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+ 174:sc= 0 (180deg=-0.027) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 87:sc= 0.165 USER MOD Single : A 20 SER OG : rot 1:sc= 0.994 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 32:sc= 1.18 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.5!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -43:sc= 0.0687 USER MOD Single : A 28 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 31 HIS : no HD1:sc=-0.00727 X(o=-0.0073,f=-0.0006) USER MOD Single : A 32 SER OG : rot 15:sc= 0.577 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 33:sc= 0.727 USER MOD Single : A 36 SER OG : rot 151:sc= 1.21 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0.0072) USER MOD Single : A 43 ASN : amide:sc= -0.144 K(o=-0.14,f=-7.3!) USER MOD Single : A 47 THR OG1 : rot -156:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc= 0.00058 K(o=0.00058,f=-0.51) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.181 -5.331 3.240 1.00 0.00 N ATOM 2 CA ARG A 1 10.792 -5.108 2.847 1.00 0.00 C ATOM 3 C ARG A 1 9.910 -6.157 3.509 1.00 0.00 C ATOM 4 O ARG A 1 10.051 -7.344 3.210 1.00 0.00 O ATOM 5 CB ARG A 1 10.618 -5.030 1.326 1.00 0.00 C ATOM 6 CG ARG A 1 11.114 -6.215 0.484 1.00 0.00 C ATOM 7 CD ARG A 1 12.079 -5.752 -0.615 1.00 0.00 C ATOM 8 NE ARG A 1 13.391 -5.300 -0.110 1.00 0.00 N ATOM 9 CZ ARG A 1 14.294 -4.629 -0.846 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.989 -4.225 -2.077 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.491 -4.353 -0.338 1.00 0.00 N ATOM 0 H1 ARG A 1 12.799 -4.682 2.712 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.286 -5.156 4.260 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.448 -6.313 3.028 1.00 0.00 H new ATOM 0 HA ARG A 1 10.473 -4.129 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.557 -4.893 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.130 -4.134 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.614 -6.938 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.263 -6.725 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.234 -6.571 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.615 -4.938 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 1 13.627 -5.510 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.067 -4.424 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.677 -3.716 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.724 -4.650 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.177 -3.844 -0.896 1.00 0.00 H new ATOM 25 N PRO A 2 9.036 -5.745 4.436 1.00 0.00 N ATOM 26 CA PRO A 2 8.160 -6.661 5.131 1.00 0.00 C ATOM 27 C PRO A 2 7.122 -7.194 4.148 1.00 0.00 C ATOM 28 O PRO A 2 6.489 -6.426 3.425 1.00 0.00 O ATOM 29 CB PRO A 2 7.531 -5.845 6.255 1.00 0.00 C ATOM 30 CG PRO A 2 7.501 -4.432 5.675 1.00 0.00 C ATOM 31 CD PRO A 2 8.796 -4.381 4.872 1.00 0.00 C ATOM 0 HA PRO A 2 8.676 -7.529 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.531 -6.202 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.122 -5.894 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.626 -4.270 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.477 -3.672 6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.703 -3.707 4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.621 -4.013 5.481 1.00 0.00 H new ATOM 39 N ARG A 3 6.869 -8.498 4.179 1.00 0.00 N ATOM 40 CA ARG A 3 5.907 -9.140 3.285 1.00 0.00 C ATOM 41 C ARG A 3 4.496 -8.566 3.396 1.00 0.00 C ATOM 42 O ARG A 3 3.702 -8.763 2.486 1.00 0.00 O ATOM 43 CB ARG A 3 5.943 -10.667 3.465 1.00 0.00 C ATOM 44 CG ARG A 3 5.260 -11.183 4.740 1.00 0.00 C ATOM 45 CD ARG A 3 3.795 -11.560 4.489 1.00 0.00 C ATOM 46 NE ARG A 3 3.128 -11.890 5.752 1.00 0.00 N ATOM 47 CZ ARG A 3 2.106 -12.735 5.901 1.00 0.00 C ATOM 48 NH1 ARG A 3 1.490 -13.266 4.845 1.00 0.00 N ATOM 49 NH2 ARG A 3 1.700 -13.033 7.127 1.00 0.00 N ATOM 0 H ARG A 3 7.325 -9.142 4.825 1.00 0.00 H new ATOM 0 HA ARG A 3 6.216 -8.913 2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.467 -11.132 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.983 -10.993 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.800 -12.052 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.311 -10.418 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.278 -10.732 4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.743 -12.411 3.810 1.00 0.00 H new ATOM 0 HE ARG A 3 3.477 -11.432 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.798 -13.028 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.711 -13.910 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.167 -12.619 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.921 -13.677 7.264 1.00 0.00 H new ATOM 63 N PHE A 4 4.123 -7.883 4.484 1.00 0.00 N ATOM 64 CA PHE A 4 2.773 -7.325 4.557 1.00 0.00 C ATOM 65 C PHE A 4 2.593 -6.233 3.485 1.00 0.00 C ATOM 66 O PHE A 4 1.471 -5.942 3.073 1.00 0.00 O ATOM 67 CB PHE A 4 2.461 -6.836 5.973 1.00 0.00 C ATOM 68 CG PHE A 4 3.087 -5.517 6.366 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.571 -4.317 5.846 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.165 -5.479 7.265 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.142 -3.089 6.204 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.761 -4.250 7.595 1.00 0.00 C ATOM 73 CZ PHE A 4 4.252 -3.052 7.065 1.00 0.00 C ATOM 0 H PHE A 4 4.714 -7.709 5.297 1.00 0.00 H new ATOM 0 HA PHE A 4 2.045 -8.107 4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.379 -6.749 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.789 -7.597 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.731 -4.342 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.536 -6.394 7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.728 -2.169 5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.613 -4.226 8.258 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.711 -2.108 7.318 1.00 0.00 H new ATOM 83 N CYS A 5 3.693 -5.624 3.035 1.00 0.00 N ATOM 84 CA CYS A 5 3.712 -4.592 2.017 1.00 0.00 C ATOM 85 C CYS A 5 3.462 -5.195 0.622 1.00 0.00 C ATOM 86 O CYS A 5 3.029 -4.485 -0.277 1.00 0.00 O ATOM 87 CB CYS A 5 5.108 -3.936 2.081 1.00 0.00 C ATOM 88 SG CYS A 5 5.209 -2.135 2.082 1.00 0.00 S ATOM 0 H CYS A 5 4.623 -5.850 3.387 1.00 0.00 H new ATOM 0 HA CYS A 5 2.925 -3.859 