USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 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 Set 1.1: A 10 SER OG : rot -102:sc= 0.00616 USER MOD Set 1.2: A 13 SER OG : rot -160:sc= -0.0863 USER MOD Single : A 1 ARG N :NH3+ 167:sc= 0 (180deg=-0.00973) USER MOD Single : A 20 SER OG : rot -60:sc= 0.675 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 -15:sc= -0.0339 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.261 F(o=-2.9!,f=0.26) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -26:sc= 0.145 USER MOD Single : A 28 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0828 USER MOD Single : A 31 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.043) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 34 THR OG1 : rot 25:sc= 0.0111 USER MOD Single : A 35 TYR OH : rot -103:sc= 0.964 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 41 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.9!) USER MOD Single : A 43 ASN : amide:sc= -0.346 K(o=-0.35,f=-3.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.85 X(o=-0.85,f=-1.3) USER MOD Single : A 54 THR OG1 : rot -38:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.319 -5.329 2.238 1.00 0.00 N ATOM 2 CA ARG A 1 10.879 -5.054 2.360 1.00 0.00 C ATOM 3 C ARG A 1 10.123 -6.145 3.151 1.00 0.00 C ATOM 4 O ARG A 1 10.328 -7.331 2.898 1.00 0.00 O ATOM 5 CB ARG A 1 10.281 -4.821 0.964 1.00 0.00 C ATOM 6 CG ARG A 1 10.300 -5.972 -0.060 1.00 0.00 C ATOM 7 CD ARG A 1 11.188 -5.682 -1.280 1.00 0.00 C ATOM 8 NE ARG A 1 12.589 -6.070 -1.078 1.00 0.00 N ATOM 9 CZ ARG A 1 13.104 -7.272 -1.386 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.303 -8.286 -1.721 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.422 -7.441 -1.363 1.00 0.00 N ATOM 0 H1 ARG A 1 12.734 -4.696 1.524 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.782 -5.168 3.155 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.460 -6.318 1.948 1.00 0.00 H new ATOM 0 HA ARG A 1 10.756 -4.145 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.243 -4.517 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.806 -3.976 0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.652 -6.880 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.282 -6.166 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.791 -6.213 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.142 -4.618 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 1 13.218 -5.376 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.292 -8.151 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.702 -9.196 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.032 -6.662 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.824 -8.349 -1.595 1.00 0.00 H new ATOM 25 N PRO A 2 9.264 -5.786 4.127 1.00 0.00 N ATOM 26 CA PRO A 2 8.483 -6.735 4.919 1.00 0.00 C ATOM 27 C PRO A 2 7.344 -7.273 4.065 1.00 0.00 C ATOM 28 O PRO A 2 6.640 -6.517 3.392 1.00 0.00 O ATOM 29 CB PRO A 2 7.943 -5.944 6.106 1.00 0.00 C ATOM 30 CG PRO A 2 7.819 -4.526 5.558 1.00 0.00 C ATOM 31 CD PRO A 2 8.942 -4.429 4.526 1.00 0.00 C ATOM 0 HA PRO A 2 9.076 -7.585 5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.981 -6.330 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.620 -5.987 6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.843 -4.358 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.936 -3.782 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.627 -3.838 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.815 -3.934 4.950 1.00 0.00 H new ATOM 39 N ARG A 3 7.079 -8.570 4.173 1.00 0.00 N ATOM 40 CA ARG A 3 6.040 -9.231 3.389 1.00 0.00 C ATOM 41 C ARG A 3 4.630 -8.676 3.565 1.00 0.00 C ATOM 42 O ARG A 3 3.772 -8.943 2.733 1.00 0.00 O ATOM 43 CB ARG A 3 6.125 -10.758 3.554 1.00 0.00 C ATOM 44 CG ARG A 3 5.149 -11.396 4.545 1.00 0.00 C ATOM 45 CD ARG A 3 5.272 -10.989 6.017 1.00 0.00 C ATOM 46 NE ARG A 3 6.556 -11.393 6.605 1.00 0.00 N ATOM 47 CZ ARG A 3 6.899 -12.627 6.990 1.00 0.00 C ATOM 48 NH1 ARG A 3 6.097 -13.672 6.808 1.00 0.00 N ATOM 49 NH2 ARG A 3 8.063 -12.827 7.584 1.00 0.00 N ATOM 0 H ARG A 3 7.578 -9.194 4.807 1.00 0.00 H new ATOM 0 HA ARG A 3 6.256 -8.990 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.966 -11.215 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.139 -11.011 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.136 -11.166 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.266 -12.478 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.161 -9.908 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.458 -11.439 6.585 1.00 0.00 H new ATOM 0 HE ARG A 3 7.254 -10.661 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.188 -13.546 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.391 -14.600 7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.694 -12.042 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.330 -13.766 7.880 1.00 0.00 H new ATOM 63 N PHE A 4 4.340 -7.922 4.628 1.00 0.00 N ATOM 64 CA PHE A 4 2.987 -7.393 4.766 1.00 0.00 C ATOM 65 C PHE A 4 2.747 -6.246 3.772 1.00 0.00 C ATOM 66 O PHE A 4 1.606 -5.945 3.431 1.00 0.00 O ATOM 67 CB PHE A 4 2.717 -6.962 6.210 1.00 0.00 C ATOM 68 CG PHE A 4 3.351 -5.646 6.602 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.747 -4.442 6.196 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.533 -5.616 7.361 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.316 -3.214 6.558 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.123 -4.383 7.688 1.00 0.00 C ATOM 73 CZ PHE A 4 4.514 -3.181 7.292 1.00 0.00 C ATOM 0 H PHE A 4 4.991 -7.674 5.373 1.00 0.00 H new ATOM 0 HA PHE A 4 2.279 -8.186 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.640 -6.890 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.080 -7.740 6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.844 -4.464 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.987 -6.538 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.833 -2.291 6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.048 -4.360 8.246 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.965 -2.234 7.551 1.00 0.00 H new ATOM 83 N CYS A 5 3.815 -5.594 3.308 1.00 0.00 N ATOM 84 CA CYS A 5 3.766 -4.478 2.388 1.00 0.00 C ATOM 85 C CYS A 5 3.554 -4.913 0.933 1.00 0.00 C ATOM 86 O CYS A 5 3.191 -4.075 0.112 1.00 0.00 O ATOM 87 CB CYS A 5 5.096 -3.741 