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 Set 1.1: A 13 SER OG : rot 134:sc= 1.33 USER MOD Set 1.2: A 36 SER OG : rot -140:sc= 1.23 USER MOD Single : A 1 ARG N :NH3+ 178:sc= 0 (180deg=-0.00999) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 82:sc= 0.376 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= -0.217 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -1.58! C(o=-1.6!,f=-3.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -29:sc= 0.32 USER MOD Single : A 28 ASN : amide:sc= 0.00384 X(o=0.0038,f=-0.39) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0811 USER MOD Single : A 31 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.081) USER MOD Single : A 32 SER OG : rot -14:sc= 0.658 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00571 USER MOD Single : A 35 TYR OH : rot 33:sc= -0.113 USER MOD Single : A 41 ASN : amide:sc= -0.0171 K(o=-0.017,f=-6.7!) USER MOD Single : A 43 ASN : amide:sc= 0.525 K(o=0.52,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.116 -5.661 2.709 1.00 0.00 N ATOM 2 CA ARG A 1 10.748 -5.163 2.548 1.00 0.00 C ATOM 3 C ARG A 1 9.800 -6.196 3.168 1.00 0.00 C ATOM 4 O ARG A 1 9.834 -7.366 2.785 1.00 0.00 O ATOM 5 CB ARG A 1 10.438 -4.832 1.085 1.00 0.00 C ATOM 6 CG ARG A 1 10.709 -5.907 0.013 1.00 0.00 C ATOM 7 CD ARG A 1 11.824 -5.493 -0.965 1.00 0.00 C ATOM 8 NE ARG A 1 13.178 -5.810 -0.493 1.00 0.00 N ATOM 9 CZ ARG A 1 13.916 -6.869 -0.862 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.373 -7.886 -1.539 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.203 -6.862 -0.529 1.00 0.00 N ATOM 0 H1 ARG A 1 12.782 -4.996 2.267 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.336 -5.750 3.722 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.202 -6.592 2.253 1.00 0.00 H new ATOM 0 HA ARG A 1 10.614 -4.216 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.384 -4.560 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.012 -3.945 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.986 -6.841 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.793 -6.099 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.658 -5.989 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.755 -4.420 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 1 13.597 -5.166 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.383 -7.865 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.949 -8.683 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.592 -6.073 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.801 -7.646 -0.789 1.00 0.00 H new ATOM 25 N PRO A 2 9.000 -5.806 4.171 1.00 0.00 N ATOM 26 CA PRO A 2 8.085 -6.710 4.847 1.00 0.00 C ATOM 27 C PRO A 2 6.965 -7.166 3.913 1.00 0.00 C ATOM 28 O PRO A 2 6.540 -6.457 2.998 1.00 0.00 O ATOM 29 CB PRO A 2 7.576 -5.934 6.056 1.00 0.00 C ATOM 30 CG PRO A 2 7.643 -4.485 5.590 1.00 0.00 C ATOM 31 CD PRO A 2 8.877 -4.462 4.697 1.00 0.00 C ATOM 0 HA PRO A 2 8.570 -7.634 5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.560 -6.225 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.198 -6.104 6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.745 -4.196 5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.741 -3.796 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.766 -3.735 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.765 -4.179 5.262 1.00 0.00 H new ATOM 39 N ARG A 3 6.421 -8.345 4.185 1.00 0.00 N ATOM 40 CA ARG A 3 5.364 -8.951 3.380 1.00 0.00 C ATOM 41 C ARG A 3 4.069 -8.207 3.417 1.00 0.00 C ATOM 42 O ARG A 3 3.285 -8.296 2.481 1.00 0.00 O ATOM 43 CB ARG A 3 5.064 -10.371 3.844 1.00 0.00 C ATOM 44 CG ARG A 3 6.232 -11.266 3.492 1.00 0.00 C ATOM 45 CD ARG A 3 7.382 -11.160 4.491 1.00 0.00 C ATOM 46 NE ARG A 3 8.295 -12.297 4.367 1.00 0.00 N ATOM 47 CZ ARG A 3 8.137 -13.497 4.933 1.00 0.00 C ATOM 48 NH1 ARG A 3 7.099 -13.758 5.718 1.00 0.00 N ATOM 49 NH2 ARG A 3 9.016 -14.460 4.709 1.00 0.00 N ATOM 0 H ARG A 3 6.704 -8.916 4.981 1.00 0.00 H new ATOM 0 HA ARG A 3 5.756 -8.929 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.890 -10.386 4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.154 -10.737 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.890 -12.300 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.596 -11.007 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.928 -10.231 4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.984 -11.118 5.505 1.00 0.00 H new ATOM 0 HE ARG A 3 9.129 -12.161 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.402 -13.035 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.998 -14.681 6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.818 -14.288 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.892 -15.375 5.143 1.00 0.00 H new ATOM 63 N PHE A 4 3.844 -7.484 4.497 1.00 0.00 N ATOM 64 CA PHE A 4 2.624 -6.712 4.635 1.00 0.00 C ATOM 65 C PHE A 4 2.564 -5.691 3.501 1.00 0.00 C ATOM 66 O PHE A 4 1.481 -5.362 3.018 1.00 0.00 O ATOM 67 CB PHE A 4 2.515 -6.085 6.022 1.00 0.00 C ATOM 68 CG PHE A 4 3.154 -4.729 6.179 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.498 -3.591 5.679 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.370 -4.594 6.859 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.053 -2.318 5.875 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.953 -3.326 7.004 1.00 0.00 C ATOM 73 CZ PHE A 4 4.296 -2.189 6.513 1.00 0.00 C ATOM 0 H PHE A 4 4.485 -7.415 5.287 1.00 0.00 H new ATOM 0 HA PHE A 4 1.754 -7.363 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.459 -6.001 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.967 -6.765 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.566 -3.697 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.859 -5.464 7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.525 -1.439 5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.910 -3.226 7.495 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.747 -1.214 6.626 1.00 0.00 H new ATOM 83 N CYS A 5 3.734 -5.199 3.077 1.00 0.00 N ATOM 84 CA CYS A 5 3.813 -4.243 2.004 1.00 0.00 C ATOM 85 C CYS A 5 3.546 -4.916 0.654 1.00 0.00 C ATOM 86 O CYS A 5 3.171 -4.228 -0.289 1.00 0.00 O ATOM 87 CB CYS A 5 5.204 -3.577 1.996 1.00 0.00 C ATOM 88 SG CYS A 5 5.245 -1.835 2.486 1.00 0.00 S ATOM 0 H CYS A 5 4.637 -5.459 3.474 1.00 0.00 H new ATOM 0 HA