USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 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 41 THR OG1 : rot -133:sc= 0.658 USER MOD Set 1.2: A 49 THR OG1 : rot -150:sc= 0.597 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.2) USER MOD Single : A 21 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-0.85) USER MOD Single : A 24 SER OG : rot -104:sc= 0.231 USER MOD Single : A 26 HIS : no HE2:sc= 0.283 K(o=0.28,f=-3.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.301 K(o=0.3,f=-6.6!) USER MOD Single : A 39 GLN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00818 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -13.023 -0.631 -0.344 1.00 0.00 N ATOM 29 CA CYS A 3 -11.690 -1.177 -0.150 1.00 0.00 C ATOM 30 C CYS A 3 -11.511 -2.452 -0.988 1.00 0.00 C ATOM 31 O CYS A 3 -11.608 -3.563 -0.467 1.00 0.00 O ATOM 32 CB CYS A 3 -11.451 -1.428 1.340 1.00 0.00 C ATOM 33 SG CYS A 3 -12.734 -2.372 2.212 1.00 0.00 S ATOM 0 HA CYS A 3 -10.943 -0.460 -0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.503 -1.955 1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.339 -0.464 1.836 1.00 0.00 H new ATOM 38 N PRO A 4 -11.246 -2.296 -2.295 1.00 0.00 N ATOM 39 CA PRO A 4 -11.068 -3.395 -3.230 1.00 0.00 C ATOM 40 C PRO A 4 -9.715 -4.078 -3.040 1.00 0.00 C ATOM 41 O PRO A 4 -8.907 -3.657 -2.214 1.00 0.00 O ATOM 42 CB PRO A 4 -11.180 -2.748 -4.610 1.00 0.00 C ATOM 43 CG PRO A 4 -10.595 -1.356 -4.373 1.00 0.00 C ATOM 44 CD PRO A 4 -11.100 -1.019 -2.972 1.00 0.00 C ATOM 0 HA PRO A 4 -11.809 -4.181 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.619 -3.301 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.214 -2.701 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.506 -1.360 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.945 -0.637 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.396 -0.374 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.050 -0.486 -3.015 1.00 0.00 H new ATOM 52 N THR A 5 -9.475 -5.140 -3.813 1.00 0.00 N ATOM 53 CA THR A 5 -8.227 -5.891 -3.763 1.00 0.00 C ATOM 54 C THR A 5 -7.496 -5.770 -5.098 1.00 0.00 C ATOM 55 O THR A 5 -8.099 -5.973 -6.149 1.00 0.00 O ATOM 56 CB THR A 5 -8.509 -7.361 -3.456 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.363 -7.474 -2.341 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.207 -8.105 -3.157 1.00 0.00 C ATOM 0 H THR A 5 -10.145 -5.501 -4.492 1.00 0.00 H new ATOM 0 HA THR A 5 -7.599 -5.480 -2.972 1.00 0.00 H new ATOM 0 HB THR A 5 -8.988 -7.801 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.537 -8.421 -2.157 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.427 -9.150 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.547 -8.045 -4.022 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.718 -7.651 -2.295 1.00 0.00 H new ATOM 66 N ARG A 6 -6.202 -5.441 -5.056 1.00 0.00 N ATOM 67 CA ARG A 6 -5.359 -5.354 -6.246 1.00 0.00 C ATOM 68 C ARG A 6 -3.962 -5.866 -5.907 1.00 0.00 C ATOM 69 O ARG A 6 -3.470 -5.615 -4.807 1.00 0.00 O ATOM 70 CB ARG A 6 -5.269 -3.897 -6.715 1.00 0.00 C ATOM 71 CG ARG A 6 -6.605 -3.321 -7.189 1.00 0.00 C ATOM 72 CD ARG A 6 -7.079 -4.005 -8.471 1.00 0.00 C ATOM 73 NE ARG A 6 -8.269 -3.342 -9.018 1.00 0.00 N ATOM 74 CZ ARG A 6 -9.530 -3.714 -8.779 1.00 0.00 C ATOM 75 NH1 ARG A 6 -9.806 -4.740 -7.979 1.00 0.00 N ATOM 76 NH2 ARG A 6 -10.531 -3.051 -9.346 1.00 0.00 N ATOM 0 H ARG A 6 -5.709 -5.227 -4.189 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.792 -5.959 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.888 -3.284 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.545 -3.830 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.355 -3.446 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.501 -2.250 -7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.279 -3.990 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.305 -5.051 -8.266 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.122 -2.537 -9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.048 -5.259 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.775 -5.008 -7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.336 -2.261 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.495 -3.332 -9.166 1.00 0.00 H new ATOM 90 N ARG A 7 -3.320 -6.577 -6.842 1.00 0.00 N ATOM 91 CA ARG A 7 -2.004 -7.175 -6.610 1.00 0.00 C ATOM 92 C ARG A 7 -1.020 -6.866 -7.739 1.00 0.00 C ATOM 93 O ARG A 7 0.191 -6.903 -7.519 1.00 0.00 O ATOM 94 CB ARG A 7 -2.156 -8.700 -6.494 1.00 0.00 C ATOM 95 CG ARG A 7 -3.183 -9.169 -5.458 1.00 0.00 C ATOM 96 CD ARG A 7 -2.854 -8.727 -4.032 1.00 0.00 C ATOM 97 NE ARG A 7 -1.514 -9.163 -3.626 1.00 0.00 N ATOM 98 CZ ARG A 7 -0.545 -8.340 -3.215 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.752 -7.027 -3.127 1.00 0.00 N ATOM 100 NH2 ARG A 7 0.648 -8.826 -2.888 1.00 0.00 N ATOM 0 H ARG A 7 -3.697 -6.752 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.607 -6.747 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.438 -9.098 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.186 -9.129 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.166 -8.785 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.247 -10.257 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.920 -7.641 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.594 -9.136 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.308 -10.161 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.661 -6.636 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.002 -6.412 -2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.825 -9.829 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.387 -8.196 -2.574 1.00 0.00 H new ATOM 114 N GLY A 8 -1.526 -6.562 -8.941 1.00 0.00 N ATOM 115 CA GLY A 8 -0.706 -6.383 -10.135 1.00 0.00 C ATOM 116 C GLY A 8 -0.432 -4.918 -10.475 1.00 0.00 C ATOM 117 O GLY A 8 -0.040 -4.614 -11.600 1.00 0.00 O ATOM 0 H GLY A 8 -2.524 -6.433 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.244 -6.898 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.203 -6.857 -10.981 1.00 0.00 H new ATOM 121 N LEU A 9 -0.639 -4.005 -9.520 1.00 0.00 N ATOM 122 CA LEU A 9 -0.518 -2.573 -9.755 1.00 0.00 C ATOM 123 C LEU A 9 0.865 -2.173 -10.265 1.00 0.00 C ATOM 124 O LEU A 9 0.988 -1.139 -10.923 1.00 0.00 O ATOM 125 CB LEU A 9 -0.812 -1.839 -8.450 1.00 0.00 C ATOM 126 CG LEU A 9 -2.253 -2.053 -7.984 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.419 -1.450 -6.597 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.243 -1.380 -8.936 1.00 0.00 C ATOM 0 H LEU A 9 -0.895 -4.245 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.233 -2.300 -10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.126 -2.185 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.629 -0.773 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.457 -3.124 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.444 -1.598 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.733 -1.937 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.200 -0.383 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.260 -1.548 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.043 -0.309 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.133 -1.803 -9.934 1.00 0.00 H new ATOM 140 N CYS A 10 1.902 -2.965 -9.977 1.00 0.00 N ATOM 141 CA CYS A 10 3.254 -2.621 -10.390 1.00 0.00 C ATOM 142 C CYS A 10 3.537 -3.054 -11.831 1.00 0.00 C ATOM 143 O CYS A 10 4.669 -2.955 -12.302 1.00 0.00 O ATOM 144 CB CYS A 10 4.265 -3.167 -9.384 1.00 0.00 C ATOM 145 SG CYS A 10 5.850 -2.281 -9.399 1.00 0.00 S ATOM 0 H CYS A 10 1.826 -3.842 -9.462 1.00 0.00 H new ATOM 0 HA CYS A 10 3.356 -1.536 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.836 -3.112 -8.383 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.445 -4.221 -9.596 1.00 0.00 H new ATOM 150 N VAL A 11 2.505 -3.535 -12.537 1.00 0.00 N ATOM 151 CA VAL A 11 2.606 -3.946 -13.930 1.00 0.00 C ATOM 152 C VAL A 11 1.552 -3.233 -14.772 1.00 0.00 C ATOM 153 O VAL A 11 1.740 -3.056 -15.975 1.00 0.00 O ATOM 154 CB VAL A 11 2.444 -5.467 -14.034 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.683 -5.950 -15.461 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.445 -6.179 -13.126 1.00 0.00 C ATOM 0 H VAL A 