2.578 1.00 0.00 C ATOM 88 SG CYS A 5 5.212 -2.022 2.066 1.00 0.00 S ATOM 0 H CYS A 5 4.766 -5.845 3.578 1.00 0.00 H new ATOM 0 HA CYS A 5 2.911 -3.836 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.352 -3.788 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.862 -4.299 2.040 1.00 0.00 H new ATOM 93 N GLU A 6 3.706 -6.200 0.605 1.00 0.00 N ATOM 94 CA GLU A 6 3.565 -6.731 -0.763 1.00 0.00 C ATOM 95 C GLU A 6 2.302 -7.579 -0.941 1.00 0.00 C ATOM 96 O GLU A 6 2.242 -8.490 -1.771 1.00 0.00 O ATOM 97 CB GLU A 6 4.868 -7.440 -1.180 1.00 0.00 C ATOM 98 CG GLU A 6 5.070 -8.817 -0.519 1.00 0.00 C ATOM 99 CD GLU A 6 6.517 -9.198 -0.196 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.389 -8.311 -0.067 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.787 -10.394 0.062 1.00 0.00 O ATOM 0 H GLU A 6 3.935 -6.918 1.292 1.00 0.00 H new ATOM 0 HA GLU A 6 3.417 -5.899 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.872 -7.564 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.714 -6.800 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.493 -8.843 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.652 -9.579 -1.177 1.00 0.00 H new ATOM 108 N LEU A 7 1.291 -7.349 -0.104 1.00 0.00 N ATOM 109 CA LEU A 7 0.034 -8.077 -0.190 1.00 0.00 C ATOM 110 C LEU A 7 -0.826 -7.457 -1.296 1.00 0.00 C ATOM 111 O LEU A 7 -0.430 -6.471 -1.924 1.00 0.00 O ATOM 112 CB LEU A 7 -0.668 -8.112 1.171 1.00 0.00 C ATOM 113 CG LEU A 7 0.171 -8.743 2.295 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.660 -8.753 3.572 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.631 -10.171 2.018 1.00 0.00 C ATOM 0 H LEU A 7 1.323 -6.658 0.646 1.00 0.00 H new ATOM 0 HA LEU A 7 0.218 -9.118 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.932 -7.094 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.600 -8.668 1.073 1.00 0.00 H new ATOM 0 HG LEU A 7 1.072 -8.135 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.080 -9.198 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.930 -7.731 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.566 -9.337 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.215 -10.535 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.239 -10.812 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.246 -10.187 1.118 1.00 0.00 H new ATOM 127 N ALA A 8 -1.953 -8.088 -1.608 1.00 0.00 N ATOM 128 CA ALA A 8 -2.873 -7.633 -2.640 1.00 0.00 C ATOM 129 C ALA A 8 -4.009 -6.887 -1.948 1.00 0.00 C ATOM 130 O ALA A 8 -4.732 -7.511 -1.163 1.00 0.00 O ATOM 131 CB ALA A 8 -3.397 -8.822 -3.434 1.00 0.00 C ATOM 0 H ALA A 8 -2.256 -8.943 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.371 -6.969 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.085 -8.471 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.562 -9.343 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.920 -9.505 -2.764 1.00 0.00 H new ATOM 137 N PRO A 9 -4.198 -5.585 -2.194 1.00 0.00 N ATOM 138 CA PRO A 9 -5.256 -4.851 -1.535 1.00 0.00 C ATOM 139 C PRO A 9 -6.630 -5.193 -2.137 1.00 0.00 C ATOM 140 O PRO A 9 -6.944 -4.735 -3.234 1.00 0.00 O ATOM 141 CB PRO A 9 -4.908 -3.377 -1.741 1.00 0.00 C ATOM 142 CG PRO A 9 -4.128 -3.362 -3.057 1.00 0.00 C ATOM 143 CD PRO A 9 -3.431 -4.723 -3.086 1.00 0.00 C ATOM 0 HA PRO A 9 -5.327 -5.104 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.804 -2.760 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.309 -2.989 -0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.791 -3.234 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.408 -2.544 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.409 -5.129 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.396 -4.639 -2.753 1.00 0.00 H new ATOM 151 N SER A 10 -7.458 -5.971 -1.432 1.00 0.00 N ATOM 152 CA SER A 10 -8.814 -6.345 -1.845 1.00 0.00 C ATOM 153 C SER A 10 -9.712 -5.090 -1.728 1.00 0.00 C ATOM 154 O SER A 10 -10.502 -4.916 -0.795 1.00 0.00 O ATOM 155 CB SER A 10 -9.299 -7.551 -1.017 1.00 0.00 C ATOM 156 OG SER A 10 -10.421 -8.218 -1.579 1.00 0.00 O ATOM 0 H SER A 10 -7.195 -6.370 -0.531 1.00 0.00 H new ATOM 0 HA SER A 10 -8.849 -6.674 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.479 -8.262 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.555 -7.212 -0.013 1.00 0.00 H new ATOM 0 HG SER A 10 -11.233 -7.952 -1.100 1.00 0.00 H new ATOM 162 N ALA A 11 -9.568 -4.164 -2.675 1.00 0.00 N ATOM 163 CA ALA A 11 -10.299 -2.908 -2.751 1.00 0.00 C ATOM 164 C ALA A 11 -11.775 -3.095 -3.115 1.00 0.00 C ATOM 165 O ALA A 11 -12.524 -2.120 -3.052 1.00 0.00 O ATOM 166 CB ALA A 11 -9.613 -2.000 -3.782 1.00 0.00 C ATOM 0 H ALA A 11 -8.907 -4.278 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.282 -2.453 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.151 -1.054 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.585 -1.811 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.616 -2.489 -4.756 1.00 0.00 H new ATOM 172 N GLY A 12 -12.211 -4.309 -3.461 1.00 0.00 N ATOM 173 CA GLY A 12 -13.587 -4.593 -3.851 1.00 0.00 C ATOM 174 C GLY A 12 -14.480 -5.199 -2.770 1.00 0.00 C ATOM 175 O GLY A 12 -15.665 -5.392 -3.038 1.00 0.00 O ATOM 0 H GLY A 12 -11.607 -5.131 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.045 -3.665 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.569 -5.273 -4.702 1.00 0.00 H new ATOM 179 N SER A 13 -13.988 -5.476 -1.558 1.00 0.00 N ATOM 180 CA SER A 13 -14.802 -6.084 -0.502 1.00 0.00 C ATOM 181 C SER A 13 -16.077 -5.299 -0.181 1.00 0.00 C ATOM 182 O SER A 13 -17.158 -5.893 -0.123 1.00 0.00 O ATOM 183 CB SER A 13 -13.961 -6.308 0.749 1.00 0.00 C ATOM 184 OG SER A 13 -12.745 -6.937 0.399 1.00 0.00 O ATOM 0 H SER A 13 -13.024 -5.287 -1.284 1.00 0.00 H new ATOM 0 HA SER A 13 -15.141 -7.047 -0.884 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.761 -5.356 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.509 -6.925 1.462 1.00 0.00 H new ATOM 0 HG SER A 13 -12.356 -7.361 1.192 1.00 0.00 H new ATOM 190 N CYS A 14 -15.974 -4.002 0.102 1.00 0.00 N ATOM 191 CA CYS A 14 -17.105 -3.131 0.404 1.00 0.00 C ATOM 192 C CYS A 14 -16.952 -1.913 -0.489 1.00 0.00 C ATOM 193 O CYS A 14 -15.829 -1.563 -0.869 1.00 0.00 O ATOM 194 CB CYS A 14 -17.163 -2.705 1.878 1.00 0.00 C ATOM 195 SG CYS A 14 -17.275 -4.041 3.094 1.00 0.00 S ATOM 0 H CYS A 14 -15.077 -3.516 0.128 