CYS A 5 3.050 -3.481 2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.859 -4.138 2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.622 -3.663 0.993 1.00 0.00 H new ATOM 93 N GLU A 6 3.734 -6.235 0.538 1.00 0.00 N ATOM 94 CA GLU A 6 3.535 -6.930 -0.737 1.00 0.00 C ATOM 95 C GLU A 6 2.137 -7.518 -0.914 1.00 0.00 C ATOM 96 O GLU A 6 1.913 -8.280 -1.859 1.00 0.00 O ATOM 97 CB GLU A 6 4.658 -7.968 -0.959 1.00 0.00 C ATOM 98 CG GLU A 6 4.460 -9.387 -0.383 1.00 0.00 C ATOM 99 CD GLU A 6 4.848 -10.441 -1.417 1.00 0.00 C ATOM 100 OE1 GLU A 6 6.059 -10.693 -1.591 1.00 0.00 O ATOM 101 OE2 GLU A 6 3.953 -10.941 -2.141 1.00 0.00 O ATOM 0 H GLU A 6 4.022 -6.839 1.307 1.00 0.00 H new ATOM 0 HA GLU A 6 3.603 -6.179 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.817 -8.063 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.577 -7.561 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.066 -9.509 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.420 -9.524 -0.087 1.00 0.00 H new ATOM 108 N LEU A 7 1.194 -7.241 -0.010 1.00 0.00 N ATOM 109 CA LEU A 7 -0.135 -7.811 -0.122 1.00 0.00 C ATOM 110 C LEU A 7 -0.909 -7.153 -1.252 1.00 0.00 C ATOM 111 O LEU A 7 -0.509 -6.125 -1.799 1.00 0.00 O ATOM 112 CB LEU A 7 -0.876 -7.698 1.216 1.00 0.00 C ATOM 113 CG LEU A 7 -0.137 -8.349 2.399 1.00 0.00 C ATOM 114 CD1 LEU A 7 -1.051 -8.409 3.617 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.381 -9.761 2.137 1.00 0.00 C ATOM 0 H LEU A 7 1.331 -6.632 0.796 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.045 -8.870 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.041 -6.644 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.858 -8.160 1.116 1.00 0.00 H new ATOM 0 HG LEU A 7 0.733 -7.713 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.519 -8.871 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.353 -7.399 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.936 -9.000 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.886 -10.134 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.455 -10.416 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.083 -9.742 1.303 1.00 0.00 H new ATOM 127 N ALA A 8 -1.980 -7.817 -1.653 1.00 0.00 N ATOM 128 CA ALA A 8 -2.876 -7.361 -2.693 1.00 0.00 C ATOM 129 C ALA A 8 -4.018 -6.748 -1.893 1.00 0.00 C ATOM 130 O ALA A 8 -4.608 -7.472 -1.086 1.00 0.00 O ATOM 131 CB ALA A 8 -3.337 -8.527 -3.559 1.00 0.00 C ATOM 0 H ALA A 8 -2.255 -8.713 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.427 -6.658 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.010 -8.161 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.472 -9.000 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.860 -9.256 -2.940 1.00 0.00 H new ATOM 137 N PRO A 9 -4.302 -5.448 -2.011 1.00 0.00 N ATOM 138 CA PRO A 9 -5.363 -4.820 -1.252 1.00 0.00 C ATOM 139 C PRO A 9 -6.739 -5.334 -1.693 1.00 0.00 C ATOM 140 O PRO A 9 -7.158 -5.050 -2.813 1.00 0.00 O ATOM 141 CB PRO A 9 -5.208 -3.325 -1.501 1.00 0.00 C ATOM 142 CG PRO A 9 -4.551 -3.258 -2.882 1.00 0.00 C ATOM 143 CD PRO A 9 -3.680 -4.507 -2.924 1.00 0.00 C ATOM 0 HA PRO A 9 -5.295 -5.051 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.171 -2.814 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.588 -2.853 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.294 -3.260 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.958 -2.351 -3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.629 -4.916 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.658 -4.282 -2.619 1.00 0.00 H new ATOM 151 N SER A 10 -7.467 -6.041 -0.822 1.00 0.00 N ATOM 152 CA SER A 10 -8.800 -6.568 -1.122 1.00 0.00 C ATOM 153 C SER A 10 -9.833 -5.435 -0.986 1.00 0.00 C ATOM 154 O SER A 10 -10.756 -5.505 -0.174 1.00 0.00 O ATOM 155 CB SER A 10 -9.095 -7.810 -0.256 1.00 0.00 C ATOM 156 OG SER A 10 -10.229 -8.547 -0.692 1.00 0.00 O ATOM 0 H SER A 10 -7.143 -6.265 0.119 1.00 0.00 H new ATOM 0 HA SER A 10 -8.858 -6.919 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.222 -8.463 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.251 -7.495 0.776 1.00 0.00 H new ATOM 0 HG SER A 10 -10.362 -9.320 -0.105 1.00 0.00 H new ATOM 162 N ALA A 11 -9.649 -4.357 -1.753 1.00 0.00 N ATOM 163 CA ALA A 11 -10.489 -3.168 -1.780 1.00 0.00 C ATOM 164 C ALA A 11 -11.888 -3.425 -2.358 1.00 0.00 C ATOM 165 O ALA A 11 -12.721 -2.515 -2.364 1.00 0.00 O ATOM 166 CB ALA A 11 -9.769 -2.070 -2.575 1.00 0.00 C ATOM 0 H ALA A 11 -8.867 -4.292 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.648 -2.852 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.389 -1.174 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.818 -1.838 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.588 -2.417 -3.592 1.00 0.00 H new ATOM 172 N GLY A 12 -12.165 -4.624 -2.868 1.00 0.00 N ATOM 173 CA GLY A 12 -13.457 -4.998 -3.441 1.00 0.00 C ATOM 174 C GLY A 12 -14.429 -5.499 -2.369 1.00 0.00 C ATOM 175 O GLY A 12 -15.519 -5.977 -2.675 1.00 0.00 O ATOM 0 H GLY A 12 -11.481 -5.380 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.891 -4.139 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.311 -5.775 -4.191 1.00 0.00 H new ATOM 179 N SER A 13 -14.016 -5.404 -1.112 1.00 0.00 N ATOM 180 CA SER A 13 -14.681 -5.790 0.110 1.00 0.00 C ATOM 181 C SER A 13 -16.037 -5.116 0.313 1.00 0.00 C ATOM 182 O SER A 13 -17.046 -5.797 0.524 1.00 0.00 O ATOM 183 CB SER A 13 -13.700 -5.401 1.215 1.00 0.00 C ATOM 184 OG SER A 13 -13.261 -4.061 1.037 1.00 0.00 O ATOM 0 H SER A 13 -13.098 -5.007 -0.910 1.00 0.00 H new ATOM 0 HA SER A 13 -14.919 -6.854 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.178 -5.508 2.