2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.604 -4.297 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.686 -4.301 1.232 1.00 0.00 H new ATOM 93 N GLU A 6 3.698 -6.498 0.422 1.00 0.00 N ATOM 94 CA GLU A 6 3.532 -7.147 -0.888 1.00 0.00 C ATOM 95 C GLU A 6 2.149 -7.770 -1.098 1.00 0.00 C ATOM 96 O GLU A 6 1.950 -8.493 -2.080 1.00 0.00 O ATOM 97 CB GLU A 6 4.693 -8.135 -1.163 1.00 0.00 C ATOM 98 CG GLU A 6 4.500 -9.574 -0.660 1.00 0.00 C ATOM 99 CD GLU A 6 5.790 -10.389 -0.523 1.00 0.00 C ATOM 100 OE1 GLU A 6 6.815 -9.891 -0.005 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.744 -11.620 -0.781 1.00 0.00 O ATOM 0 H GLU A 6 4.008 -7.131 1.159 1.00 0.00 H new ATOM 0 HA GLU A 6 3.585 -6.359 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.865 -8.169 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.598 -7.733 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.004 -9.541 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.829 -10.095 -1.343 1.00 0.00 H new ATOM 108 N LEU A 7 1.206 -7.564 -0.170 1.00 0.00 N ATOM 109 CA LEU A 7 -0.132 -8.125 -0.278 1.00 0.00 C ATOM 110 C LEU A 7 -0.931 -7.371 -1.336 1.00 0.00 C ATOM 111 O LEU A 7 -0.530 -6.300 -1.796 1.00 0.00 O ATOM 112 CB LEU A 7 -0.846 -8.081 1.078 1.00 0.00 C ATOM 113 CG LEU A 7 -0.093 -8.765 2.232 1.00 0.00 C ATOM 114 CD1 LEU A 7 -1.000 -8.799 3.456 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.382 -10.188 1.969 1.00 0.00 C ATOM 0 H LEU A 7 1.355 -7.005 0.670 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.052 -9.169 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.021 -7.039 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.823 -8.552 0.972 1.00 0.00 H new ATOM 0 HG LEU A 7 0.808 -8.168 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.478 -9.282 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.266 -7.781 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.906 -9.359 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.899 -10.568 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.476 -10.823 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.064 -10.193 1.119 1.00 0.00 H new ATOM 127 N ALA A 8 -2.079 -7.935 -1.702 1.00 0.00 N ATOM 128 CA ALA A 8 -2.977 -7.375 -2.698 1.00 0.00 C ATOM 129 C ALA A 8 -4.109 -6.634 -1.975 1.00 0.00 C ATOM 130 O ALA A 8 -4.983 -7.291 -1.399 1.00 0.00 O ATOM 131 CB ALA A 8 -3.498 -8.483 -3.605 1.00 0.00 C ATOM 0 H ALA A 8 -2.414 -8.812 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.453 -6.662 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.171 -8.057 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.660 -8.966 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.037 -9.219 -3.008 1.00 0.00 H new ATOM 137 N PRO A 9 -4.114 -5.294 -1.948 1.00 0.00 N ATOM 138 CA PRO A 9 -5.120 -4.475 -1.289 1.00 0.00 C ATOM 139 C PRO A 9 -6.410 -4.344 -2.120 1.00 0.00 C ATOM 140 O PRO A 9 -6.741 -3.272 -2.637 1.00 0.00 O ATOM 141 CB PRO A 9 -4.407 -3.148 -1.056 1.00 0.00 C ATOM 142 CG PRO A 9 -3.547 -3.016 -2.307 1.00 0.00 C ATOM 143 CD PRO A 9 -3.125 -4.449 -2.580 1.00 0.00 C ATOM 0 HA PRO A 9 -5.477 -4.911 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.110 -2.321 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.804 -3.164 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.108 -2.594 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.688 -2.366 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.077 -4.642 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.132 -4.645 -2.176 1.00 0.00 H new ATOM 151 N SER A 10 -7.160 -5.437 -2.199 1.00 0.00 N ATOM 152 CA SER A 10 -8.411 -5.546 -2.934 1.00 0.00 C ATOM 153 C SER A 10 -9.506 -4.688 -2.287 1.00 0.00 C ATOM 154 O SER A 10 -10.175 -5.109 -1.343 1.00 0.00 O ATOM 155 CB SER A 10 -8.783 -7.028 -3.016 1.00 0.00 C ATOM 156 OG SER A 10 -9.517 -7.327 -4.188 1.00 0.00 O ATOM 0 H SER A 10 -6.901 -6.306 -1.733 1.00 0.00 H new ATOM 0 HA SER A 10 -8.298 -5.158 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.875 -7.631 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.371 -7.303 -2.140 1.00 0.00 H new ATOM 0 HG SER A 10 -9.734 -8.283 -4.203 1.00 0.00 H new ATOM 162 N ALA A 11 -9.681 -3.458 -2.770 1.00 0.00 N ATOM 163 CA ALA A 11 -10.672 -2.528 -2.248 1.00 0.00 C ATOM 164 C ALA A 11 -12.120 -2.982 -2.459 1.00 0.00 C ATOM 165 O ALA A 11 -13.011 -2.407 -1.848 1.00 0.00 O ATOM 166 CB ALA A 11 -10.462 -1.164 -2.910 1.00 0.00 C ATOM 0 H ALA A 11 -9.132 -3.079 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.524 -2.477 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.198 -0.457 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.459 -0.801 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.579 -1.262 -3.989 1.00 0.00 H new ATOM 172 N GLY A 12 -12.374 -4.003 -3.274 1.00 0.00 N ATOM 173 CA GLY A 12 -13.722 -4.480 -3.548 1.00 0.00 C ATOM 174 C GLY A 12 -14.285 -5.408 -2.483 1.00 0.00 C ATOM 175 O GLY A 12 -15.480 -5.705 -2.510 1.00 0.00 O ATOM 0 H GLY A 12 -11.646 -4.523 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.385 -3.621 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.723 -5.001 -4.505 1.00 0.00 H new ATOM 179 N SER A 13 -13.463 -5.845 -1.527 1.00 0.00 N ATOM 180 CA SER A 13 -13.872 -6.743 -0.454 1.00 0.00 C ATOM 181 C SER A 13 -14.929 -6.138 0.485 1.00 0.00 C ATOM 182 O SER A 13 -15.527 -6.856 1.282 1.00 0.00 O ATOM 183 CB SER A 13 -12.607 -7.203 0.271 1.00 0.00 C ATOM 184 OG SER A 13 -11.682 -7.742 -0.665 1.00 0.00 O ATOM 0 H SER A 13 -12.480 -5.579 -1.479 1.00 0.00 H new ATOM 0 HA SER A 13 -14.384 -7.606 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.155 -6.364 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.859 -7.954 1.020 1.00 0.00 H new ATOM 0 HG SER A 13 -11.134 -7.020 -1.036 1.00 0.00 H new ATOM 190 N CYS A 14 -15.153 -4.830 0.427 1.00 0.00 N ATOM 191 CA CYS A 14 -16.117 -4.060 1.195 1.00 0.00 C ATOM 192 C CYS A 14 -16.355 -2.846 0.311 1.00 0.00 C ATOM 193 O CYS A 14 -15.368 -2.302 -0.191 1.00 0.00 O ATOM 194 CB CYS A 14 -15.503 -3.616 2.521 1.00 0.00 C ATOM 195 SG CYS A 14 -16.562 -2.534 3.497 1.00 0.00 S ATOM 0 H CYS A 14 -14.621 -4.236 -0.210 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.022 -4.617 1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.262 -4.500 3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.563 -3.102 2.320 1.00 0.00 H new ATOM 200 N PHE A 15 -17.583 -2.346 0.169 1.00 0.00 N ATOM 201 CA PHE A 15 -17.750 -1.208 -0.718 1.00 0.00 C ATOM 202 C PHE A 15 -17.516 0.085 0.050 1.00 0.00 C ATOM 203 O PHE A 15 -18.305 0.463 0.918 1.00 0.00 O ATOM 204 CB PHE A 15 -19.163 -1.248 -1.322 1.00 0.00 C ATOM 205 CG PHE A 15 -19.500 -0.120 -2.282 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.832 1.164 -1.804 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.542 -0.367 -3.666 1.00 0.00 C ATOM 208 CE1 PHE A 15 -20.170 2.191 -2.698 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.929 0.647 -4.558 1.00 0.00 C ATOM 210 CZ PHE A 15 -20.237 1.929 -4.076 1.00 0.00 C ATOM 0 H PHE A 15 -18.427 -2.689 0.628 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.021 -1.253 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.288 -2.196 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.887 -1.236 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.826 1.359 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.275 -1.342 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -20.379 3.183 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.990 0.440 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.525 2.711 -4.763 1.00 0.00 H new ATOM 220 N ALA A 16 -16.363 0.697 -0.198 1.00 0.00 N ATOM 221 CA ALA A 16 -15.933 1.973 0.343 1.00 0.00 C ATOM 222 C ALA A 16 -14.985 2.599 -0.688 1.00 0.00 C ATOM 223 O ALA A 16 -14.361 1.871 -1.467 1.00 0.00 O ATOM 224 CB ALA A 16 -15.336 1.828 1.741 1.00 0.00 C ATOM 0 H ALA A 16 -15.665 0.288 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.778 2.644 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.027 2.807 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.083 1.407 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.471 1.166 1.700 1.00 0.00 H new ATOM 230 N PHE A 17 -14.829 3.922 -0.681 1.00 0.00 N ATOM 231 CA PHE A 17 -13.950 4.633 -1.605 1.00 0.00 C ATOM 232 C PHE A 17 -13.067 5.647 -0.885 1.00 0.00 C ATOM 233 O PHE A 17 -13.532 6.738 -0.537 1.00 0.00 O ATOM 234 CB PHE A 17 -14.795 5.275 -2.705 1.00 0.00 C ATOM 235 CG PHE A 17 -14.016 5.975 -3.806 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.844 5.401 -4.340 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.478 7.202 -4.323 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.133 6.062 -5.353 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.765 7.855 -5.343 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.584 7.295 -5.848 1.00 0.00 C ATOM 0 H PHE A 17 -15.315 4.536 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.264 3.921 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.416 4.503 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.469 5.998 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.493 4.450 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.384 7.642 -3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.233 5.619 -5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.129 8.792 -5.739 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.024 7.810 -6.614 1.00 0.00 H new ATOM 250 N VAL A 18 -11.816 5.284 -0.613 1.00 0.00 N ATOM 251 CA VAL A 18 -10.832 6.126 0.059 1.00 0.00 C ATOM 252 C VAL A 18 -9.473 5.982 -0.650 1.00 0.00 C ATOM 253 O VAL A 18 -8.944 4.870 -0.689 1.00 0.00 O ATOM 254 CB VAL A 18 -10.779 5.786 1.567 1.00 0.00 C ATOM 255 CG1 VAL A 18 -12.005 6.363 2.291 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.732 4.279 1.871 1.00 0.00 C ATOM 0 H VAL A 18 -11.448 4.366 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.118 7.176 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.850 6.232 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.952 6.115 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.021 7.446 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.913 5.938 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.696 4.126 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.622 3.798 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.844 3.843 1.413 1.00 0.00 H new ATOM 266 N PRO A 19 -8.884 7.034 -1.248 1.00 0.00 N ATOM 267 CA PRO A 19 -7.592 6.908 -1.906 1.00 0.00 C ATOM 268 C PRO A 19 -6.548 6.597 -0.844 1.00 0.00 C ATOM 269 O PRO A 19 -6.473 7.289 0.174 1.00 0.00 O ATOM 270 CB PRO A 19 -7.295 8.245 -2.587 1.00 0.00 C ATOM 271 CG PRO A 19 -8.206 9.242 -1.875 1.00 0.00 C ATOM 272 CD PRO A 19 -9.356 8.405 -1.309 1.00 0.00 C ATOM 0 HA PRO A 19 -7.584 6.111 -2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.246 8.520 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.509 8.203 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.672 9.765 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.574 10.001 -2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.642 8.760 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.239 8.482 -1.943 1.00 0.00 H new ATOM 280 N SER A 20 -5.767 5.545 -1.046 1.00 0.00 N ATOM 281 CA SER A 20 -4.720 5.156 -0.116 1.00 0.00 C ATOM 282 C SER A 20 -3.429 4.895 -0.913 1.00 0.00 C ATOM 283 O SER A 20 -3.382 5.170 -2.110 1.00 0.00 O ATOM 284 CB SER A 20 -5.316 4.037 0.712 1.00 0.00 C ATOM 285 OG SER A 20 -4.632 3.675 1.890 1.00 0.00 O ATOM 0 H SER A 20 -5.843 4.937 -1.861 1.00 0.00 H new ATOM 0 HA SER A 20 -4.396 5.909 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.332 4.322 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.392 3.152 0.080 1.00 0.00 H new ATOM 0 HG SER A 20 -3.844 4.247 2.000 1.00 0.00 H new ATOM 291 N TYR A 21 -2.351 4.423 -0.285 1.00 0.00 N ATOM 292 CA TYR A 21 -1.071 4.200 -0.969 1.00 0.00 C ATOM 293 C TYR A 21 -0.677 2.724 -1.115 1.00 0.00 C ATOM 294 O TYR A 21 -0.792 1.970 -0.147 1.00 0.00 O ATOM 295 CB TYR A 21 -0.025 4.984 -0.198 1.00 0.00 C ATOM 296 CG TYR A 21 0.332 6.381 -0.677 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.313 6.617 -1.672 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.276 7.472 -0.034 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.655 7.929 -2.036 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.098 8.786 -0.350 1.00 0.00 C ATOM 301 CZ TYR A 21 1.070 9.015 -1.349 1.00 0.00 C ATOM 302 OH TYR A 21 1.487 10.277 -1.622 1.00 0.00 O ATOM 0 H TYR A 21 -2.337 4.185 0.707 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.158 4.544 