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.036 -3.667 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.274 -2.115 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.023 -2.048 2.011 1.00 0.00 H new ATOM 200 N PHE A 15 -18.066 -1.268 -0.808 1.00 0.00 N ATOM 201 CA PHE A 15 -18.044 -0.101 -1.660 1.00 0.00 C ATOM 202 C PHE A 15 -17.846 1.113 -0.767 1.00 0.00 C ATOM 203 O PHE A 15 -18.738 1.497 -0.006 1.00 0.00 O ATOM 204 CB PHE A 15 -19.357 -0.023 -2.443 1.00 0.00 C ATOM 205 CG PHE A 15 -19.419 1.069 -3.496 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.383 2.435 -3.147 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.517 0.710 -4.852 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.403 3.420 -4.146 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.603 1.695 -5.848 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.532 3.050 -5.494 1.00 0.00 C ATOM 0 H PHE A 15 -18.995 -1.539 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.233 -0.147 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.529 -0.984 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.174 0.129 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.340 2.724 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.526 -0.334 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.319 4.463 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.723 1.411 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.577 3.810 -6.260 1.00 0.00 H new ATOM 220 N ALA A 16 -16.642 1.660 -0.841 1.00 0.00 N ATOM 221 CA ALA A 16 -16.170 2.836 -0.142 1.00 0.00 C ATOM 222 C ALA A 16 -15.134 3.499 -1.045 1.00 0.00 C ATOM 223 O ALA A 16 -14.590 2.846 -1.945 1.00 0.00 O ATOM 224 CB ALA A 16 -15.534 2.427 1.178 1.00 0.00 C ATOM 0 H ALA A 16 -15.918 1.260 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.988 3.522 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.180 3.315 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.272 1.913 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.694 1.760 0.986 1.00 0.00 H new ATOM 230 N PHE A 17 -14.813 4.763 -0.765 1.00 0.00 N ATOM 231 CA PHE A 17 -13.846 5.522 -1.543 1.00 0.00 C ATOM 232 C PHE A 17 -12.848 6.235 -0.631 1.00 0.00 C ATOM 233 O PHE A 17 -13.154 7.312 -0.114 1.00 0.00 O ATOM 234 CB PHE A 17 -14.651 6.467 -2.453 1.00 0.00 C ATOM 235 CG PHE A 17 -13.985 7.035 -3.691 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.687 6.668 -4.101 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.735 7.912 -4.494 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.157 7.174 -5.298 1.00 0.00 C ATOM 239 CE2 PHE A 17 -14.198 8.428 -5.683 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.902 8.070 -6.083 1.00 0.00 C ATOM 0 H PHE A 17 -15.220 5.286 0.010 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.228 4.876 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.545 5.932 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.985 7.307 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.099 5.996 -3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.734 8.191 -4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.170 6.873 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.783 9.102 -6.291 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.480 8.480 -6.988 1.00 0.00 H new ATOM 250 N VAL A 18 -11.664 5.658 -0.417 1.00 0.00 N ATOM 251 CA VAL A 18 -10.614 6.232 0.425 1.00 0.00 C ATOM 252 C VAL A 18 -9.260 6.054 -0.284 1.00 0.00 C ATOM 253 O VAL A 18 -8.780 4.922 -0.385 1.00 0.00 O ATOM 254 CB VAL A 18 -10.658 5.643 1.856 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.779 6.288 2.683 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.872 4.124 1.912 1.00 0.00 C ATOM 0 H VAL A 18 -11.404 4.763 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.775 7.302 0.560 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.672 5.864 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.788 5.856 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.608 7.362 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.739 6.104 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.890 3.797 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.820 3.872 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.059 3.622 1.388 1.00 0.00 H new ATOM 266 N PRO A 19 -8.630 7.115 -0.818 1.00 0.00 N ATOM 267 CA PRO A 19 -7.353 6.977 -1.497 1.00 0.00 C ATOM 268 C PRO A 19 -6.286 6.579 -0.486 1.00 0.00 C ATOM 269 O PRO A 19 -6.082 7.289 0.503 1.00 0.00 O ATOM 270 CB PRO A 19 -7.038 8.325 -2.149 1.00 0.00 C ATOM 271 CG PRO A 19 -7.885 9.325 -1.365 1.00 0.00 C ATOM 272 CD PRO A 19 -9.049 8.509 -0.787 1.00 0.00 C ATOM 0 HA PRO A 19 -7.383 6.201 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.976 8.562 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.298 8.326 -3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.304 9.796 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.248 10.124 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.276 8.824 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.955 8.655 -1.375 1.00 0.00 H new ATOM 280 N SER A 20 -5.648 5.428 -0.687 1.00 0.00 N ATOM 281 CA SER A 20 -4.580 4.914 0.166 1.00 0.00 C ATOM 282 C SER A 20 -3.299 4.713 -0.673 1.00 0.00 C ATOM 283 O SER A 20 -3.249 5.184 -1.809 1.00 0.00 O ATOM 284 CB SER A 20 -5.080 3.685 0.887 1.00 0.00 C ATOM 285 OG SER A 20 -6.273 3.967 1.603 1.00 0.00 O ATOM 0 H SER A 20 -5.866 4.811 -1.469 1.00 0.00 H new ATOM 0 HA SER A 20 -4.301 5.624 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.263 2.886 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.315 3.326 1.575 1.00 0.00 H new ATOM 0 HG SER A 20 -6.099 4.669 2.264 1.00 0.00 H new ATOM 291 N TYR A 21 -2.217 4.141 -0.134 1.00 0.00 N ATOM 292 CA TYR A 21 -0.962 3.925 -0.875 1.00 0.00 C ATOM 293 C TYR A 21 -0.711 2.445 -1.113 1.00 0.00 C ATOM 294 O TYR A 21 -0.979 1.629 -0.232 1.00 0.00 O ATOM 295 CB TYR A 21 0.234 4.560 -0.166 1.00 0.00 C ATOM 296 CG TYR A 21 0.514 5.984 -0.597 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.224 7.024 -0.009 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.464 6.278 -1.601 1.00 0.00 C ATOM 299 CE1 TYR A 21 -0.016 8.355 -0.401 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.651 7.605 -2.019 1.00 0.00 C ATOM 301 CZ TYR A 21 0.929 8.651 -1.404 1.00 0.00 C ATOM 302 OH TYR A 21 1.157 