 -6.267 3.061 1.00 0.00 C ATOM 582 C ASN A 41 -4.053 -5.231 3.631 1.00 0.00 C ATOM 583 O ASN A 41 -4.179 -4.040 3.341 1.00 0.00 O ATOM 584 CB ASN A 41 -4.292 -7.188 2.064 1.00 0.00 C ATOM 585 CG ASN A 41 -4.890 -8.591 2.093 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.802 -9.276 3.101 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.483 -9.040 1.005 1.00 0.00 N ATOM 0 H ASN A 41 -5.925 -4.827 1.844 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.375 -6.915 3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.371 -6.775 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.230 -7.235 2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.881 -9.979 0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.544 -8.449 0.176 1.00 0.00 H new ATOM 594 N ALA A 42 -3.043 -5.704 4.370 1.00 0.00 N ATOM 595 CA ALA A 42 -2.027 -4.879 5.012 1.00 0.00 C ATOM 596 C ALA A 42 -1.203 -4.000 4.061 1.00 0.00 C ATOM 597 O ALA A 42 -0.470 -3.148 4.558 1.00 0.00 O ATOM 598 CB ALA A 42 -1.124 -5.762 5.865 1.00 0.00 C ATOM 0 H ALA A 42 -2.911 -6.701 4.540 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.566 -4.165 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.363 -5.147 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.720 -6.264 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.642 -6.507 5.233 1.00 0.00 H new ATOM 604 N ASN A 43 -1.327 -4.166 2.735 1.00 0.00 N ATOM 605 CA ASN A 43 -0.623 -3.356 1.736 1.00 0.00 C ATOM 606 C ASN A 43 -0.919 -1.848 1.867 1.00 0.00 C ATOM 607 O ASN A 43 -0.148 -1.041 1.352 1.00 0.00 O ATOM 608 CB ASN A 43 -1.009 -3.892 0.344 1.00 0.00 C ATOM 609 CG ASN A 43 -1.030 -2.845 -0.771 1.00 0.00 C ATOM 610 OD1 ASN A 43 -1.911 -2.000 -0.819 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.173 -2.965 -1.764 1.00 0.00 N ATOM 0 H ASN A 43 -1.929 -4.879 2.323 1.00 0.00 H new ATOM 0 HA ASN A 43 0.451 -3.446 1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.308 -4.680 0.068 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.996 -4.351 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.244 -2.351 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.562 -3.671 -1.721 1.00 0.00 H new ATOM 618 N ARG A 44 -1.918 -1.465 2.668 1.00 0.00 N ATOM 619 CA ARG A 44 -2.340 -0.085 2.857 1.00 0.00 C ATOM 620 C ARG A 44 -1.348 0.768 3.636 1.00 0.00 C ATOM 621 O ARG A 44 -0.834 0.380 4.684 1.00 0.00 O ATOM 622 CB ARG A 44 -3.625 -0.123 3.717 1.00 0.00 C ATOM 623 CG ARG A 44 -4.246 1.255 4.067 1.00 0.00 C ATOM 624 CD ARG A 44 -4.863 1.310 5.440 1.00 0.00 C ATOM 625 NE ARG A 44 -5.941 0.324 5.544 1.00 0.00 N ATOM 626 CZ ARG A 44 -6.720 0.208 6.630 1.00 0.00 C ATOM 627 NH1 ARG A 44 -6.533 1.001 7.678 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.699 -0.685 6.674 1.00 0.00 N ATOM 0 H ARG A 44 -2.466 -2.129 3.215 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.457 0.351 1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.374 -0.714 3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.402 -0.646 4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.474 2.021 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.007 1.499 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.104 1.113 6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.253 2.309 5.633 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.107 -0.302 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.794 1.703 7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.129 0.908 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.868 -1.296 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.283 -0.761 7.507 1.00 0.00 H new ATOM 642 N PHE A 45 -1.205 2.004 3.159 1.00 0.00 N ATOM 643 CA PHE A 45 -0.383 3.063 3.720 1.00 0.00 C ATOM 644 C PHE A 45 -1.122 4.392 3.581 1.00 0.00 C ATOM 645 O