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.365 5.064 0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.891 4.393 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.801 5.782 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.039 7.297 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.360 8.106 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.355 9.619 0.168 1.00 0.00 H new ATOM 0 HH TYR A 21 0.988 10.913 -1.068 1.00 0.00 H new ATOM 312 N TYR A 22 -0.193 2.334 -2.309 1.00 0.00 N ATOM 313 CA TYR A 22 0.228 0.980 -2.705 1.00 0.00 C ATOM 314 C TYR A 22 1.745 0.823 -2.843 1.00 0.00 C ATOM 315 O TYR A 22 2.382 1.634 -3.512 1.00 0.00 O ATOM 316 CB TYR A 22 -0.337 0.701 -4.110 1.00 0.00 C ATOM 317 CG TYR A 22 -0.423 -0.751 -4.509 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.728 -1.434 -4.931 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.668 -1.395 -4.559 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.651 -2.769 -5.351 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.758 -2.716 -5.027 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.596 -3.424 -5.409 1.00 0.00 C ATOM 323 OH TYR A 22 -0.663 -4.713 -5.833 1.00 0.00 O ATOM 0 H TYR A 22 -0.079 3.001 -3.072 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.130 0.306 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.335 1.134 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.283 1.222 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.681 -0.927 -4.932 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.558 -0.875 -4.237 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.550 -3.298 -5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.724 -3.195 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.595 -5.016 -5.813 1.00 0.00 H new ATOM 333 N TYR A 23 2.343 -0.193 -2.240 1.00 0.00 N ATOM 334 CA TYR A 23 3.788 -0.453 -2.341 1.00 0.00 C ATOM 335 C TYR A 23 4.076 -1.314 -3.571 1.00 0.00 C ATOM 336 O TYR A 23 3.406 -2.334 -3.752 1.00 0.00 O ATOM 337 CB TYR A 23 4.281 -1.222 -1.118 1.00 0.00 C ATOM 338 CG TYR A 23 5.711 -1.729 -1.220 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.799 -0.841 -1.292 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.954 -3.112 -1.216 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.117 -1.327 -1.294 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.267 -3.600 -1.171 1.00 0.00 C ATOM 343 CZ TYR A 23 8.356 -2.715 -1.245 1.00 0.00 C ATOM 344 OH TYR A 23 9.620 -3.208 -1.251 1.00 0.00 O ATOM 0 H TYR A 23 1.845 -0.869 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 23 4.296 0.509 -2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.200 -0.577 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.620 -2.072 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.620 0.223 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.125 -3.803 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.947 -0.637 -1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.443 -4.662 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 23 10.219 -2.578 -0.798 1.00 0.00 H new ATOM 354 N ASN A 24 5.072 -0.949 -4.387 1.00 0.00 N ATOM 355 CA ASN A 24 5.449 -1.698 -5.583 1.00 0.00 C ATOM 356 C ASN A 24 6.928 -2.070 -5.509 1.00 0.00 C ATOM 357 O ASN A 24 7.786 -1.341 -6.018 1.00 0.00 O ATOM 358 CB ASN A 24 5.149 -0.907 -6.865 1.00 0.00 C ATOM 359 CG ASN A 24 3.660 -0.720 -7.082 1.00 0.00 C ATOM 360 OD1 ASN A 24 2.949 -1.646 -7.450 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.144 0.470 -6.847 1.00 0.00 N ATOM 0 H ASN A 24 5.642 -0.117 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 24 4.851 -2.608 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.633 0.068 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.577 -1.428 -7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.144 0.626 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.745 1.235 -6.541 1.00 0.00 H new ATOM 368 N GLN A 25 7.240 -3.222 -4.903 1.00 0.00 N ATOM 369 CA GLN A 25 8.611 -3.721 -4.777 1.00 0.00 C ATOM 370 C GLN A 25 9.288 -3.815 -6.144 1.00 0.00 C ATOM 371 O GLN A 25 10.485 -3.547 -6.209 1.00 0.00 O ATOM 372 CB GLN A 25 8.723 -5.083 -4.058 1.00 0.00 C ATOM 373 CG GLN A 25 7.721 -6.177 -4.454 1.00 0.00 C ATOM 374 CD GLN A 25 6.359 -5.962 -3.806 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.210 -6.039 -2.599 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.340 -5.619 -4.565 1.00 0.00 N ATOM 0 H GLN A 25 6.542 -3.837 -4.484 1.00 0.00 H new ATOM 0 HA GLN A 25 9.122 -2.989 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.728 -5.470 -4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.624 -4.907 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.609 -6.191 -5.538 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.113 -7.151 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.457 -5.552 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.433 -5.420 -4.142 1.00 0.00 H new ATOM 385 N TYR A 26 8.539 -4.112 -7.216 1.00 0.00 N ATOM 386 CA TYR A 26 9.053 -4.228 -8.578 1.00 0.00 C ATOM 387 C TYR A 26 9.897 -3.015 -8.974 1.00 0.00 C ATOM 388 O TYR A 26 10.951 -3.193 -9.584 1.00 0.00 O ATOM 389 CB TYR A 26 7.894 -4.380 -9.575 1.00 0.00 C ATOM 390 CG TYR A 26 7.024 -5.607 -9.393 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.563 -6.887 -9.624 1.00 0.00 C ATOM 392 CD2 TYR A 26 5.672 -5.475 -9.026 1.00 0.00 C ATOM 393 CE1 TYR A 26 6.765 -8.034 -9.479 1.00 0.00 C ATOM 394 CE2 TYR A 26 4.869 -6.618 -8.882 1.00 0.00 C ATOM 395 CZ TYR A 26 5.409 -7.900 -9.108 1.00 0.00 C ATOM 396 OH TYR A 26 4.640 -8.995 -8.870 1.00 0.00 O ATOM 0 H TYR A 26 7.535 -4.281 -7.152 1.00 0.00 H new ATOM 0 HA TYR A 26 9.688 -5.113 -8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.261 -3.495 -9.505 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.307 -4.397 -10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.598 -6.988 -9.915 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.252 -4.495 -8.855 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.186 -9.013 -9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.833 -6.514 -8.597 1.00 0.00 H new ATOM 0 HH TYR A 26 3.734 -8.712 -8.626 1.00 0.00 H new ATOM 406 N SER A 27 9.453 -1.808 -8.601 1.00 0.00 N ATOM 407 CA SER A 27 10.131 -0.552 -8.908 1.00 0.00 C ATOM 408 C SER A 27 10.781 0.080 -7.669 1.00 