9.946 -1.741 1.00 0.00 O ATOM 0 H TYR A 21 -2.183 3.813 0.831 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.076 4.416 -1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.058 4.544 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.120 3.953 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.957 6.798 0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.045 5.484 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.579 9.151 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.349 7.826 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 21 1.836 9.986 -2.447 1.00 0.00 H new ATOM 312 N TYR A 22 -0.238 2.150 -2.326 1.00 0.00 N ATOM 313 CA TYR A 22 0.102 0.847 -2.872 1.00 0.00 C ATOM 314 C TYR A 22 1.618 0.793 -3.025 1.00 0.00 C ATOM 315 O TYR A 22 2.218 1.664 -3.656 1.00 0.00 O ATOM 316 CB TYR A 22 -0.542 0.666 -4.264 1.00 0.00 C ATOM 317 CG TYR A 22 -0.541 -0.755 -4.805 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.670 -1.423 -5.074 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.760 -1.400 -5.081 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.683 -2.745 -5.547 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.760 -2.715 -5.593 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.541 -3.399 -5.824 1.00 0.00 C ATOM 323 OH TYR A 22 -0.553 -4.654 -6.355 1.00 0.00 O ATOM 0 H TYR A 22 -0.070 2.889 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.261 0.060 -2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.573 1.018 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.019 1.307 -4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.606 -0.909 -4.913 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.695 -0.890 -4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.621 -3.259 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.698 -3.204 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.480 -4.948 -6.478 1.00 0.00 H new ATOM 333 N TYR A 23 2.242 -0.243 -2.482 1.00 0.00 N ATOM 334 CA TYR A 23 3.690 -0.425 -2.568 1.00 0.00 C ATOM 335 C TYR A 23 4.060 -1.310 -3.754 1.00 0.00 C ATOM 336 O TYR A 23 3.480 -2.387 -3.901 1.00 0.00 O ATOM 337 CB TYR A 23 4.189 -1.077 -1.289 1.00 0.00 C ATOM 338 CG TYR A 23 5.641 -1.487 -1.309 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.650 -0.510 -1.316 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.980 -2.852 -1.277 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.993 -0.901 -1.297 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.326 -3.242 -1.203 1.00 0.00 C ATOM 343 CZ TYR A 23 8.339 -2.261 -1.253 1.00 0.00 C ATOM 344 OH TYR A 23 9.652 -2.598 -1.250 1.00 0.00 O ATOM 0 H TYR A 23 1.762 -0.982 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 23 4.153 0.552 -2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.033 -0.385 -0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.581 -1.958 -1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.390 0.538 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.203 -3.601 -1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.770 -0.151 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.585 -4.286 -1.108 1.00 0.00 H new ATOM 0 HH TYR A 23 10.189 -1.824 -1.520 1.00 0.00 H new ATOM 354 N ASN A 24 5.021 -0.883 -4.581 1.00 0.00 N ATOM 355 CA ASN A 24 5.489 -1.644 -5.743 1.00 0.00 C ATOM 356 C ASN A 24 6.960 -1.957 -5.527 1.00 0.00 C ATOM 357 O ASN A 24 7.821 -1.114 -5.785 1.00 0.00 O ATOM 358 CB ASN A 24 5.294 -0.928 -7.088 1.00 0.00 C ATOM 359 CG ASN A 24 3.832 -0.783 -7.473 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.086 -0.082 -6.788 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.404 -1.376 -8.573 1.00 0.00 N ATOM 0 H ASN A 24 5.500 0.010 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 24 4.884 -2.548 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.751 0.060 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.817 -1.482 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.436 -1.258 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.042 -1.952 -9.123 1.00 0.00 H new ATOM 368 N GLN A 25 7.254 -3.161 -5.033 1.00 0.00 N ATOM 369 CA GLN A 25 8.617 -3.609 -4.774 1.00 0.00 C ATOM 370 C GLN A 25 9.424 -3.655 -6.066 1.00 0.00 C ATOM 371 O GLN A 25 10.596 -3.298 -6.039 1.00 0.00 O ATOM 372 CB GLN A 25 8.684 -4.946 -4.010 1.00 0.00 C ATOM 373 CG GLN A 25 8.328 -6.252 -4.745 1.00 0.00 C ATOM 374 CD GLN A 25 6.852 -6.464 -5.094 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.921 -5.720 -4.517 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 6.527 -7.336 -5.891 1.00 0.00 N flip ATOM 0 H GLN A 25 6.544 -3.856 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 25 9.069 -2.871 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.698 -5.053 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.022 -4.864 -3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.905 -6.291 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.656 -7.089 -4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.242 -7.911 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.542 -7.487 -6.108 1.00 0.00 H new ATOM 385 N TYR A 26 8.791 -4.023 -7.189 1.00 0.00 N ATOM 386 CA TYR A 26 9.450 -4.095 -8.486 1.00 0.00 C ATOM 387 C TYR A 26 10.078 -2.743 -8.836 1.00 0.00 C ATOM 388 O TYR A 26 11.183 -2.702 -9.370 1.00 0.00 O ATOM 389 CB TYR A 26 8.439 -4.469 -9.581 1.00 0.00 C ATOM 390 CG TYR A 26 7.494 -5.624 -9.298 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.977 -6.939 -9.168 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.109 -5.385 -9.228 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.077 -8.011 -9.000 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.210 -6.446 -9.041 1.00 0.00 C ATOM 395 CZ TYR A 26 5.687 -7.766 -8.914 1.00 0.00 C ATOM 396 OH TYR A 26 4.803 -8.779 -8.693 1.00 0.00 O ATOM 0 H TYR A 26 7.804 -4.279 -7.216 1.00 0.00 H new ATOM 0 HA TYR A 26 10.226 -4.858 -8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.837 -3.587 -9.798 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.997 -4.705 -10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.040 -7.128 -9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.735 -4.376 -9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.450 -9.022 -8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.149 -6.250 -8.994 1.00 0.00 H new ATOM 