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.844 -6.076 1.204 1.00 0.00 H new ATOM 0 HG SER A 13 -13.309 -3.585 1.892 1.00 0.00 H new ATOM 190 N CYS A 14 -16.064 -3.787 0.310 1.00 0.00 N ATOM 191 CA CYS A 14 -17.240 -2.954 0.491 1.00 0.00 C ATOM 192 C CYS A 14 -17.125 -1.762 -0.446 1.00 0.00 C ATOM 193 O CYS A 14 -16.022 -1.402 -0.866 1.00 0.00 O ATOM 194 CB CYS A 14 -17.350 -2.473 1.941 1.00 0.00 C ATOM 195 SG CYS A 14 -17.760 -3.745 3.163 1.00 0.00 S ATOM 0 H CYS A 14 -15.217 -3.235 0.173 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.136 -3.532 0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.403 -2.015 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.109 -1.692 1.989 1.00 0.00 H new ATOM 200 N PHE A 15 -18.257 -1.116 -0.713 1.00 0.00 N ATOM 201 CA PHE A 15 -18.287 0.017 -1.609 1.00 0.00 C ATOM 202 C PHE A 15 -18.027 1.300 -0.834 1.00 0.00 C ATOM 203 O PHE A 15 -18.863 1.750 -0.048 1.00 0.00 O ATOM 204 CB PHE A 15 -19.657 0.063 -2.296 1.00 0.00 C ATOM 205 CG PHE A 15 -19.723 1.041 -3.446 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.731 2.429 -3.209 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.749 0.557 -4.764 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.726 3.323 -4.288 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.818 1.451 -5.841 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.800 2.834 -5.603 1.00 0.00 C ATOM 0 H PHE A 15 -19.163 -1.365 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.508 -0.082 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.904 -0.933 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.415 0.329 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.741 2.804 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.716 -0.507 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.665 4.386 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.885 1.077 -6.852 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.843 3.524 -6.433 1.00 0.00 H new ATOM 220 N ALA A 16 -16.829 1.848 -1.008 1.00 0.00 N ATOM 221 CA ALA A 16 -16.387 3.094 -0.412 1.00 0.00 C ATOM 222 C ALA A 16 -15.364 3.732 -1.352 1.00 0.00 C ATOM 223 O ALA A 16 -14.826 3.051 -2.233 1.00 0.00 O ATOM 224 CB ALA A 16 -15.798 2.834 0.973 1.00 0.00 C ATOM 0 H ALA A 16 -16.114 1.415 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.225 3.778 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.469 3.776 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.556 2.382 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.947 2.158 0.886 1.00 0.00 H new ATOM 230 N PHE A 17 -15.040 5.006 -1.132 1.00 0.00 N ATOM 231 CA PHE A 17 -14.047 5.721 -1.927 1.00 0.00 C ATOM 232 C PHE A 17 -13.077 6.442 -0.989 1.00 0.00 C ATOM 233 O PHE A 17 -13.391 7.511 -0.456 1.00 0.00 O ATOM 234 CB PHE A 17 -14.759 6.668 -2.903 1.00 0.00 C ATOM 235 CG PHE A 17 -13.894 7.250 -4.007 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.991 6.428 -4.707 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.011 8.606 -4.367 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.155 6.965 -5.697 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.215 9.133 -5.399 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.275 8.317 -6.053 1.00 0.00 C ATOM 0 H PHE A 17 -15.461 5.571 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.458 5.030 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.588 6.130 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.190 7.491 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.941 5.373 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.713 9.242 -3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.421 6.340 -6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.326 10.167 -5.690 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.646 8.730 -6.828 1.00 0.00 H new ATOM 250 N VAL A 18 -11.927 5.831 -0.716 1.00 0.00 N ATOM 251 CA VAL A 18 -10.874 6.365 0.142 1.00 0.00 C ATOM 252 C VAL A 18 -9.532 6.074 -0.542 1.00 0.00 C ATOM 253 O VAL A 18 -9.171 4.906 -0.668 1.00 0.00 O ATOM 254 CB VAL A 18 -10.983 5.823 1.584 1.00 0.00 C ATOM 255 CG1 VAL A 18 -12.090 6.568 2.344 1.00 0.00 C ATOM 256 CG2 VAL A 18 -11.281 4.321 1.664 1.00 0.00 C ATOM 0 H VAL A 18 -11.695 4.916 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.972 7.444 0.261 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.004 5.989 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.159 6.179 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.855 7.632 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.042 6.423 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.342 4.017 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.229 4.111 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.484 3.765 1.171 1.00 0.00 H new ATOM 266 N PRO A 19 -8.774 7.075 -1.005 1.00 0.00 N ATOM 267 CA PRO A 19 -7.514 6.829 -1.674 1.00 0.00 C ATOM 268 C PRO A 19 -6.416 6.500 -0.681 1.00 0.00 C ATOM 269 O PRO A 19 -6.208 7.241 0.284 1.00 0.00 O ATOM 270 CB PRO A 19 -7.181 8.123 -2.417 1.00 0.00 C ATOM 271 CG PRO A 19 -7.860 9.206 -1.585 1.00 0.00 C ATOM 272 CD PRO A 19 -9.053 8.495 -0.944 1.00 0.00 C ATOM 0 HA PRO A 19 -7.590 5.975 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.105 8.283 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.561 8.107 -3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.185 9.610 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.181 10.042 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.187 8.819 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.975 8.731 -1.475 1.00 0.00 H new ATOM 280 N SER A 20 -5.700 5.412 -0.934 1.00 0.00 N ATOM 281 CA SER A 20 -4.569 4.997 -0.109 1.00 0.00 C ATOM 282 C SER A 20 -3.312 4.860 -0.992 1.00 0.00 C ATOM 283 O SER A 20 -3.301 5.227 -2.167 1.00 0.00 O ATOM 284 CB SER A 20 -4.898 3.809 0.803 1.00 0.00 C ATOM 285 OG SER A 20 -3.809 3.546 1.659 1.00 0.00 O ATOM 0 H SER A 20 -5.887 4.789 -1.720 1.00 0.00 H new ATOM 0 HA SER A 20 -4.336 5.774 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.790 4.027 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.120 2.928 0.201 1.00 0.00 H new ATOM 0 HG SER A 20 -3.844 4.152 2.428 1.00 0.00 H new ATOM 291 N TYR A 21 -2.211 4.398 -0.412 1.00 0.00 N ATOM 292 CA TYR A 21 -0.905 4.200 -1.013 1.00 0.00 C ATOM 293 C TYR A 21 -0.561 2.712 -1.069 1.00 0.00 C ATOM 294 O TYR A 21 -0.721 2.033 -0.061 1.00 0.00 O ATOM 295 CB TYR A 21 0.093 4.976 -0.159 1.00 0.00 C ATOM 296 CG TYR A 21 0.370 6.413 -0.593 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.244 6.747 -1.661 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.273 7.448 0.110 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.467 8.086 -2.009 1.00 0.00 C ATOM 300 CE2 TYR A 21 -0.034 8.792 -0.216 1.00 0.00 C ATOM 301 CZ TYR A 21 0.840 9.114 -1.277 1.00 0.00 C ATOM 302 OH TYR A 21 1.087 10.414 -1.571 1.00 0.00 O ATOM 0 H TYR A 21 -2.213 4.131 0.572 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.882 4.561 