PHE A 45 -2.000 4.548 2.731 1.00 0.00 O ATOM 646 CB PHE A 45 0.987 3.143 3.041 1.00 0.00 C ATOM 647 CG PHE A 45 1.899 2.029 3.467 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.494 2.058 4.739 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.076 0.923 2.626 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.241 0.959 5.183 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.852 -0.158 3.059 1.00 0.00 C ATOM 652 CZ PHE A 45 3.444 -0.143 4.334 1.00 0.00 C ATOM 0 H PHE A 45 -1.694 2.306 2.316 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.206 2.841 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.857 3.110 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.452 4.100 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.376 2.925 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.616 0.905 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.661 0.958 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.997 -1.009 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.052 -0.974 4.660 1.00 0.00 H new ATOM 662 N ARG A 46 -0.777 5.372 4.414 1.00 0.00 N ATOM 663 CA ARG A 46 -1.372 6.714 4.398 1.00 0.00 C ATOM 664 C ARG A 46 -0.458 7.680 3.659 1.00 0.00 C ATOM 665 O ARG A 46 -0.888 8.785 3.340 1.00 0.00 O ATOM 666 CB ARG A 46 -1.758 7.228 5.801 1.00 0.00 C ATOM 667 CG ARG A 46 -0.938 6.731 7.000 1.00 0.00 C ATOM 668 CD ARG A 46 0.581 6.870 6.898 1.00 0.00 C ATOM 669 NE ARG A 46 1.024 8.277 6.866 1.00 0.00 N ATOM 670 CZ ARG A 46 1.689 8.899 7.854 1.00 0.00 C ATOM 671 NH1 ARG A 46 2.013 8.267 8.972 1.00 0.00 N ATOM 672 NH2 ARG A 46 2.057 10.167 7.735 1.00 0.00 N ATOM 0 H ARG A 46 -0.063 5.257 5.134 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.315 6.647 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.701 8.316 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.801 6.966 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.270 7.271 7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.173 5.679 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.045 6.367 7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.928 6.364 5.997 1.00 0.00 H new ATOM 0 HE ARG A 46 0.809 8.819 6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.757 7.287 9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.518 8.760 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.836 10.685 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.561 10.625 8.494 1.00 0.00 H new ATOM 686 N THR A 47 0.788 7.289 3.399 1.00 0.00 N ATOM 687 CA THR A 47 1.761 8.078 2.677 1.00 0.00 C ATOM 688 C THR A 47 2.905 7.214 2.158 1.00 0.00 C ATOM 689 O THR A 47 3.174 6.133 2.697 1.00 0.00 O ATOM 690 CB THR A 47 2.293 9.207 3.573 1.00 0.00 C ATOM 691 OG1 THR A 47 3.052 10.115 2.815 1.00 0.00 O ATOM 692 CG2 THR A 47 3.193 8.629 4.661 1.00 0.00 C ATOM 0 H THR A 47 1.151 6.384 3.698 1.00 0.00 H new ATOM 0 HA THR A 47 1.267 8.518 1.811 1.00 0.00 H new ATOM 0 HB THR A 47 1.439 9.717 4.019 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.384 10.830 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.566 9.436 5.292 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.623 7.927 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.034 8.111 4.200 1.00 0.00 H new ATOM 700 N ILE A 48 3.591 7.711 1.128 1.00 0.00 N ATOM 701 CA ILE A 48 4.748 7.052 0.546 1.00 0.00 C ATOM 702 C ILE A 48 5.907 7.188 1.541 1.00 0.00 C ATOM 703 O ILE A 48 6.782 6.335 1.560 1.00 0.00 O ATOM 704 CB ILE A 48 5.112 7.640 -0.837 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.432 7.015 -1.350 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.182 9.180 -0.841 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.710 7.287 -2.832 1.00 0.00 C ATOM 0 H ILE A 48 3.352 8.592 0.674 1.00 0.00 H new ATOM 0 HA ILE A 48 4.526 6.000 