0 HH TYR A 26 3.892 -8.418 -8.664 1.00 0.00 H new ATOM 406 N SER A 27 9.372 -1.649 -8.524 1.00 0.00 N ATOM 407 CA SER A 27 9.809 -0.284 -8.792 1.00 0.00 C ATOM 408 C SER A 27 10.463 0.359 -7.561 1.00 0.00 C ATOM 409 O SER A 27 10.879 1.519 -7.603 1.00 0.00 O ATOM 410 CB SER A 27 8.608 0.497 -9.344 1.00 0.00 C ATOM 411 OG SER A 27 8.998 1.746 -9.874 1.00 0.00 O ATOM 0 H SER A 27 8.461 -1.696 -8.068 1.00 0.00 H new ATOM 0 HA SER A 27 10.597 -0.274 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.117 -0.091 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.877 0.650 -8.550 1.00 0.00 H new ATOM 0 HG SER A 27 9.819 2.047 -9.432 1.00 0.00 H new ATOM 417 N ASN A 28 10.589 -0.382 -6.454 1.00 0.00 N ATOM 418 CA ASN A 28 11.174 0.053 -5.198 1.00 0.00 C ATOM 419 C ASN A 28 10.602 1.421 -4.785 1.00 0.00 C ATOM 420 O ASN A 28 11.332 2.330 -4.385 1.00 0.00 O ATOM 421 CB ASN A 28 12.705 -0.010 -5.362 1.00 0.00 C ATOM 422 CG ASN A 28 13.501 0.263 -4.101 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.294 1.195 -4.042 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.388 -0.573 -3.081 1.00 0.00 N ATOM 0 H ASN A 28 10.267 -1.349 -6.417 1.00 0.00 H new ATOM 0 HA ASN A 28 10.914 -0.598 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.974 -0.998 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.003 0.711 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.961 -0.441 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.728 -1.349 -3.129 1.00 0.00 H new ATOM 431 N THR A 29 9.284 1.602 -4.936 1.00 0.00 N ATOM 432 CA THR A 29 8.593 2.837 -4.583 1.00 0.00 C ATOM 433 C THR A 29 7.137 2.547 -4.197 1.00 0.00 C ATOM 434 O THR A 29 6.702 1.392 -4.167 1.00 0.00 O ATOM 435 CB THR A 29 8.753 3.901 -5.697 1.00 0.00 C ATOM 436 OG1 THR A 29 8.466 5.179 -5.156 1.00 0.00 O ATOM 437 CG2 THR A 29 7.850 3.644 -6.903 1.00 0.00 C ATOM 0 H THR A 29 8.665 0.883 -5.312 1.00 0.00 H new ATOM 0 HA THR A 29 9.057 3.272 -3.698 1.00 0.00 H new ATOM 0 HB THR A 29 9.781 3.847 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.566 5.860 -5.854 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.008 4.423 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.089 2.673 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.807 3.652 -6.585 1.00 0.00 H new ATOM 445 N CYS A 30 6.379 3.591 -3.867 1.00 0.00 N ATOM 446 CA CYS A 30 4.989 3.528 -3.465 1.00 0.00 C ATOM 447 C CYS A 30 4.200 4.536 -4.290 1.00 0.00 C ATOM 448 O CYS A 30 4.716 5.611 -4.593 1.00 0.00 O ATOM 449 CB CYS A 30 4.909 3.867 -1.980 1.00 0.00 C ATOM 450 SG CYS A 30 3.710 2.898 -1.069 1.00 0.00 S ATOM 0 H CYS A 30 6.741 4.545 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 30 4.572 2.534 -3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.892 3.722 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.663 4.923 -1.873 1.00 0.00 H new ATOM 455 N HIS A 31 2.937 4.238 -4.584 1.00 0.00 N ATOM 456 CA HIS A 31 2.084 5.095 -5.376 1.00 0.00 C ATOM 457 C HIS A 31 0.679 5.069 -4.803 1.00 0.00 C ATOM 458 O HIS A 31 0.239 4.036 -4.300 1.00 0.00 O ATOM 459 CB HIS A 31 2.122 4.597 -6.825 1.00 0.00 C ATOM 460 CG HIS A 31 1.722 5.683 -7.776 1.00 0.00 C ATOM 461 ND1 HIS A 31 0.638 5.701 -8.619 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.362 6.881 -7.883 1.00 0.00 C ATOM 463 CE1 HIS A 31 0.623 6.896 -9.232 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.641 7.663 -8.795 1.00 0.00 N ATOM 0 H HIS A 31 2.479 3.382 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 31 2.428 6.129 -5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.126 4.248 -7.067 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.452 3.745 -6.938 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.261 7.174 -7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.103 7.200 -9.972 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.846 8.623 -9.073 1.00 0.00 H new ATOM 472 N SER A 32 -0.038 6.187 -4.835 1.00 0.00 N ATOM 473 CA SER A 32 -1.381 6.209 -4.288 1.00 0.00 C ATOM 474 C SER A 32 -2.363 5.455 -5.191 1.00 0.00 C ATOM 475 O SER A 32 -2.290 5.529 -6.423 1.00 0.00 O ATOM 476 CB SER A 32 -1.805 7.641 -3.990 1.00 0.00 C ATOM 477 OG SER A 32 -1.424 8.545 -5.009 1.00 0.00 O ATOM 0 H SER A 32 0.284 7.072 -5.227 1.00 0.00 H new ATOM 0 HA SER A 32 -1.389 5.675 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.887 7.677 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.363 7.957 -3.045 1.00 0.00 H new ATOM 0 HG SER A 32 -1.720 9.449 -4.772 1.00 0.00 H new ATOM 483 N PHE A 33 -3.273 4.702 -4.576 1.00 0.00 N ATOM 484 CA PHE A 33 -4.314 3.914 -5.225 1.00 0.00 C ATOM 485 C PHE A 33 -5.636 4.087 -4.454 1.00 0.00 C ATOM 486 O PHE A 33 -5.690 4.827 -3.470 1.00 0.00 O ATOM 487 CB PHE A 33 -3.868 2.455 -5.355 1.00 0.00 C ATOM 488 CG PHE A 33 -4.146 1.616 -4.131 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.468 1.885 -2.936 1.00 0.00 C ATOM 490 CD2 PHE A 33 -5.089 0.574 -4.177 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.707 1.103 -1.807 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.351 -0.191 -3.033 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.639 0.065 -1.851 1.00 0.00 C ATOM 0 H PHE A 33 -3.304 4.622 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.487 4.268 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.371 2.007 -6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.799 2.430 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.759 2.699 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.613 0.363 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.168 1.302 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.096 -0.973 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.812 -0.542 -0.975 1.00 0.00 H new ATOM 503 N THR A 34 -6.718 3.446 -4.894 1.00 0.00 N ATOM 504 CA THR A 34 -8.026 3.556 -4.238 1.00 0.00 C ATOM 505 C THR A 34 -8.259 2.357 -3.319 1.00 0.00 C ATOM 506 O THR A 34 -8.075 1.215 -3.747 1.00 0.00 O ATOM 507 CB THR A 34 -9.152 3.722 -5.276 1.00 0.00 C ATOM 508 OG1 THR A 34 -9.120 2.708 -6.257 1.00 0.00 O ATOM 509 CG2 THR A 34 -9.044 5.057 -6.014 1.00 0.00 C ATOM 0 H THR A 34 -6.716 2.837 -5.712 1.00 0.00 H new ATOM 0 HA THR A 34 -8.035 4.453 -3.618 1.00 0.00 H new ATOM 0 HB THR A 34 -10.081 3.669 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.685 1.910 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.855 