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.273 4.992 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.037 4.431 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.742 5.962 -2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.958 7.206 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.118 8.329 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.518 9.579 0.344 1.00 0.00 H new ATOM 0 HH TYR A 21 0.571 10.989 -0.969 1.00 0.00 H new ATOM 312 N TYR A 22 -0.072 2.244 -2.225 1.00 0.00 N ATOM 313 CA TYR A 22 0.322 0.857 -2.547 1.00 0.00 C ATOM 314 C TYR A 22 1.836 0.723 -2.672 1.00 0.00 C ATOM 315 O TYR A 22 2.482 1.642 -3.166 1.00 0.00 O ATOM 316 CB TYR A 22 -0.248 0.557 -3.931 1.00 0.00 C ATOM 317 CG TYR A 22 -0.251 -0.875 -4.425 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.904 -1.422 -5.017 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.442 -1.616 -4.423 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.891 -2.716 -5.563 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.462 -2.910 -4.977 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.298 -3.474 -5.545 1.00 0.00 C ATOM 323 OH TYR A 22 -0.362 -4.681 -6.170 1.00 0.00 O ATOM 0 H TYR A 22 0.071 2.866 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.037 0.191 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.278 0.914 -3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.308 1.154 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.812 -0.838 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.341 -1.195 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.790 -3.130 -5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.380 -3.479 -4.968 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.257 -5.063 -6.054 1.00 0.00 H new ATOM 333 N TYR A 23 2.441 -0.396 -2.292 1.00 0.00 N ATOM 334 CA TYR A 23 3.900 -0.551 -2.394 1.00 0.00 C ATOM 335 C TYR A 23 4.275 -1.398 -3.612 1.00 0.00 C ATOM 336 O TYR A 23 3.587 -2.382 -3.882 1.00 0.00 O ATOM 337 CB TYR A 23 4.417 -1.145 -1.088 1.00 0.00 C ATOM 338 CG TYR A 23 5.823 -1.663 -1.157 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.906 -0.806 -0.899 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.042 -3.011 -1.476 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.216 -1.293 -0.947 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.347 -3.503 -1.501 1.00 0.00 C ATOM 343 CZ TYR A 23 8.434 -2.646 -1.257 1.00 0.00 C ATOM 344 OH TYR A 23 9.693 -3.128 -1.312 1.00 0.00 O ATOM 0 H TYR A 23 1.954 -1.208 -1.912 1.00 0.00 H new ATOM 0 HA TYR A 23 4.373 0.420 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.361 -0.384 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.757 -1.959 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.726 0.232 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.209 -3.661 -1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.050 -0.637 -0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.523 -4.548 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 23 10.306 -2.492 -0.888 1.00 0.00 H new ATOM 354 N ASN A 24 5.361 -1.048 -4.320 1.00 0.00 N ATOM 355 CA ASN A 24 5.837 -1.763 -5.507 1.00 0.00 C ATOM 356 C ASN A 24 7.320 -2.137 -5.386 1.00 0.00 C ATOM 357 O ASN A 24 8.183 -1.365 -5.814 1.00 0.00 O ATOM 358 CB ASN A 24 5.635 -0.931 -6.793 1.00 0.00 C ATOM 359 CG ASN A 24 4.188 -0.827 -7.257 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.560 -1.825 -7.606 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.644 0.377 -7.319 1.00 0.00 N ATOM 0 H ASN A 24 5.941 -0.245 -4.076 1.00 0.00 H new ATOM 0 HA ASN A 24 5.242 -2.674 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.023 0.074 -6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.229 -1.372 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.689 0.488 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.179 1.194 -7.025 1.00 0.00 H new ATOM 368 N GLN A 25 7.649 -3.326 -4.855 1.00 0.00 N ATOM 369 CA GLN A 25 9.042 -3.783 -4.737 1.00 0.00 C ATOM 370 C GLN A 25 9.712 -3.827 -6.113 1.00 0.00 C ATOM 371 O GLN A 25 10.913 -3.585 -6.193 1.00 0.00 O ATOM 372 CB GLN A 25 9.218 -5.164 -4.057 1.00 0.00 C ATOM 373 CG GLN A 25 8.305 -6.316 -4.502 1.00 0.00 C ATOM 374 CD GLN A 25 6.981 -6.306 -3.759 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.919 -6.695 -2.596 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.919 -5.832 -4.377 1.00 0.00 N ATOM 0 H GLN A 25 6.963 -3.992 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 25 9.519 -3.049 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.250 -5.480 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.081 -5.026 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.121 -6.241 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.810 -7.267 -4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.991 -5.514 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.025 -5.783 -3.889 1.00 0.00 H new ATOM 385 N TYR A 26 8.948 -4.083 -7.180 1.00 0.00 N ATOM 386 CA TYR A 26 9.449 -4.145 -8.546 1.00 0.00 C ATOM 387 C TYR A 26 10.196 -2.862 -8.928 1.00 0.00 C ATOM 388 O TYR A 26 11.209 -2.946 -9.622 1.00 0.00 O ATOM 389 CB TYR A 26 8.273 -4.381 -9.502 1.00 0.00 C ATOM 390 CG TYR A 26 7.558 -5.707 -9.331 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.176 -6.895 -9.758 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.270 -5.753 -8.767 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.512 -8.128 -9.642 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.606 -6.984 -8.624 1.00 0.00 C ATOM 395 CZ TYR A 26 6.217 -8.172 -9.084 1.00 0.00 C ATOM 396 OH TYR A 26 5.574 -9.358 -8.923 1.00 0.00 O ATOM 0 H TYR A 26 7.945 -4.255 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 26 10.158 -4.970 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.550 -3.577 -9.368 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.639 -4.313 -10.526 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.170 -6.860 -10.179 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.790 -4.841 -8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.990 -9.036 -9.978 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.630 -7.021 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 26 4.693 -9.201 -8.523 1.00 0.00 H new ATOM 406 N SER A 27 9.738 -1.701 -8.443 1.00 0.00 N ATOM 407 CA SER A 