0.00 C ATOM 409 O SER A 27 11.280 1.206 -7.741 1.00 0.00 O ATOM 410 CB SER A 27 9.138 0.383 -9.613 1.00 0.00 C ATOM 411 OG SER A 27 9.792 1.417 -10.329 1.00 0.00 O ATOM 0 H SER A 27 8.594 -1.680 -8.066 1.00 0.00 H new ATOM 0 HA SER A 27 10.964 -0.746 -9.584 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.520 -0.197 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.468 0.823 -8.874 1.00 0.00 H new ATOM 0 HG SER A 27 10.522 1.781 -9.785 1.00 0.00 H new ATOM 417 N ASN A 28 10.802 -0.633 -6.537 1.00 0.00 N ATOM 418 CA ASN A 28 11.382 -0.191 -5.273 1.00 0.00 C ATOM 419 C ASN A 28 10.860 1.202 -4.895 1.00 0.00 C ATOM 420 O ASN A 28 11.626 2.132 -4.660 1.00 0.00 O ATOM 421 CB ASN A 28 12.919 -0.297 -5.382 1.00 0.00 C ATOM 422 CG ASN A 28 13.688 0.068 -4.119 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.512 0.976 -4.132 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.521 -0.669 -3.030 1.00 0.00 N ATOM 0 H ASN A 28 10.399 -1.568 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 28 11.074 -0.832 -4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.177 -1.318 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.255 0.351 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.079 -0.482 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.834 -1.423 -3.025 1.00 0.00 H new ATOM 431 N THR A 29 9.537 1.380 -4.907 1.00 0.00 N ATOM 432 CA THR A 29 8.881 2.635 -4.548 1.00 0.00 C ATOM 433 C THR A 29 7.427 2.326 -4.152 1.00 0.00 C ATOM 434 O THR A 29 7.056 1.157 -3.989 1.00 0.00 O ATOM 435 CB THR A 29 9.060 3.706 -5.645 1.00 0.00 C ATOM 436 OG1 THR A 29 8.688 4.974 -5.132 1.00 0.00 O ATOM 437 CG2 THR A 29 8.266 3.400 -6.907 1.00 0.00 C ATOM 0 H THR A 29 8.883 0.643 -5.171 1.00 0.00 H new ATOM 0 HA THR A 29 9.354 3.091 -3.678 1.00 0.00 H new ATOM 0 HB THR A 29 10.112 3.706 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.803 5.655 -5.827 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.432 4.188 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.592 2.445 -7.319 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.204 3.347 -6.665 1.00 0.00 H new ATOM 445 N CYS A 30 6.609 3.354 -3.927 1.00 0.00 N ATOM 446 CA CYS A 30 5.219 3.246 -3.553 1.00 0.00 C ATOM 447 C CYS A 30 4.438 4.294 -4.364 1.00 0.00 C ATOM 448 O CYS A 30 5.012 5.312 -4.755 1.00 0.00 O ATOM 449 CB CYS A 30 5.105 3.408 -2.032 1.00 0.00 C ATOM 450 SG CYS A 30 6.426 2.916 -0.898 1.00 0.00 S ATOM 0 H CYS A 30 6.921 4.322 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 30 4.788 2.272 -3.785 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.911 4.464 -1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.213 2.861 -1.727 1.00 0.00 H new ATOM 455 N HIS A 31 3.141 4.081 -4.610 1.00 0.00 N ATOM 456 CA HIS A 31 2.300 4.974 -5.388 1.00 0.00 C ATOM 457 C HIS A 31 0.852 4.919 -4.912 1.00 0.00 C ATOM 458 O HIS A 31 0.360 3.849 -4.556 1.00 0.00 O ATOM 459 CB HIS A 31 2.390 4.472 -6.832 1.00 0.00 C ATOM 460 CG HIS A 31 2.042 5.488 -7.878 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.142 5.326 -8.904 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.658 6.694 -8.039 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.199 6.423 -9.673 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.109 7.289 -9.184 1.00 0.00 N ATOM 0 H HIS A 31 2.643 3.262 -4.262 1.00 0.00 H new ATOM 0 HA HIS A 31 2.629 6.008 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.404 4.117 -7.015 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.727 3.614 -6.945 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.425 7.112 -7.404 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.602 6.589 -10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.351 8.201 -9.572 1.00 0.00 H new ATOM 472 N SER A 32 0.136 6.040 -4.928 1.00 0.00 N ATOM 473 CA SER A 32 -1.258 6.087 -4.506 1.00 0.00 C ATOM 474 C SER A 32 -2.143 5.232 -5.415 1.00 0.00 C ATOM 475 O SER A 32 -1.909 5.138 -6.623 1.00 0.00 O ATOM 476 CB SER A 32 -1.753 7.510 -4.599 1.00 0.00 C ATOM 477 OG SER A 32 -1.117 8.390 -3.698 1.00 0.00 O ATOM 0 H SER A 32 0.507 6.940 -5.234 1.00 0.00 H new ATOM 0 HA SER A 32 -1.312 5.708 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.602 7.873 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.827 7.525 -4.412 1.00 0.00 H new ATOM 0 HG SER A 32 -0.308 7.966 -3.343 1.00 0.00 H new ATOM 483 N PHE A 33 -3.180 4.635 -4.838 1.00 0.00 N ATOM 484 CA PHE A 33 -4.174 3.784 -5.489 1.00 0.00 C ATOM 485 C PHE A 33 -5.527 3.940 -4.758 1.00 0.00 C ATOM 486 O PHE A 33 -5.655 4.769 -3.854 1.00 0.00 O ATOM 487 CB PHE A 33 -3.681 2.334 -5.568 1.00 0.00 C ATOM 488 CG PHE A 33 -3.950 1.562 -4.304 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.289 1.937 -3.128 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.877 0.505 -4.281 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.525 1.250 -1.945 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.147 -0.149 -3.070 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.468 0.227 -1.905 1.00 0.00 C ATOM 0 H PHE A 33 -3.362 4.738 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.325 4.097 -6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.167 1.834 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.610 2.329 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.594 2.763 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.377 0.199 -5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.975 1.510 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.879 -0.943 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.676 -0.278 -0.973 1.00 0.00 H new ATOM 503 N THR A 34 -6.572 3.231 -5.182 1.00 0.00 N ATOM 504 CA THR A 34 -7.896 3.324 -4.550 1.00 0.00 C ATOM 505 C THR A 34 -8.079 2.209 -3.519 1.00 0.00 C ATOM 506 O THR A 34 -7.849 1.033 -3.823 1.00 0.00 O ATOM 507 CB THR A 34 -9.022 3.345 -5.599 1.00 0.00 C ATOM 508 OG1 THR A 34 -9.003 2.213 -6.440 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.895 4.580 -6.490 1.00 0.00 C ATOM 0 H THR A 34 -6.531 2.580 -5.966 1.00 0.00 H new ATOM 0 HA THR A 34 -7.956 4.273 -4.017 1.00 0.00 H new ATOM 0 HB THR A 34 -9.956 3.354 -5.037 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.737 2.273 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.698 4.581 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.963 