5.139 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.113 5.875 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.087 5.109 -6.533 1.00 0.00 H new ATOM 517 N TYR A 35 -8.623 2.602 -2.054 1.00 0.00 N ATOM 518 CA TYR A 35 -8.892 1.546 -1.076 1.00 0.00 C ATOM 519 C TYR A 35 -10.373 1.559 -0.654 1.00 0.00 C ATOM 520 O TYR A 35 -11.082 2.532 -0.918 1.00 0.00 O ATOM 521 CB TYR A 35 -7.943 1.663 0.113 1.00 0.00 C ATOM 522 CG TYR A 35 -7.914 0.506 1.105 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.104 -0.623 0.866 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.600 0.607 2.333 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.871 -1.561 1.879 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.455 -0.392 3.314 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.568 -1.468 3.101 1.00 0.00 C ATOM 528 OH TYR A 35 -7.395 -2.427 4.048 1.00 0.00 O ATOM 0 H TYR A 35 -8.739 3.544 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.705 0.577 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.933 1.800 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.200 2.570 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.659 -0.766 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -9.240 1.456 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.157 -2.356 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.023 -0.335 4.231 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.170 -3.026 4.052 1.00 0.00 H new ATOM 538 N SER A 36 -10.821 0.499 0.031 1.00 0.00 N ATOM 539 CA SER A 36 -12.183 0.306 0.520 1.00 0.00 C ATOM 540 C SER A 36 -12.310 0.670 2.010 1.00 0.00 C ATOM 541 O SER A 36 -12.832 1.727 2.363 1.00 0.00 O ATOM 542 CB SER A 36 -12.603 -1.147 0.230 1.00 0.00 C ATOM 543 OG SER A 36 -11.573 -2.070 0.587 1.00 0.00 O ATOM 0 H SER A 36 -10.210 -0.283 0.268 1.00 0.00 H new ATOM 0 HA SER A 36 -12.861 0.981 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.512 -1.382 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.839 -1.254 -0.829 1.00 0.00 H new ATOM 0 HG SER A 36 -11.870 -2.983 0.392 1.00 0.00 H new ATOM 549 N GLY A 37 -11.834 -0.188 2.913 1.00 0.00 N ATOM 550 CA GLY A 37 -11.914 0.042 4.350 1.00 0.00 C ATOM 551 C GLY A 37 -12.107 -1.289 5.050 1.00 0.00 C ATOM 552 O GLY A 37 -11.168 -1.805 5.658 1.00 0.00 O ATOM 0 H GLY A 37 -11.380 -1.067 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.005 0.527 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.743 0.712 4.579 1.00 0.00 H new ATOM 556 N CYS A 38 -13.298 -1.878 4.918 1.00 0.00 N ATOM 557 CA CYS A 38 -13.622 -3.164 5.531 1.00 0.00 C ATOM 558 C CYS A 38 -12.689 -4.265 5.037 1.00 0.00 C ATOM 559 O CYS A 38 -12.340 -5.189 5.770 1.00 0.00 O ATOM 560 CB CYS A 38 -15.068 -3.565 5.203 1.00 0.00 C ATOM 561 SG CYS A 38 -15.347 -4.361 3.582 1.00 0.00 S ATOM 0 H CYS A 38 -14.065 -1.474 4.381 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.500 -3.048 6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.418 -4.243 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.690 -2.671 5.256 1.00 0.00 H new ATOM 566 N GLY A 39 -12.336 -4.175 3.757 1.00 0.00 N ATOM 567 CA GLY A 39 -11.483 -5.091 3.051 1.00 0.00 C ATOM 568 C GLY A 39 -10.139 -4.473 2.825 1.00 0.00 C ATOM 569 O GLY A 39 -9.838 -3.387 3.322 1.00 0.00 O ATOM 0 H GLY A 39 -12.663 -3.413 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.376 -6.014 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.935 -5.357 2.095 1.00 0.00 H new ATOM 573 N GLY A 40 -9.357 -5.167 2.016 1.00 0.00 N ATOM 574 CA GLY A 40 -8.019 -4.767 1.691 1.00 0.00 C ATOM 575 C GLY A 40 -7.066 -5.538 2.585 1.00 0.00 C ATOM 576 O GLY A 40 -7.464 -6.097 3.605 1.00 0.00 O ATOM 0 H GLY A 40 -9.648 -6.035 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.805 -4.971 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.896 -3.694 1.839 1.00 0.00 H new ATOM 580 N ASN A 41 -5.809 -5.628 2.177 1.00 0.00 N ATOM 581 CA ASN A 41 -4.800 -6.345 2.939 1.00 0.00 C ATOM 582 C ASN A 41 -3.882 -5.351 3.635 1.00 0.00 C ATOM 583 O ASN A 41 -3.943 -4.144 3.380 1.00 0.00 O ATOM 584 CB ASN A 41 -4.015 -7.268 1.996 1.00 0.00 C ATOM 585 CG ASN A 41 -4.646 -8.635 1.741 1.00 0.00 C ATOM 586 OD1 ASN A 41 -3.926 -9.566 1.392 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.946 -8.834 1.910 1.00 0.00 N ATOM 0 H ASN A 41 -5.462 -5.209 1.314 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.273 -6.959 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.890 -6.760 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.018 -7.419 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.345 -9.759 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.547 -8.062 2.200 1.00 0.00 H new ATOM 594 N ALA A 42 -2.968 -5.879 4.454 1.00 0.00 N ATOM 595 CA ALA A 42 -1.990 -5.109 5.203 1.00 0.00 C ATOM 596 C ALA A 42 -1.089 -4.251 4.311 1.00 0.00 C ATOM 597 O ALA A 42 -0.323 -3.461 4.862 1.00 0.00 O ATOM 598 CB ALA A 42 -1.119 -6.043 6.048 1.00 0.00 C ATOM 0 H ALA A 42 -2.892 -6.884 4.614 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.556 -4.431 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.390 -5.455 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.749 -6.596 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.598 -6.744 5.396 1.00 0.00 H new ATOM 604 N ASN A 43 -1.123 -4.399 2.972 1.00 0.00 N ATOM 605 CA ASN A 43 -0.281 -3.571 2.119 1.00 0.00 C ATOM 606 C ASN A 43 -0.770 -2.122 2.092 1.00 0.00 C ATOM 607 O ASN A 43 -0.158 -1.311 1.405 1.00 0.00 O ATOM 608 CB ASN A 43 -0.140 -4.145 0.709 1.00 0.00 C ATOM 609 CG ASN A 43 -1.349 -3.858 -0.153 1.00 0.00 C ATOM 610 OD1 ASN A 43 -2.396 -4.466 0.040 1.00 0.00 O ATOM 611 ND2 ASN A 43 -1.216 -2.932 -1.091 1.00 0.00 N ATOM 0 H ASN A 43 -1.712 -5.069 2.478 1.00 0.00 H new ATOM 0 HA ASN A 43 0.717 -3.575 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.748 -3.726 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.011 -5.223 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.006 -2.697 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.323 -2.454 -1.212 1.00 0.00 H new ATOM 618 N ARG A 44 -1.840 -1.766 2.801 1.00 0.00 N ATOM 619 CA ARG A 44 -2.329 -0.410 2.844 1.00 0.00 C ATOM 620 C ARG A 44 -1.411 0.486 3.671 1.00 0.00 C ATOM 621 O ARG A 44 -1.051 0.133 4.796 1.00 0.00 O ATOM 622 CB ARG A 44 -3.703 -0.436 3.534 1.00 0.00 C ATOM 623 CG