27 10.331 -0.396 -8.715 1.00 0.00 C ATOM 408 C SER A 27 10.989 0.218 -7.470 1.00 0.00 C ATOM 409 O SER A 27 11.561 1.306 -7.558 1.00 0.00 O ATOM 410 CB SER A 27 9.251 0.505 -9.325 1.00 0.00 C ATOM 411 OG SER A 27 9.748 1.758 -9.748 1.00 0.00 O ATOM 0 H SER A 27 8.922 -1.648 -7.834 1.00 0.00 H new ATOM 0 HA SER A 27 11.146 -0.507 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.798 -0.005 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.461 0.663 -8.591 1.00 0.00 H new ATOM 0 HG SER A 27 10.518 2.008 -9.196 1.00 0.00 H new ATOM 417 N ASN A 28 10.965 -0.468 -6.320 1.00 0.00 N ATOM 418 CA ASN A 28 11.558 0.005 -5.069 1.00 0.00 C ATOM 419 C ASN A 28 11.004 1.401 -4.709 1.00 0.00 C ATOM 420 O ASN A 28 11.749 2.330 -4.411 1.00 0.00 O ATOM 421 CB ASN A 28 13.101 -0.089 -5.207 1.00 0.00 C ATOM 422 CG ASN A 28 13.956 0.437 -4.056 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.781 1.331 -4.235 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.899 -0.154 -2.880 1.00 0.00 N ATOM 0 H ASN A 28 10.524 -1.384 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 28 11.282 -0.618 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.359 -1.136 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.389 0.449 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.534 0.132 -2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.220 -0.897 -2.715 1.00 0.00 H new ATOM 431 N THR A 29 9.678 1.565 -4.794 1.00 0.00 N ATOM 432 CA THR A 29 8.947 2.796 -4.477 1.00 0.00 C ATOM 433 C THR A 29 7.518 2.404 -4.070 1.00 0.00 C ATOM 434 O THR A 29 7.205 1.214 -3.916 1.00 0.00 O ATOM 435 CB THR A 29 8.995 3.804 -5.654 1.00 0.00 C ATOM 436 OG1 THR A 29 8.531 5.085 -5.250 1.00 0.00 O ATOM 437 CG2 THR A 29 8.182 3.344 -6.869 1.00 0.00 C ATOM 0 H THR A 29 9.061 0.812 -5.098 1.00 0.00 H new ATOM 0 HA THR A 29 9.417 3.318 -3.643 1.00 0.00 H new ATOM 0 HB THR A 29 10.043 3.862 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.573 5.703 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.255 4.091 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.575 2.394 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.138 3.220 -6.582 1.00 0.00 H new ATOM 445 N CYS A 30 6.642 3.385 -3.844 1.00 0.00 N ATOM 446 CA CYS A 30 5.262 3.193 -3.486 1.00 0.00 C ATOM 447 C CYS A 30 4.469 4.174 -4.366 1.00 0.00 C ATOM 448 O CYS A 30 4.996 5.220 -4.751 1.00 0.00 O ATOM 449 CB CYS A 30 5.067 3.391 -1.979 1.00 0.00 C ATOM 450 SG CYS A 30 6.322 2.913 -0.772 1.00 0.00 S ATOM 0 H CYS A 30 6.899 4.370 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 30 4.906 2.179 -3.669 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.874 4.453 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.155 2.859 -1.709 1.00 0.00 H new ATOM 455 N HIS A 31 3.228 3.844 -4.725 1.00 0.00 N ATOM 456 CA HIS A 31 2.379 4.664 -5.571 1.00 0.00 C ATOM 457 C HIS A 31 0.945 4.639 -5.049 1.00 0.00 C ATOM 458 O HIS A 31 0.496 3.616 -4.543 1.00 0.00 O ATOM 459 CB HIS A 31 2.487 4.107 -7.000 1.00 0.00 C ATOM 460 CG HIS A 31 2.224 5.129 -8.072 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.598 4.902 -9.275 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.642 6.431 -8.065 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.616 6.042 -9.974 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.227 7.016 -9.270 1.00 0.00 N ATOM 0 H HIS A 31 2.780 2.978 -4.425 1.00 0.00 H new ATOM 0 HA HIS A 31 2.694 5.708 -5.566 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.485 3.692 -7.144 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.780 3.285 -7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.192 6.920 -7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.200 6.165 -10.963 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.361 7.986 -9.557 1.00 0.00 H new ATOM 472 N SER A 32 0.209 5.742 -5.153 1.00 0.00 N ATOM 473 CA SER A 32 -1.166 5.817 -4.676 1.00 0.00 C ATOM 474 C SER A 32 -2.084 4.880 -5.466 1.00 0.00 C ATOM 475 O SER A 32 -1.893 4.696 -6.671 1.00 0.00 O ATOM 476 CB SER A 32 -1.669 7.237 -4.828 1.00 0.00 C ATOM 477 OG SER A 32 -0.867 8.193 -4.158 1.00 0.00 O ATOM 0 H SER A 32 0.550 6.608 -5.570 1.00 0.00 H new ATOM 0 HA SER A 32 -1.179 5.513 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.711 7.488 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.688 7.296 -4.445 1.00 0.00 H new ATOM 0 HG SER A 32 -0.268 7.736 -3.531 1.00 0.00 H new ATOM 483 N PHE A 33 -3.084 4.308 -4.796 1.00 0.00 N ATOM 484 CA PHE A 33 -4.096 3.393 -5.323 1.00 0.00 C ATOM 485 C PHE A 33 -5.459 3.717 -4.684 1.00 0.00 C ATOM 486 O PHE A 33 -5.563 4.675 -3.908 1.00 0.00 O ATOM 487 CB PHE A 33 -3.650 1.932 -5.149 1.00 0.00 C ATOM 488 CG PHE A 33 -3.991 1.279 -3.821 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.284 1.613 -2.656 1.00 0.00 C ATOM 490 CD2 PHE A 33 -5.050 0.360 -3.732 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.584 1.000 -1.426 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.410 -0.185 -2.489 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.661 0.106 -1.333 1.00 0.00 C ATOM 0 H PHE A 33 -3.218 4.484 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.213 3.531 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.098 1.340 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.570 1.885 -5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.498 2.352 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.589 0.072 -4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.985 1.218 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.270 -0.834 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.912 -0.353 -0.388 1.00 0.00 H new ATOM 503 N THR A 34 -6.521 2.983 -5.013 1.00 0.00 N ATOM 504 CA THR A 34 -7.877 3.194 -4.479 1.00 0.00 C ATOM 505 C THR A 34 -8.232 2.157 -3.397 1.00 0.00 C ATOM 506 O THR A 34 -8.109 0.958 -3.654 1.00 0.00 O ATOM 507 CB THR A 34 -8.879 3.151 -5.649 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.627 2.074 -6.532 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.863 4.423 -6.491 1.00 0.00 C ATOM 0 H THR A 34 -6.467 2.207 -5.672 1.00 0.00 H new ATOM 0 HA THR A 34 -7.923 4.169 -3.995 1.00 0.00 H new ATOM 0 HB THR A 34 -9.850 3.034 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.286 2.084 -7.257 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.589 4.334 