5.479 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.933 4.562 -7.002 1.00 0.00 H new ATOM 517 N TYR A 35 -8.464 2.571 -2.290 1.00 0.00 N ATOM 518 CA TYR A 35 -8.692 1.630 -1.200 1.00 0.00 C ATOM 519 C TYR A 35 -10.135 1.732 -0.684 1.00 0.00 C ATOM 520 O TYR A 35 -10.906 2.578 -1.141 1.00 0.00 O ATOM 521 CB TYR A 35 -7.629 1.752 -0.113 1.00 0.00 C ATOM 522 CG TYR A 35 -7.510 0.578 0.855 1.00 0.00 C ATOM 523 CD1 TYR A 35 -6.954 -0.644 0.424 1.00 0.00 C ATOM 524 CD2 TYR A 35 -7.867 0.724 2.210 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.664 -1.662 1.347 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.648 -0.330 3.122 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.022 -1.520 2.701 1.00 0.00 C ATOM 528 OH TYR A 35 -6.686 -2.474 3.611 1.00 0.00 O ATOM 0 H TYR A 35 -8.627 3.543 -2.026 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.582 0.616 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.662 1.896 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.834 2.653 0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.749 -0.798 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.311 1.647 2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.163 -2.560 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.962 -0.224 4.150 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.828 -2.877 3.361 1.00 0.00 H new ATOM 538 N SER A 36 -10.485 0.891 0.292 1.00 0.00 N ATOM 539 CA SER A 36 -11.807 0.816 0.903 1.00 0.00 C ATOM 540 C SER A 36 -11.734 1.026 2.424 1.00 0.00 C ATOM 541 O SER A 36 -12.506 1.809 2.979 1.00 0.00 O ATOM 542 CB SER A 36 -12.410 -0.520 0.441 1.00 0.00 C ATOM 543 OG SER A 36 -13.423 -1.056 1.256 1.00 0.00 O ATOM 0 H SER A 36 -9.828 0.220 0.691 1.00 0.00 H new ATOM 0 HA SER A 36 -12.470 1.620 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.812 -0.386 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.606 -1.252 0.367 1.00 0.00 H new ATOM 0 HG SER A 36 -14.038 -1.586 0.707 1.00 0.00 H new ATOM 549 N GLY A 37 -10.761 0.431 3.115 1.00 0.00 N ATOM 550 CA GLY A 37 -10.614 0.563 4.561 1.00 0.00 C ATOM 551 C GLY A 37 -11.109 -0.745 5.135 1.00 0.00 C ATOM 552 O GLY A 37 -10.305 -1.575 5.557 1.00 0.00 O ATOM 0 H GLY A 37 -10.050 -0.159 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.575 0.744 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.195 1.404 4.940 1.00 0.00 H new ATOM 556 N CYS A 38 -12.425 -0.942 5.139 1.00 0.00 N ATOM 557 CA CYS A 38 -13.037 -2.175 5.619 1.00 0.00 C ATOM 558 C CYS A 38 -12.670 -3.328 4.664 1.00 0.00 C ATOM 559 O CYS A 38 -12.660 -4.494 5.063 1.00 0.00 O ATOM 560 CB CYS A 38 -14.553 -1.979 5.722 1.00 0.00 C ATOM 561 SG CYS A 38 -15.313 -1.150 4.297 1.00 0.00 S ATOM 0 H CYS A 38 -13.097 -0.249 4.809 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.664 -2.429 6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.023 -2.954 5.850 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.770 -1.400 6.620 1.00 0.00 H new ATOM 566 N GLY A 39 -12.355 -3.013 3.403 1.00 0.00 N ATOM 567 CA GLY A 39 -11.961 -3.941 2.360 1.00 0.00 C ATOM 568 C GLY A 39 -10.500 -3.681 2.015 1.00 0.00 C ATOM 569 O GLY A 39 -10.032 -2.538 2.100 1.00 0.00 O ATOM 0 H GLY A 39 -12.372 -2.048 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.095 -4.969 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.588 -3.810 1.478 1.00 0.00 H new ATOM 573 N GLY A 40 -9.806 -4.729 1.578 1.00 0.00 N ATOM 574 CA GLY A 40 -8.402 -4.704 1.210 1.00 0.00 C ATOM 575 C GLY A 40 -7.523 -5.350 2.282 1.00 0.00 C ATOM 576 O GLY A 40 -8.000 -5.751 3.342 1.00 0.00 O ATOM 0 H GLY A 40 -10.227 -5.652 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.265 -5.227 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.086 -3.673 1.053 1.00 0.00 H new ATOM 580 N ASN A 41 -6.215 -5.419 2.010 1.00 0.00 N ATOM 581 CA ASN A 41 -5.197 -6.034 2.875 1.00 0.00 C ATOM 582 C ASN A 41 -4.148 -5.058 3.404 1.00 0.00 C ATOM 583 O ASN A 41 -4.190 -3.866 3.084 1.00 0.00 O ATOM 584 CB ASN A 41 -4.549 -7.211 2.132 1.00 0.00 C ATOM 585 CG ASN A 41 -5.572 -8.331 1.989 1.00 0.00 C ATOM 586 OD1 ASN A 41 -6.416 -8.313 1.098 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.555 -9.284 2.902 1.00 0.00 N ATOM 0 H ASN A 41 -5.820 -5.035 1.151 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.710 -6.392 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.202 -6.891 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.676 -7.566 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.253 -10.027 2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.843 -9.278 3.633 1.00 0.00 H new ATOM 594 N ALA A 42 -3.165 -5.600 4.141 1.00 0.00 N ATOM 595 CA ALA A 42 -2.060 -4.912 4.801 1.00 0.00 C ATOM 596 C ALA A 42 -1.164 -4.043 3.920 1.00 0.00 C ATOM 597 O ALA A 42 -0.433 -3.237 4.490 1.00 0.00 O ATOM 598 CB ALA A 42 -1.219 -5.880 5.632 1.00 0.00 C ATOM 0 H ALA A 42 -3.125 -6.607 4.299 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.567 -4.196 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.404 -5.336 6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.845 -6.342 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.807 -6.653 4.984 1.00 0.00 H new ATOM 604 N ASN A 43 -1.206 -4.150 2.578 1.00 0.00 N ATOM 605 CA ASN A 43 -0.390 -3.258 1.727 1.00 0.00 C ATOM 606 C ASN A 43 -0.875 -1.796 1.914 1.00 0.00 C ATOM 607 O ASN A 43 -0.250 -0.837 1.470 1.00 0.00 O ATOM 608 CB ASN A 43 -0.441 -3.723 0.262 1.00 0.00 C ATOM 609 CG ASN A 43 0.371 -2.874 -0.725 1.00 0.00 C ATOM 610 OD1 ASN A 43 1.235 -2.081 -0.384 1.00 0.00 O ATOM 611 ND2 ASN A 43 0.108 -3.022 -2.010 1.00 0.00 N ATOM 0 H ASN A 43 -1.778 -4.824 2.070 1.00 0.00 H new ATOM 0 HA ASN A 43 0.657 -3.301 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.082 -4.751 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.481 -3.732 -0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.623 -2.478 -2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.611 -3.680 -2.311 1.00 0.00 H new ATOM 618 N ARG A 44 -1.952 -1.592 2.679 1.00 0.00 N ATOM 619 CA ARG A 44 -2.493 -0.283 2.953 1.00 0.00 C ATOM 620 C ARG A 44 -1.580 0.511 3.874 1.00 0.00 C ATOM 621 O ARG A 44 -1.115 0.011 4.901 1.00 0.00 O ATOM 622 CB ARG A 44 -3.838 -0.417 3.687 1.00 0.00 C ATOM 623 CG ARG A 44 -4.586 0.917 3.635 1.00 0.00 C ATOM 624 CD ARG A 44 -5.223 1.544 4.852 1.00 0.00 C ATOM 625 NE ARG A 44 -6.019 2.680 4.357 1.00 0.00 N ATOM 626 CZ ARG A 44 -7.141 3.165 4.896 1.00 0.00 C ATOM 627 NH1 ARG A 44 -7.623 2.648 6.017 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.785 4.157 4.294 1.00 0.00 N ATOM 0 H ARG A 44 -2.470 -2.349 3.125 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.601 0.224 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.439 -1.201 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.671 -0.712 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.885 1.651 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.378 0.801 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.853 0.825 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.465 1.879 5.560 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.678 3.145 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.137 1.876 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.480 3.022 6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.423 4.546 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.642 4.530 4.702 1.00 0.00 H new ATOM 642 N PHE A 45 -1.404 1.774 3.509 1.00 0.00 N ATOM 643 CA PHE A 45 -0.624 2.783 4.193 1.00 0.00 C ATOM 644 C PHE A 45 -1.330 4.127 4.010 1.00 0.00 C ATOM 645 O PHE A 45 -2.334 4.252 3.303 1.00 0.00 O ATOM 646 CB PHE A 45 0.783 2.852 3.606 1.00 0.00 C ATOM 647 CG PHE A 45 1.787 1.885 4.174 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.547 2.241 5.304 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.004 0.655 3.538 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.523 1.361 5.795 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.975 -0.225 4.028 1.00 0.00 C ATOM 652 CZ PHE A 45 3.740 0.131 5.149 1.00 0.00 C ATOM 0 H PHE A 45 -1.838 2.142 2.662 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.539 2.537 5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.715 2.683 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.164 3.864 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.379 3.190 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.421 0.386 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.105 1.627 6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.135 -1.177 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.499 -0.543 5.518 1.00 0.00 H new ATOM 662 N ARG A 46 -0.782 5.156 4.651 1.00 0.00 N ATOM 663 CA ARG A 46 -1.286 6.523 4.631 1.00 0.00 C ATOM 664 C ARG A 46 -0.349 7.483 3.905 1.00 0.00 C ATOM 665 O ARG A 46 -0.777 8.590 3.596 1.00 0.00 O ATOM 666 CB ARG A 46 -1.644 6.978 6.061 1.00 0.00 C ATOM 667 CG ARG A 46 -0.785 6.414 7.212 1.00 0.00 C ATOM 668 CD ARG A 46 0.725 6.651 7.090 1.00 0.00 C ATOM 669 NE ARG A 46 1.046 8.085 7.069 1.00 0.00 N ATOM 670 CZ ARG A 46 1.427 8.812 8.124 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.583 8.278 9.323 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.668 10.101 7.985 1.00 0.00 N ATOM 0 H ARG A 46 0.058 5.055 5.220 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.205 6.541 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.584 8.066 6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.683 6.710 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.129 6.854 8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.962 5.341 7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.238 6.175 7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.096 6.181 6.179 1.00 0.00 H new ATOM 0 HE ARG A 46 0.972 8.567 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.411 7.282 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.875 8.861 10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.564 10.544 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.959 10.655 8.790 1.00 0.00 H new ATOM 686 N THR A 47 0.911 7.116 3.667 1.00 0.00 N ATOM 687 CA THR A 47 1.846 7.974 2.957 1.00 0.00 C ATOM 688 C THR A 47 3.035 7.174 2.447 1.00 0.00 C ATOM 689 O THR A 47 3.529 6.268 3.133 1.00 0.00 O ATOM 690 CB THR A 47 2.351 9.124 3.851 1.00 0.00 C ATOM 691 OG1 THR A 47 3.022 10.038 3.014 1.00 0.00 O ATOM 692 CG2 THR A 47 3.308 8.616 4.937 1.00 0.00 C ATOM 0 H THR A 47 1.305 6.222 3.960 1.00 0.00 H new ATOM 0 HA THR A 47 1.308 8.401 2.111 1.00 0.00 H new ATOM 0 HB THR A 47 1.508 9.592 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.665 10.555 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.643 9.454 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.792 7.892 5.567 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.170 8.140 4.469 1.00 0.00 H new ATOM 700 N ILE A 48 3.534 7.555 1.272 1.00 0.00 N ATOM 701 CA ILE A 48 4.699 6.938 0.663 1.00 0.00 C ATOM 702 C ILE A 48 5.902 7.112 1.602 1.00 0.00 C ATOM 703 O ILE A 48 6.799 6.284 1.579 1.00 0.00 O ATOM 704 CB ILE A 48 4.949 7.518 -0.750 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.293 7.001 -1.302 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.863 9.059 -0.806 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.538 7.348 -2.768 1.00 0.00 C ATOM 0 H ILE A 48 3.133 8.309 0.715 1.00 0.00 H new ATOM 0 HA ILE A 48 4.532 5.870 0.525 1.00 0.00 H new ATOM 0 HB ILE A 48 4.142 7.163 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.103 7.414 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.329 5.918 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.049 9.397 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.869 9.380 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.610 9.490 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.503 6.949 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.750 6.912 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.536 8.431 -2.891 1.00 0.00 H new ATOM 719 N ASP A 49 5.909 8.116 2.480 1.00 0.00 N ATOM 720 CA ASP A 49 7.017 8.366 3.403 1.00 0.00 C ATOM 721 C ASP A 49 7.189 7.224 4.406 1.00 0.00 C ATOM 722 O ASP A 49 8.300 6.934 4.831 1.00 0.00 O ATOM 723 CB ASP A 49 6.849 9.692 4.161 1.00 0.00 C ATOM 724 CG ASP A 49 6.240 10.827 3.343 1.00 0.00 C ATOM 725 OD1 ASP A 49 6.732 11.149 2.237 1.00 0.00 O ATOM 726 OD2 ASP A 49 5.220 11.384 3.810 1.00 0.00 O ATOM 0 H ASP A 49 5.142 8.782 2.571 1.00 0.00 H new ATOM 0 HA ASP A 49 7.914 8.431 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.222 9.517 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.825 10.011 4.527 1.00 0.00 H