ARG A 44 -4.146 0.982 3.925 1.00 0.00 C ATOM 624 CD ARG A 44 -5.653 1.102 4.033 1.00 0.00 C ATOM 625 NE ARG A 44 -6.022 2.514 4.099 1.00 0.00 N ATOM 626 CZ ARG A 44 -5.980 3.243 5.220 1.00 0.00 C ATOM 627 NH1 ARG A 44 -5.649 2.684 6.374 1.00 0.00 N ATOM 628 NH2 ARG A 44 -6.230 4.539 5.222 1.00 0.00 N ATOM 0 H ARG A 44 -2.387 -2.421 3.360 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.379 -0.019 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.441 -0.881 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.656 -1.065 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.693 1.252 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.779 1.693 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.129 0.630 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.008 0.580 4.921 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.330 2.971 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.423 1.690 6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.620 3.247 7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.464 5.015 4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.189 5.065 6.095 1.00 0.00 H new ATOM 642 N PHE A 45 -1.153 1.685 3.149 1.00 0.00 N ATOM 643 CA PHE A 45 -0.371 2.741 3.776 1.00 0.00 C ATOM 644 C PHE A 45 -1.125 4.059 3.611 1.00 0.00 C ATOM 645 O PHE A 45 -2.054 4.170 2.806 1.00 0.00 O ATOM 646 CB PHE A 45 1.065 2.815 3.243 1.00 0.00 C ATOM 647 CG PHE A 45 1.983 1.950 4.072 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.496 2.437 5.290 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.229 0.622 3.690 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.232 1.586 6.129 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.996 -0.218 4.508 1.00 0.00 C ATOM 652 CZ PHE A 45 3.480 0.261 5.736 1.00 0.00 C ATOM 0 H PHE A 45 -1.503 1.956 2.230 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.258 2.518 4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.090 2.489 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.413 3.848 3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.323 3.464 5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.825 0.246 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.607 1.949 7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.214 -1.229 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.046 -0.394 6.382 1.00 0.00 H new ATOM 662 N ARG A 46 -0.716 5.059 4.397 1.00 0.00 N ATOM 663 CA ARG A 46 -1.290 6.406 4.431 1.00 0.00 C ATOM 664 C ARG A 46 -0.427 7.411 3.683 1.00 0.00 C ATOM 665 O ARG A 46 -0.910 8.490 3.357 1.00 0.00 O ATOM 666 CB ARG A 46 -1.597 6.863 5.877 1.00 0.00 C ATOM 667 CG ARG A 46 -0.700 6.347 7.023 1.00 0.00 C ATOM 668 CD ARG A 46 0.811 6.576 6.883 1.00 0.00 C ATOM 669 NE ARG A 46 1.187 8.001 6.916 1.00 0.00 N ATOM 670 CZ ARG A 46 1.857 8.608 7.910 1.00 0.00 C ATOM 671 NH1 ARG A 46 2.163 7.969 9.030 1.00 0.00 N ATOM 672 NH2 ARG A 46 2.244 9.868 7.774 1.00 0.00 N ATOM 0 H ARG A 46 0.056 4.947 5.054 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.244 6.361 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.561 7.952 5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.623 6.574 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.029 6.818 7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.872 5.276 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.328 6.052 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.153 6.138 5.945 1.00 0.00 H new ATOM 0 HE ARG A 46 0.916 8.574 6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.889 6.994 9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.672 8.452 9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.033 10.376 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.753 10.330 8.528 1.00 0.00 H new ATOM 686 N THR A 47 0.852 7.112 3.463 1.00 0.00 N ATOM 687 CA THR A 47 1.742 7.986 2.732 1.00 0.00 C ATOM 688 C THR A 47 2.915 7.178 2.201 1.00 0.00 C ATOM 689 O THR A 47 3.267 6.133 2.763 1.00 0.00 O ATOM 690 CB THR A 47 2.205 9.185 3.579 1.00 0.00 C ATOM 691 OG1 THR A 47 2.828 10.121 2.732 1.00 0.00 O ATOM 692 CG2 THR A 47 3.237 8.786 4.640 1.00 0.00 C ATOM 0 H THR A 47 1.293 6.253 3.791 1.00 0.00 H new ATOM 0 HA THR A 47 1.197 8.412 1.889 1.00 0.00 H new ATOM 0 HB THR A 47 1.324 9.590 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.126 10.891 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.531 9.667 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.801 8.047 5.312 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.114 8.360 4.153 1.00 0.00 H new ATOM 700 N ILE A 48 3.517 7.689 1.130 1.00 0.00 N ATOM 701 CA ILE A 48 4.683 7.107 0.497 1.00 0.00 C ATOM 702 C ILE A 48 5.856 7.206 1.460 1.00 0.00 C ATOM 703 O ILE A 48 6.719 6.344 1.441 1.00 0.00 O ATOM 704 CB ILE A 48 5.021 7.857 -0.808 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.328 7.322 -1.437 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.072 9.396 -0.629 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.574 7.858 -2.854 1.00 0.00 C ATOM 0 H ILE A 48 3.194 8.541 0.672 1.00 0.00 H new ATOM 0 HA ILE A 48 4.480 6.065 0.252 1.00 0.00 H new ATOM 0 HB ILE A 48 4.201 7.657 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.170 7.595 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.291 6.233 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.314 9.865 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.102 9.755 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.836 9.652 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.506 7.447 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.749 7.563 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.642 8.946 -2.825 1.00 0.00 H new ATOM 719 N ASP A 49 5.880 8.228 2.310 1.00 0.00 N ATOM 720 CA ASP A 49 6.958 8.458 3.252 1.00 0.00 C ATOM 721 C ASP A 49 7.094 7.334 4.261 1.00 0.00 C ATOM 722 O ASP A 49 8.199 7.001 4.666 1.00 0.00 O ATOM 723 CB ASP A 49 6.763 9.815 3.935 1.00 0.00 C ATOM 724 CG ASP A 49 8.006 10.679 3.795 1.00 0.00 C ATOM 725 OD1 ASP A 49 8.548 10.746 2.678 1.00 0.00 O ATOM 726 OD2 ASP A 49 8.450 11.308 4.786 1.00 0.00 O ATOM 0 H ASP A 49 5.138 8.927 2.361 1.00 0.00 H new ATOM 0 HA ASP A 49 7.896 8.475 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.908 10.328 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.537 9.666 4.991 1.00 0.00 H new ATOM 731 