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.121 5.277 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.868 4.568 -6.912 1.00 0.00 H new ATOM 517 N TYR A 35 -8.674 2.583 -2.203 1.00 0.00 N ATOM 518 CA TYR A 35 -9.043 1.681 -1.103 1.00 0.00 C ATOM 519 C TYR A 35 -10.527 1.831 -0.735 1.00 0.00 C ATOM 520 O TYR A 35 -11.241 2.640 -1.339 1.00 0.00 O ATOM 521 CB TYR A 35 -8.142 1.882 0.127 1.00 0.00 C ATOM 522 CG TYR A 35 -8.044 0.702 1.076 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.494 -0.520 0.638 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.422 0.849 2.422 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.211 -1.537 1.561 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.191 -0.184 3.345 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.526 -1.356 2.924 1.00 0.00 C ATOM 528 OH TYR A 35 -7.079 -2.267 3.828 1.00 0.00 O ATOM 0 H TYR A 35 -8.786 3.571 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.887 0.661 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.138 2.130 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.509 2.743 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.290 -0.673 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.894 1.764 2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.753 -2.457 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.520 -0.083 4.369 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.209 -2.615 3.539 1.00 0.00 H new ATOM 538 N SER A 36 -11.003 1.063 0.248 1.00 0.00 N ATOM 539 CA SER A 36 -12.376 1.083 0.744 1.00 0.00 C ATOM 540 C SER A 36 -12.374 0.988 2.282 1.00 0.00 C ATOM 541 O SER A 36 -11.312 0.890 2.894 1.00 0.00 O ATOM 542 CB SER A 36 -13.208 0.010 0.029 1.00 0.00 C ATOM 543 OG SER A 36 -12.549 -1.236 0.023 1.00 0.00 O ATOM 0 H SER A 36 -10.418 0.385 0.737 1.00 0.00 H new ATOM 0 HA SER A 36 -12.864 2.029 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.175 -0.091 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.405 0.324 -0.996 1.00 0.00 H new ATOM 0 HG SER A 36 -12.685 -1.674 -0.843 1.00 0.00 H new ATOM 549 N GLY A 37 -13.542 1.017 2.930 1.00 0.00 N ATOM 550 CA GLY A 37 -13.637 0.961 4.382 1.00 0.00 C ATOM 551 C GLY A 37 -13.336 -0.424 4.940 1.00 0.00 C ATOM 552 O GLY A 37 -12.310 -0.629 5.595 1.00 0.00 O ATOM 0 H GLY A 37 -14.444 1.080 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.943 1.681 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.639 1.261 4.688 1.00 0.00 H new ATOM 556 N CYS A 38 -14.258 -1.364 4.727 1.00 0.00 N ATOM 557 CA CYS A 38 -14.114 -2.732 5.215 1.00 0.00 C ATOM 558 C CYS A 38 -13.079 -3.525 4.400 1.00 0.00 C ATOM 559 O CYS A 38 -12.564 -3.051 3.385 1.00 0.00 O ATOM 560 CB CYS A 38 -15.496 -3.411 5.237 1.00 0.00 C ATOM 561 SG CYS A 38 -15.954 -4.418 3.795 1.00 0.00 S ATOM 0 H CYS A 38 -15.123 -1.197 4.212 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.727 -2.709 6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.545 -4.046 6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -16.251 -2.635 5.360 1.00 0.00 H new ATOM 566 N GLY A 39 -12.814 -4.768 4.806 1.00 0.00 N ATOM 567 CA GLY A 39 -11.889 -5.690 4.158 1.00 0.00 C ATOM 568 C GLY A 39 -10.505 -5.110 3.940 1.00 0.00 C ATOM 569 O GLY A 39 -9.885 -4.613 4.888 1.00 0.00 O ATOM 0 H GLY A 39 -13.258 -5.173 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.804 -6.592 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.303 -5.990 3.196 1.00 0.00 H new ATOM 573 N GLY A 40 -10.013 -5.222 2.706 1.00 0.00 N ATOM 574 CA GLY A 40 -8.703 -4.739 2.319 1.00 0.00 C ATOM 575 C GLY A 40 -7.594 -5.590 2.934 1.00 0.00 C ATOM 576 O GLY A 40 -7.862 -6.587 3.611 1.00 0.00 O ATOM 0 H GLY A 40 -10.527 -5.659 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.614 -4.752 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.587 -3.702 2.636 1.00 0.00 H new ATOM 580 N ASN A 41 -6.338 -5.246 2.649 1.00 0.00 N ATOM 581 CA ASN A 41 -5.176 -5.957 3.187 1.00 0.00 C ATOM 582 C ASN A 41 -4.176 -4.954 3.729 1.00 0.00 C ATOM 583 O ASN A 41 -4.247 -3.764 3.419 1.00 0.00 O ATOM 584 CB ASN A 41 -4.492 -6.895 2.168 1.00 0.00 C ATOM 585 CG ASN A 41 -5.389 -8.068 1.803 1.00 0.00 C ATOM 586 OD1 ASN A 41 -6.415 -7.885 1.167 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.049 -9.278 2.219 1.00 0.00 N ATOM 0 H ASN A 41 -6.096 -4.466 2.038 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.544 -6.601 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.240 -6.334 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.556 -7.267 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.648 -10.076 2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.188 -9.412 2.749 1.00 0.00 H new ATOM 594 N ALA A 42 -3.168 -5.459 4.447 1.00 0.00 N ATOM 595 CA ALA A 42 -2.119 -4.650 5.053 1.00 0.00 C ATOM 596 C ALA A 42 -1.360 -3.762 4.053 1.00 0.00 C ATOM 597 O ALA A 42 -0.662 -2.853 4.495 1.00 0.00 O ATOM 598 CB ALA A 42 -1.164 -5.524 5.862 1.00 0.00 C ATOM 0 H ALA A 42 -3.061 -6.458 4.623 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.621 -3.957 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.388 -4.901 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.717 -6.033 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.704 -6.264 5.207 1.00 0.00 H new ATOM 604 N ASN A 43 -1.482 -4.006 2.737 1.00 0.00 N ATOM 605 CA ASN A 43 -0.848 -3.193 1.697 1.00 0.00 C ATOM 606 C ASN A 43 -1.334 -1.732 1.767 1.00 0.00 C ATOM 607 O ASN A 43 -0.685 -0.859 1.204 1.00 0.00 O ATOM 608 CB ASN A 43 -1.109 -3.842 0.329 1.00 0.00 C ATOM 609 CG ASN A 43 -1.110 -2.883 -0.860 1.00 0.00 C ATOM 610 OD1 ASN A 43 -2.082 -2.181 -1.088 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.102 -2.906 -1.713 1.00 0.00 N ATOM 0 H ASN A 43 -2.030 -4.782 2.367 1.00 0.00 H new ATOM 0 HA ASN A 43 0.230 -3.158 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.351 -4.606 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.072 -4.351 0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.137 -2.338 -2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.712 -3.492 -1.525 1.00 0.00 H new ATOM 618 N ARG A 44 -2.464 -1.448 2.428 1.00 0.00 N ATOM 619 CA ARG A 44 -2.964 -0.086 2.573 1.00 0.00 C ATOM 620 C ARG A 44 -2.077 0.635 3.581 1.00 0.00 C ATOM 621 O ARG A 44 -1.756 0.079 4.635 1.00 0.00 O ATOM 622 CB ARG A 44 -4.430 -0.125 