0.369 1.00 0.00 H new ATOM 0 HB ILE A 48 4.304 7.378 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.261 7.402 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.400 5.938 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.442 9.530 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.213 9.589 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.941 9.512 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.651 6.818 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.901 6.875 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.775 8.362 -2.999 1.00 0.00 H new ATOM 719 N ASP A 49 5.917 8.215 2.394 1.00 0.00 N ATOM 720 CA ASP A 49 6.967 8.460 3.383 1.00 0.00 C ATOM 721 C ASP A 49 7.079 7.285 4.358 1.00 0.00 C ATOM 722 O ASP A 49 8.167 6.978 4.836 1.00 0.00 O ATOM 723 CB ASP A 49 6.717 9.770 4.153 1.00 0.00 C ATOM 724 CG ASP A 49 6.996 11.036 3.342 1.00 0.00 C ATOM 725 OD1 ASP A 49 6.642 11.110 2.141 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.574 11.981 3.923 1.00 0.00 O ATOM 0 H ASP A 49 5.176 8.916 2.416 1.00 0.00 H new ATOM 0 HA ASP A 49 7.910 8.558 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.680 9.789 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.342 9.779 5.046 1.00 0.00 H new ATOM 731 N GLU A 50 5.956 6.635 4.674 1.00 0.00 N ATOM 732 CA GLU A 50 5.898 5.499 5.579 1.00 0.00 C ATOM 733 C GLU A 50 6.214 4.255 4.779 1.00 0.00 C ATOM 734 O GLU A 50 7.068 3.458 5.157 1.00 0.00 O ATOM 735 CB GLU A 50 4.491 5.365 6.165 1.00 0.00 C ATOM 736 CG GLU A 50 4.196 6.490 7.153 1.00 0.00 C ATOM 737 CD GLU A 50 4.426 6.076 8.595 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.606 6.015 9.012 1.00 0.00 O ATOM 739 OE2 GLU A 50 3.411 5.884 9.299 1.00 0.00 O ATOM 0 H GLU A 50 5.045 6.895 4.296 1.00 0.00 H new ATOM 0 HA GLU A 50 6.609 5.635 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.756 5.382 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.393 4.402 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.827 7.348 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.162 6.813 7.032 1.00 0.00 H new ATOM 746 N CYS A 51 5.523 4.109 3.651 1.00 0.00 N ATOM 747 CA CYS A 51 5.681 2.978 2.769 1.00 0.00 C ATOM 748 C CYS A 51 7.144 2.773 2.368 1.00 0.00 C ATOM 749 O CYS A 51 7.642 1.648 2.358 1.00 0.00 O ATOM 750 CB CYS A 51 4.792 3.244 1.568 1.00 0.00 C ATOM 751 SG CYS A 51 4.742 1.985 0.307 1.00 0.00 S ATOM 0 H CYS A 51 4.832 4.786 3.329 1.00 0.00 H new ATOM 0 HA CYS A 51 5.389 2.052 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.776 3.405 1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.117 4.175 1.105 1.00 0.00 H new ATOM 756 N ASN A 52 7.853 3.859 2.055 1.00 0.00 N ATOM 757 CA ASN A 52 9.242 3.796 1.666 1.00 0.00 C ATOM 758 C ASN A 52 10.103 3.507 2.886 1.00 0.00 C ATOM 759 O ASN A 52 10.771 2.479 2.913 1.00 0.00 O ATOM 760 CB ASN A 52 9.682 4.994 0.801 1.00 0.00 C ATOM 761 CG ASN A 52 10.256 6.184 1.550 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.332 6.126 2.142 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.559 7.297 1.511 1.00 0.00 N ATOM 0 H ASN A 52 7.469 4.804 2.068 1.00 0.00 H new ATOM 0 HA ASN A 52 9.389 2.957 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.428 4.646 0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.822 5.334 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.908 8.134 1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.669 7.324 1.014 1.00 0.00 H new ATOM 770 N ARG A 53 9.996 4.295 3.956 1.00 0.00 N ATOM 771 CA ARG A 53 10.823 4.057 5.144 1.00 0.00 C ATOM 772 C ARG A 53 10.673 2.647 5.741 1.00 0.00 C ATOM 773 O ARG A 53 11.613 2.144 6.368 1.00 0.00 O ATOM 774 CB ARG A 53 10.622 5.187 6.177 1.00 0.00 C ATOM 775 CG ARG A 53 9.451 4.993 7.151 1.00 0.00 C ATOM 776 CD ARG A 53 9.151 