new ATOM 731 N GLU A 50 6.089 6.598 4.831 1.00 0.00 N ATOM 732 CA GLU A 50 6.078 5.500 5.777 1.00 0.00 C ATOM 733 C GLU A 50 6.335 4.224 5.000 1.00 0.00 C ATOM 734 O GLU A 50 7.117 3.380 5.434 1.00 0.00 O ATOM 735 CB GLU A 50 4.711 5.405 6.469 1.00 0.00 C ATOM 736 CG GLU A 50 4.477 6.508 7.510 1.00 0.00 C ATOM 737 CD GLU A 50 5.454 6.428 8.678 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.450 5.398 9.391 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.208 7.403 8.885 1.00 0.00 O ATOM 0 H GLU A 50 5.156 6.856 4.511 1.00 0.00 H new ATOM 0 HA GLU A 50 6.840 5.656 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.926 5.455 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.625 4.433 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.570 7.482 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.457 6.435 7.888 1.00 0.00 H new ATOM 746 N CYS A 51 5.684 4.096 3.841 1.00 0.00 N ATOM 747 CA CYS A 51 5.845 2.918 3.021 1.00 0.00 C ATOM 748 C CYS A 51 7.279 2.743 2.548 1.00 0.00 C ATOM 749 O CYS A 51 7.835 1.652 2.631 1.00 0.00 O ATOM 750 CB CYS A 51 4.916 2.944 1.811 1.00 0.00 C ATOM 751 SG CYS A 51 5.369 1.812 0.473 1.00 0.00 S ATOM 0 H CYS A 51 5.047 4.796 3.461 1.00 0.00 H new ATOM 0 HA CYS A 51 5.582 2.071 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.906 2.705 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.889 3.959 1.414 1.00 0.00 H new ATOM 756 N ASN A 52 7.875 3.803 2.012 1.00 0.00 N ATOM 757 CA ASN A 52 9.223 3.725 1.505 1.00 0.00 C ATOM 758 C ASN A 52 10.175 3.500 2.665 1.00 0.00 C ATOM 759 O ASN A 52 10.920 2.528 2.636 1.00 0.00 O ATOM 760 CB ASN A 52 9.583 4.877 0.551 1.00 0.00 C ATOM 761 CG ASN A 52 10.328 6.000 1.226 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.527 5.903 1.472 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.598 7.040 1.558 1.00 0.00 N ATOM 0 H ASN A 52 7.439 4.721 1.922 1.00 0.00 H new ATOM 0 HA ASN A 52 9.320 2.860 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.190 4.487 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.669 5.272 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.024 7.826 2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.605 7.061 1.325 1.00 0.00 H new ATOM 770 N ARG A 53 10.074 4.269 3.749 1.00 0.00 N ATOM 771 CA ARG A 53 10.993 4.051 4.860 1.00 0.00 C ATOM 772 C ARG A 53 10.912 2.640 5.455 1.00 0.00 C ATOM 773 O ARG A 53 11.906 2.155 5.996 1.00 0.00 O ATOM 774 CB ARG A 53 10.878 5.175 5.893 1.00 0.00 C ATOM 775 CG ARG A 53 9.762 5.028 6.930 1.00 0.00 C ATOM 776 CD ARG A 53 9.639 6.312 7.762 1.00 0.00 C ATOM 777 NE ARG A 53 10.838 6.533 8.588 1.00 0.00 N ATOM 778 CZ ARG A 53 11.064 6.019 9.803 1.00 0.00 C ATOM 779 NH1 ARG A 53 10.146 5.276 10.411 1.00 0.00 N ATOM 780 NH2 ARG A 53 12.207 6.258 10.430 1.00 0.00 N ATOM 0 H ARG A 53 9.394 5.018 3.879 1.00 0.00 H new ATOM 0 HA ARG A 53 12.005 4.100 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.828 5.253 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.730 6.115 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.816 4.818 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.972 4.181 7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.490 7.164 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.760 6.249 8.403 1.00 0.00 H new ATOM 0 HE ARG A 53 11.564 7.134 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.254 5.090 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.333 4.891 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.921 6.837 9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.373 5.863 11.356 1.00 0.00 H new ATOM 794 N THR A 54 9.767 1.956 5.355 1.00 0.00 N ATOM 795 CA THR A 54 9.610 0.610 5.890 1.00 0.00 C ATOM 796 C THR A 54 9.774 -0.523 4.859 1.00 0.00 C ATOM 797 O THR A 54 10.124 -1.629 5.275 1.00 0.00 O ATOM 798 CB THR A 54 8.293 0.551 6.677 1.00 0.00 C ATOM 799 OG1 THR A 54 8.377 -0.458 7.665 1.00 0.00 O ATOM 800 CG2 THR A 54 7.052 0.314 5.818 1.00 0.00 C ATOM 0 H THR A 54 8.930 2.323 4.902 1.00 0.00 H new ATOM 0 HA THR A 54 10.442 0.416 6.567 1.00 0.00 H new ATOM 0 HB THR A 54 8.168 1.537 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.537 -0.494 8.168 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.168 0.287 6.455 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.952 1.122 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.149 -0.636 5.292 1.00 0.00 H new ATOM 808 N CYS A 55 9.584 -0.288 3.552 1.00 0.00 N ATOM 809 CA CYS A 55 9.678 -1.322 2.518 1.00 0.00 C ATOM 810 C CYS A 55 10.597 -0.986 1.336 1.00 0.00 C ATOM 811 O CYS A 55 10.941 -1.875 0.563 1.00 0.00 O ATOM 812 CB CYS A 55 8.265 -1.638 1.981 1.00 0.00 C ATOM 813 SG CYS A 55 6.899 -1.766 3.166 1.00 0.00 S ATOM 0 H CYS A 55 9.359 0.636 3.182 1.00 0.00 H new ATOM 0 HA CYS A 55 10.132 -2.182 3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.005 -0.866 1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.320 -2.580 1.436 1.00 0.00 H new ATOM 818 N VAL A 56 10.953 0.266 1.100 1.00 0.00 N ATOM 819 CA VAL A 56 11.837 0.646 -0.003 1.00 0.00 C ATOM 820 C VAL A 56 13.258 0.572 0.536 1.00 0.00 C ATOM 821 O VAL A 56 13.813 1.552 1.045 1.00 0.00 O ATOM 822 CB VAL A 56 11.429 2.003 -0.589 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.419 2.649 -1.553 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.074 1.850 -1.301 1.00 0.00 C ATOM 0 H VAL A 56 10.639 1.054 1.667 1.00 0.00 H new ATOM 0 HA VAL A 56 11.762 -0.031 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 56 11.388 2.677 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.020 3.602 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.367 2.817 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.578 1.990 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.774 2.810 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.164 1.115 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.323 1.517 -0.585 1.00 0.00 H new ATOM 834 N GLY A 57 13.803 -0.643 0.472 1.00 0.00 N ATOM 835 CA GLY A 57 15.152 -0.933 0.912 1.00 0.00 C ATOM 836 C GLY A 57 16.121 -0.344 -0.085 1.00 0.00 C ATOM 837 O GLY A 57 17.277 -0.092 0.316 1.00 0.00 O ATOM 0 H GLY A 57 13.308 -1.457 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.326 -0.512 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.300 -2.010 0.993 1.00 0.00 H new TER 841 GLY A 57