3.014 1.00 0.00 C ATOM 623 CG ARG A 44 -4.958 1.193 3.609 1.00 0.00 C ATOM 624 CD ARG A 44 -4.983 1.238 5.132 1.00 0.00 C ATOM 625 NE ARG A 44 -5.975 0.298 5.663 1.00 0.00 N ATOM 626 CZ ARG A 44 -6.688 0.501 6.780 1.00 0.00 C ATOM 627 NH1 ARG A 44 -6.497 1.589 7.517 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.625 -0.349 7.178 1.00 0.00 N ATOM 0 H ARG A 44 -3.050 -2.155 2.872 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.928 0.455 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.046 -0.393 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.552 -0.916 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.340 2.014 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.968 1.365 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.996 0.993 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.217 2.249 5.467 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.133 -0.568 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.802 2.280 7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.045 1.733 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.821 -1.186 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.150 -0.166 8.033 1.00 0.00 H new ATOM 642 N PHE A 45 -1.750 1.892 3.294 1.00 0.00 N ATOM 643 CA PHE A 45 -0.909 2.762 4.110 1.00 0.00 C ATOM 644 C PHE A 45 -1.568 4.132 4.312 1.00 0.00 C ATOM 645 O PHE A 45 -2.731 4.333 3.966 1.00 0.00 O ATOM 646 CB PHE A 45 0.455 2.934 3.424 1.00 0.00 C ATOM 647 CG PHE A 45 1.138 1.680 2.920 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.154 0.475 3.651 1.00 0.00 C ATOM 649 CD2 PHE A 45 1.705 1.717 1.641 1.00 0.00 C ATOM 650 CE1 PHE A 45 1.676 -0.694 3.065 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.225 0.559 1.065 1.00 0.00 C ATOM 652 CZ PHE A 45 2.211 -0.653 1.768 1.00 0.00 C ATOM 0 H PHE A 45 -2.080 2.353 2.446 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.776 2.303 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.326 3.611 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.127 3.426 4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.767 0.448 4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.740 2.649 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.665 -1.624 3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.642 0.596 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.609 -1.549 1.315 1.00 0.00 H new ATOM 662 N ARG A 46 -0.816 5.084 4.877 1.00 0.00 N ATOM 663 CA ARG A 46 -1.267 6.449 5.138 1.00 0.00 C ATOM 664 C ARG A 46 -0.479 7.481 4.333 1.00 0.00 C ATOM 665 O ARG A 46 -0.977 8.576 4.091 1.00 0.00 O ATOM 666 CB ARG A 46 -1.260 6.743 6.653 1.00 0.00 C ATOM 667 CG ARG A 46 -0.180 6.070 7.526 1.00 0.00 C ATOM 668 CD ARG A 46 1.275 6.354 7.114 1.00 0.00 C ATOM 669 NE ARG A 46 1.869 5.358 6.195 1.00 0.00 N ATOM 670 CZ ARG A 46 2.251 4.113 6.541 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.932 3.576 7.711 1.00 0.00 N ATOM 672 NH2 ARG A 46 2.978 3.392 5.695 1.00 0.00 N ATOM 0 H ARG A 46 0.146 4.919 5.171 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.298 6.534 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.166 7.821 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.234 6.458 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.317 6.394 8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.341 4.992 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.318 7.335 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.888 6.407 8.014 1.00 0.00 H new ATOM 0 HE ARG A 46 2.000 5.636 5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.380 4.109 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.239 2.630 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.243 3.782 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.271 2.449 5.950 1.00 0.00 H new ATOM 686 N THR A 47 0.763 7.165 3.962 1.00 0.00 N ATOM 687 CA THR A 47 1.636 8.030 3.191 1.00 0.00 C ATOM 688 C THR A 47 2.780 7.218 2.597 1.00 0.00 C ATOM 689 O THR A 47 3.149 6.177 3.170 1.00 0.00 O ATOM 690 CB THR A 47 2.120 9.219 4.049 1.00 0.00 C ATOM 691 OG1 THR A 47 2.625 10.218 3.200 1.00 0.00 O ATOM 692 CG2 THR A 47 3.227 8.863 5.043 1.00 0.00 C ATOM 0 H THR A 47 1.195 6.272 4.200 1.00 0.00 H new ATOM 0 HA THR A 47 1.082 8.460 2.356 1.00 0.00 H new ATOM 0 HB THR A 47 1.254 9.547 4.623 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.933 10.978 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.510 9.752 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.866 8.098 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.094 8.485 4.502 1.00 0.00 H new ATOM 700 N ILE A 48 3.316 7.693 1.465 1.00 0.00 N ATOM 701 CA ILE A 48 4.446 7.074 0.782 1.00 0.00 C ATOM 702 C ILE A 48 5.673 7.246 1.669 1.00 0.00 C ATOM 703 O ILE A 48 6.461 6.322 1.780 1.00 0.00 O ATOM 704 CB ILE A 48 4.720 7.660 -0.627 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.060 7.086 -1.161 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.697 9.201 -0.681 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.337 7.414 -2.625 1.00 0.00 C ATOM 0 H ILE A 48 2.968 8.529 0.996 1.00 0.00 H new ATOM 0 HA ILE A 48 4.208 6.023 0.619 1.00 0.00 H new ATOM 0 HB ILE A 48 3.899 7.352 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.877 7.473 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.055 6.003 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.897 9.532 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.717 9.561 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.461 9.600 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.291 6.978 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.541 7.003 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.377 8.496 -2.754 1.00 0.00 H new ATOM 719 N ASP A 49 5.799 8.385 2.344 1.00 0.00 N ATOM 720 CA ASP A 49 6.911 8.729 3.220 1.00 0.00 C ATOM 721 C ASP A 49 7.167 7.640 4.266 1.00 0.00 C ATOM 722 O ASP A 49 8.314 7.367 4.616 1.00 0.00 O ATOM 723 CB ASP A 49 6.687 10.090 3.891 1.00 0.00 C ATOM 724 CG ASP A 49 6.485 11.288 2.958 1.00 0.00 C ATOM 725 OD1 ASP A 49 6.787 11.226 1.744 1.00 0.00 O ATOM 726 OD2 ASP A 49 6.008 12.332 3.466 1.00 0.00 O ATOM 0 H ASP A 49 5.098 9.124 2.292 1.00 0.00 H new ATOM 0 HA ASP A 49 7.802 8.801 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.814 10.011 4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.543 