6.231 8.010 1.00 0.00 C ATOM 777 NE ARG A 53 10.294 6.631 8.847 1.00 0.00 N ATOM 778 CZ ARG A 53 10.431 7.783 9.511 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.430 8.651 9.595 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.609 8.053 10.064 1.00 0.00 N ATOM 0 H ARG A 53 9.359 5.089 4.028 1.00 0.00 H new ATOM 0 HA ARG A 53 11.863 4.086 4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.539 5.293 6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.474 6.124 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.558 4.730 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.671 4.151 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.874 7.061 7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.292 6.026 8.649 1.00 0.00 H new ATOM 0 HE ARG A 53 11.059 5.961 8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.537 8.444 9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.554 9.525 10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.378 7.389 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.744 8.924 10.577 1.00 0.00 H new ATOM 794 N THR A 54 9.525 2.000 5.536 1.00 0.00 N ATOM 795 CA THR A 54 9.205 0.677 6.046 1.00 0.00 C ATOM 796 C THR A 54 9.415 -0.483 5.043 1.00 0.00 C ATOM 797 O THR A 54 9.652 -1.608 5.496 1.00 0.00 O ATOM 798 CB THR A 54 7.782 0.788 6.631 1.00 0.00 C ATOM 799 OG1 THR A 54 7.629 0.097 7.853 1.00 0.00 O ATOM 800 CG2 THR A 54 6.666 0.380 5.675 1.00 0.00 C ATOM 0 H THR A 54 8.766 2.404 4.987 1.00 0.00 H new ATOM 0 HA THR A 54 9.914 0.386 6.821 1.00 0.00 H new ATOM 0 HB THR A 54 7.676 1.857 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.710 0.204 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.702 0.491 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.693 1.017 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.804 -0.660 5.378 1.00 0.00 H new ATOM 808 N CYS A 55 9.381 -0.266 3.717 1.00 0.00 N ATOM 809 CA CYS A 55 9.541 -1.337 2.722 1.00 0.00 C ATOM 810 C CYS A 55 10.533 -1.053 1.594 1.00 0.00 C ATOM 811 O CYS A 55 10.905 -1.970 0.864 1.00 0.00 O ATOM 812 CB CYS A 55 8.181 -1.672 2.099 1.00 0.00 C ATOM 813 SG CYS A 55 6.898 -2.177 3.257 1.00 0.00 S ATOM 0 H CYS A 55 9.242 0.657 3.306 1.00 0.00 H new ATOM 0 HA CYS A 55 9.958 -2.173 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.827 -0.799 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.322 -2.470 1.370 1.00 0.00 H new ATOM 818 N VAL A 56 10.922 0.189 1.366 1.00 0.00 N ATOM 819 CA VAL A 56 11.885 0.523 0.323 1.00 0.00 C ATOM 820 C VAL A 56 13.260 0.307 0.957 1.00 0.00 C ATOM 821 O VAL A 56 13.869 1.216 1.528 1.00 0.00 O ATOM 822 CB VAL A 56 11.608 1.923 -0.241 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.677 2.485 -1.169 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.297 1.887 -1.047 1.00 0.00 C ATOM 0 H VAL A 56 10.583 0.993 1.894 1.00 0.00 H new ATOM 0 HA VAL A 56 11.817 -0.108 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 56 11.573 2.571 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.379 3.477 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.624 2.554 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.794 1.827 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.092 2.878 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.392 1.173 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.477 1.584 -0.395 1.00 0.00 H new ATOM 834 N GLY A 57 13.735 -0.934 0.866 1.00 0.00 N ATOM 835 CA GLY A 57 15.011 -1.367 1.400 1.00 0.00 C ATOM 836 C GLY A 57 14.939 -2.795 1.894 1.00 0.00 C ATOM 837 O GLY A 57 15.929 -3.185 2.548 1.00 0.00 O ATOM 0 H GLY A 57 13.221 -1.684 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.778 -1.284 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.308 -0.711 2.218 1.00 0.00 H new TER 841 GLY A 57