N GLU A 50 5.972 6.767 4.701 1.00 0.00 N ATOM 732 CA GLU A 50 5.971 5.677 5.653 1.00 0.00 C ATOM 733 C GLU A 50 6.178 4.383 4.875 1.00 0.00 C ATOM 734 O GLU A 50 6.933 3.516 5.303 1.00 0.00 O ATOM 735 CB GLU A 50 4.659 5.659 6.439 1.00 0.00 C ATOM 736 CG GLU A 50 4.740 4.755 7.679 1.00 0.00 C ATOM 737 CD GLU A 50 5.733 5.291 8.719 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.371 6.249 9.437 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.870 4.773 8.825 1.00 0.00 O ATOM 0 H GLU A 50 5.041 7.057 4.402 1.00 0.00 H new ATOM 0 HA GLU A 50 6.773 5.797 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.407 6.674 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.853 5.313 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.752 4.671 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.039 3.751 7.377 1.00 0.00 H new ATOM 746 N CYS A 51 5.527 4.262 3.714 1.00 0.00 N ATOM 747 CA CYS A 51 5.631 3.078 2.887 1.00 0.00 C ATOM 748 C CYS A 51 7.077 2.844 2.434 1.00 0.00 C ATOM 749 O CYS A 51 7.563 1.715 2.418 1.00 0.00 O ATOM 750 CB CYS A 51 4.701 3.277 1.693 1.00 0.00 C ATOM 751 SG CYS A 51 4.836 2.058 0.388 1.00 0.00 S ATOM 0 H CYS A 51 4.918 4.985 3.331 1.00 0.00 H new ATOM 0 HA CYS A 51 5.339 2.192 3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.673 3.282 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.894 4.261 1.266 1.00 0.00 H new ATOM 756 N ASN A 52 7.782 3.907 2.045 1.00 0.00 N ATOM 757 CA ASN A 52 9.151 3.810 1.585 1.00 0.00 C ATOM 758 C ASN A 52 10.058 3.532 2.769 1.00 0.00 C ATOM 759 O ASN A 52 10.705 2.485 2.787 1.00 0.00 O ATOM 760 CB ASN A 52 9.567 4.977 0.668 1.00 0.00 C ATOM 761 CG ASN A 52 10.173 6.198 1.340 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.239 6.131 1.930 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.526 7.340 1.231 1.00 0.00 N ATOM 0 H ASN A 52 7.411 4.857 2.043 1.00 0.00 H new ATOM 0 HA ASN A 52 9.255 2.957 0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.286 4.598 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.688 5.299 0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.915 8.188 1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.636 7.377 0.734 1.00 0.00 H new ATOM 770 N ARG A 53 10.004 4.355 3.816 1.00 0.00 N ATOM 771 CA ARG A 53 10.856 4.163 4.992 1.00 0.00 C ATOM 772 C ARG A 53 10.692 2.782 5.644 1.00 0.00 C ATOM 773 O ARG A 53 11.632 2.288 6.273 1.00 0.00 O ATOM 774 CB ARG A 53 10.707 5.349 5.962 1.00 0.00 C ATOM 775 CG ARG A 53 9.514 5.242 6.915 1.00 0.00 C ATOM 776 CD ARG A 53 9.255 6.576 7.633 1.00 0.00 C ATOM 777 NE ARG A 53 10.222 6.808 8.714 1.00 0.00 N ATOM 778 CZ ARG A 53 10.181 6.244 9.927 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.151 5.486 10.296 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.185 6.442 10.773 1.00 0.00 N ATOM 0 H ARG A 53 9.381 5.160 3.875 1.00 0.00 H new ATOM 0 HA ARG A 53 11.894 4.160 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.620 5.437 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.612 6.267 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.625 4.948 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.702 4.460 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.310 7.393 6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.245 6.579 8.042 1.00 0.00 H new ATOM 0 HE ARG A 53 10.989 7.453 8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.377 5.328 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.135 5.063 11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.979 7.020 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.163 6.016 11.700 1.00 0.00 H new ATOM 794 N THR A 54 9.523 2.142 5.527 1.00 0.00 N ATOM 795 CA THR A 54 9.286 0.821 6.097 1.00 0.00 C ATOM 796 C THR A 54 9.420 -0.345 5.109 1.00 0.00 C ATOM 797 O THR A 54 9.471 -1.480 5.590 1.00 0.00 O ATOM 798 CB THR A 54 7.939 0.795 6.827 1.00 0.00 C ATOM 799 OG1 THR A 54 7.970 -0.224 7.814 1.00 0.00 O ATOM 800 CG2 THR A 54 6.764 0.541 5.881 1.00 0.00 C ATOM 0 H THR A 54 8.718 2.529 5.034 1.00 0.00 H new ATOM 0 HA THR A 54 10.092 0.656 6.812 1.00 0.00 H new ATOM 0 HB THR A 54 7.789 1.776 7.278 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.459 -1.000 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.834 0.533 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.723 1.331 5.131 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.896 -0.422 5.387 1.00 0.00 H new ATOM 808 N CYS A 55 9.463 -0.124 3.787 1.00 0.00 N ATOM 809 CA CYS A 55 9.546 -1.217 2.822 1.00 0.00 C ATOM 810 C CYS A 55 10.652 -1.071 1.801 1.00 0.00 C ATOM 811 O CYS A 55 11.385 -2.033 1.632 1.00 0.00 O ATOM 812 CB CYS A 55 8.198 -1.411 2.112 1.00 0.00 C ATOM 813 SG CYS A 55 6.759 -1.403 3.200 1.00 0.00 S ATOM 0 H CYS A 55 9.441 0.805 3.367 1.00 0.00 H new ATOM 0 HA CYS A 55 9.796 -2.101 3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.078 -0.622 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.221 -2.357 1.571 1.00 0.00 H new ATOM 818 N VAL A 56 10.746 0.058 1.099 1.00 0.00 N ATOM 819 CA VAL A 56 11.755 0.316 0.073 1.00 0.00 C ATOM 820 C VAL A 56 13.144 -0.097 0.593 1.00 0.00 C ATOM 821 O VAL A 56 13.748 0.601 1.410 1.00 0.00 O ATOM 822 CB VAL A 56 11.609 1.785 -0.389 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.766 2.353 -1.208 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.338 1.948 -1.242 1.00 0.00 C ATOM 0 H VAL A 56 10.104 0.840 1.232 1.00 0.00 H new ATOM 0 HA VAL A 56 11.613 -0.293 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 56 11.578 2.343 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.550 3.388 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.682 2.313 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.892 1.764 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.245 2.986 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.403 1.303 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.465 1.671 -0.651 1.00 0.00 H new ATOM 834 N GLY A 57 13.655 -1.228 0.102 1.00 0.00 N ATOM 835 CA GLY A 57 14.937 -1.821 0.450 1.00 0.00 C ATOM 836 C GLY A 57 14.823 -3.334 0.516 1.00 0.00 C ATOM 837 O GLY A 57 15.867 -3.987 0.728 1.00 0.00 O ATOM 0 H GLY A 57 13.151 -1.783 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.687 -1.539 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.275 -1.434 1.411 1.00 0.00 H new TER 841 GLY A 57