10.298 4.533 1.00 0.00 H new ATOM 731 N GLU A 50 6.118 6.996 4.793 1.00 0.00 N ATOM 732 CA GLU A 50 6.296 5.953 5.782 1.00 0.00 C ATOM 733 C GLU A 50 6.430 4.636 5.026 1.00 0.00 C ATOM 734 O GLU A 50 7.237 3.794 5.398 1.00 0.00 O ATOM 735 CB GLU A 50 5.125 5.976 6.746 1.00 0.00 C ATOM 736 CG GLU A 50 5.132 4.847 7.789 1.00 0.00 C ATOM 737 CD GLU A 50 6.295 4.899 8.778 1.00 0.00 C ATOM 738 OE1 GLU A 50 6.301 5.820 9.621 1.00 0.00 O ATOM 739 OE2 GLU A 50 7.103 3.943 8.800 1.00 0.00 O ATOM 0 H GLU A 50 5.147 7.185 4.546 1.00 0.00 H new ATOM 0 HA GLU A 50 7.192 6.096 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.119 6.934 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.199 5.918 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.196 4.881 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.158 3.890 7.268 1.00 0.00 H new ATOM 746 N CYS A 51 5.644 4.442 3.957 1.00 0.00 N ATOM 747 CA CYS A 51 5.727 3.224 3.157 1.00 0.00 C ATOM 748 C CYS A 51 7.160 2.963 2.687 1.00 0.00 C ATOM 749 O CYS A 51 7.637 1.829 2.719 1.00 0.00 O ATOM 750 CB CYS A 51 4.821 3.314 1.923 1.00 0.00 C ATOM 751 SG CYS A 51 5.148 2.048 0.670 1.00 0.00 S ATOM 0 H CYS A 51 4.948 5.113 3.632 1.00 0.00 H new ATOM 0 HA CYS A 51 5.400 2.404 3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.782 3.234 2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.940 4.298 1.469 1.00 0.00 H new ATOM 756 N ASN A 52 7.830 4.011 2.220 1.00 0.00 N ATOM 757 CA ASN A 52 9.177 3.906 1.722 1.00 0.00 C ATOM 758 C ASN A 52 10.120 3.674 2.885 1.00 0.00 C ATOM 759 O ASN A 52 10.799 2.647 2.893 1.00 0.00 O ATOM 760 CB ASN A 52 9.551 5.055 0.771 1.00 0.00 C ATOM 761 CG ASN A 52 10.110 6.298 1.430 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.232 6.311 1.921 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.325 7.350 1.454 1.00 0.00 N ATOM 0 H ASN A 52 7.445 4.955 2.180 1.00 0.00 H new ATOM 0 HA ASN A 52 9.268 3.034 1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.285 4.685 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.664 5.335 0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.644 8.214 1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.396 7.303 1.035 1.00 0.00 H new ATOM 770 N ARG A 53 10.090 4.509 3.929 1.00 0.00 N ATOM 771 CA ARG A 53 11.009 4.306 5.051 1.00 0.00 C ATOM 772 C ARG A 53 10.874 2.919 5.710 1.00 0.00 C ATOM 773 O ARG A 53 11.866 2.346 6.160 1.00 0.00 O ATOM 774 CB ARG A 53 10.913 5.497 6.027 1.00 0.00 C ATOM 775 CG ARG A 53 9.851 5.354 7.119 1.00 0.00 C ATOM 776 CD ARG A 53 9.782 6.598 8.017 1.00 0.00 C ATOM 777 NE ARG A 53 10.816 6.554 9.064 1.00 0.00 N ATOM 778 CZ ARG A 53 11.353 7.577 9.740 1.00 0.00 C ATOM 779 NH1 ARG A 53 11.145 8.840 9.381 1.00 0.00 N ATOM 780 NH2 ARG A 53 12.107 7.316 10.797 1.00 0.00 N ATOM 0 H ARG A 53 9.461 5.307 4.020 1.00 0.00 H new ATOM 0 HA ARG A 53 12.028 4.292 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.884 5.637 6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.704 6.401 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.878 5.184 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.073 4.478 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.911 7.495 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.796 6.664 8.478 1.00 0.00 H new ATOM 0 HE ARG A 53 11.168 5.627 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.563 9.051 8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.568 9.599 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.269 6.350 11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.526 8.081 11.326 1.00 0.00 H new ATOM 794 N THR A 54 9.681 2.326 5.691 1.00 0.00 N ATOM 795 CA THR A 54 9.383 1.032 6.291 1.00 0.00 C ATOM 796 C THR A 54 9.504 -0.183 5.350 1.00 0.00 C ATOM 797 O THR A 54 9.492 -1.314 5.849 1.00 0.00 O ATOM 798 CB THR A 54 7.982 1.167 6.924 1.00 0.00 C ATOM 799 OG1 THR A 54 7.906 0.507 8.167 1.00 0.00 O ATOM 800 CG2 THR A 54 6.834 0.706 6.025 1.00 0.00 C ATOM 0 H THR A 54 8.870 2.750 5.241 1.00 0.00 H new ATOM 0 HA THR A 54 10.144 0.804 7.037 1.00 0.00 H new ATOM 0 HB THR A 54 7.853 2.240 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.006 0.614 8.540 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.887 0.836 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.827 1.299 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.968 -0.346 5.774 1.00 0.00 H new ATOM 808 N CYS A 55 9.601 -0.010 4.024 1.00 0.00 N ATOM 809 CA CYS A 55 9.683 -1.115 3.073 1.00 0.00 C ATOM 810 C CYS A 55 10.765 -0.930 2.022 1.00 0.00 C ATOM 811 O CYS A 55 11.548 -1.857 1.846 1.00 0.00 O ATOM 812 CB CYS A 55 8.315 -1.342 2.404 1.00 0.00 C ATOM 813 SG CYS A 55 6.957 -1.673 3.564 1.00 0.00 S ATOM 0 H CYS A 55 9.625 0.910 3.584 1.00 0.00 H new ATOM 0 HA CYS A 55 9.964 -1.998 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.064 -0.462 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.397 -2.180 1.712 1.00 0.00 H new ATOM 818 N VAL A 56 10.793 0.198 1.314 1.00 0.00 N ATOM 819 CA VAL A 56 11.764 0.496 0.263 1.00 0.00 C ATOM 820 C VAL A 56 13.188 0.231 0.758 1.00 0.00 C ATOM 821 O VAL A 56 13.660 0.868 1.704 1.00 0.00 O ATOM 822 CB VAL A 56 11.509 1.916 -0.280 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.625 2.522 -1.129 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.200 1.899 -1.091 1.00 0.00 C ATOM 0 H VAL A 56 10.121 0.951 1.460 1.00 0.00 H new ATOM 0 HA VAL A 56 11.640 -0.174 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 56 11.454 2.560 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.333 3.521 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.538 2.585 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.801 1.893 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.002 2.896 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.293 1.195 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.376 1.593 -0.446 1.00 0.00 H new ATOM 834 N GLY A 57 13.831 -0.768 0.154 1.00 0.00 N ATOM 835 CA GLY A 57 15.190 -1.179 0.459 1.00 0.00 C ATOM 836 C GLY A 57 16.158 -0.073 0.097 1.00 0.00 C ATOM 837 O GLY A 57 16.013 0.496 -1.007 1.00 0.00 O ATOM 0 H GLY A 57 13.402 -1.327 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.277 -1.418 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.437 -2.086 -0.093 1.00 0.00 H new TER 841 GLY A 57