11 1.570 -3.648 -12.146 1.00 0.00 H new ATOM 0 HA VAL A 11 3.589 -3.671 -14.313 1.00 0.00 H new ATOM 0 HB VAL A 11 1.423 -5.700 -13.730 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.561 -7.032 -15.504 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.964 -5.477 -16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.694 -5.686 -15.770 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.313 -7.257 -13.215 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.459 -5.912 -13.422 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.278 -5.877 -12.092 1.00 0.00 H new ATOM 166 N THR A 12 0.439 -2.814 -14.160 1.00 0.00 N ATOM 167 CA THR A 12 -0.628 -2.127 -14.877 1.00 0.00 C ATOM 168 C THR A 12 -0.403 -0.614 -14.898 1.00 0.00 C ATOM 169 O THR A 12 -1.032 0.091 -15.685 1.00 0.00 O ATOM 170 CB THR A 12 -1.981 -2.449 -14.241 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.964 -2.081 -12.879 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.289 -3.942 -14.349 1.00 0.00 C ATOM 0 H THR A 12 0.258 -2.942 -13.164 1.00 0.00 H new ATOM 0 HA THR A 12 -0.622 -2.481 -15.908 1.00 0.00 H new ATOM 0 HB THR A 12 -2.751 -1.889 -14.771 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.832 -2.287 -12.474 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.256 -4.148 -13.890 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.316 -4.233 -15.399 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.515 -4.511 -13.835 1.00 0.00 H new ATOM 180 N SER A 13 0.489 -0.110 -14.039 1.00 0.00 N ATOM 181 CA SER A 13 0.825 1.308 -14.012 1.00 0.00 C ATOM 182 C SER A 13 2.231 1.527 -13.470 1.00 0.00 C ATOM 183 O SER A 13 2.967 2.381 -13.963 1.00 0.00 O ATOM 184 CB SER A 13 -0.171 2.015 -13.100 1.00 0.00 C ATOM 185 OG SER A 13 0.023 3.412 -13.171 1.00 0.00 O ATOM 0 H SER A 13 0.991 -0.671 -13.351 1.00 0.00 H new ATOM 0 HA SER A 13 0.782 1.704 -15.027 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.190 1.765 -13.396 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.044 1.673 -12.073 1.00 0.00 H new ATOM 0 HG SER A 13 -0.620 3.862 -12.584 1.00 0.00 H new ATOM 191 N GLY A 14 2.604 0.745 -12.452 1.00 0.00 N ATOM 192 CA GLY A 14 3.919 0.820 -11.828 1.00 0.00 C ATOM 193 C GLY A 14 3.795 1.094 -10.336 1.00 0.00 C ATOM 194 O GLY A 14 2.708 1.004 -9.766 1.00 0.00 O ATOM 0 H GLY A 14 1.994 0.039 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.456 -0.115 -11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.506 1.608 -12.299 1.00 0.00 H new ATOM 198 N LEU A 15 4.920 1.432 -9.697 1.00 0.00 N ATOM 199 CA LEU A 15 4.965 1.676 -8.264 1.00 0.00 C ATOM 200 C LEU A 15 4.033 2.823 -7.865 1.00 0.00 C ATOM 201 O LEU A 15 3.549 2.858 -6.736 1.00 0.00 O ATOM 202 CB LEU A 15 6.413 1.996 -7.881 1.00 0.00 C ATOM 203 CG LEU A 15 6.560 2.407 -6.412 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.095 1.301 -5.462 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.028 2.718 -6.126 1.00 0.00 C ATOM 0 H LEU A 15 5.820 1.542 -10.164 1.00 0.00 H new ATOM 0 HA LEU A 15 4.622 0.789 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.037 1.123 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.784 2.799 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 15 5.935 3.284 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.216 1.633 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.045 1.077 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.693 0.404 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.141 3.011 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.632 1.832 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.359 3.533 -6.770 1.00 0.00 H new ATOM 217 N THR A 16 3.770 3.760 -8.778 1.00 0.00 N ATOM 218 CA THR A 16 2.913 4.902 -8.486 1.00 0.00 C ATOM 219 C THR A 16 1.504 4.455 -8.110 1.00 0.00 C ATOM 220 O THR A 16 0.913 5.009 -7.187 1.00 0.00 O ATOM 221 CB THR A 16 2.870 5.838 -9.695 1.00 0.00 C ATOM 222 OG1 THR A 16 4.186 6.138 -10.107 1.00 0.00 O ATOM 223 CG2 THR A 16 2.155 7.141 -9.353 1.00 0.00 C ATOM 0 H THR A 16 4.141 3.747 -9.728 1.00 0.00 H new ATOM 0 HA THR A 16 3.330 5.435 -7.632 1.00 0.00 H new ATOM 0 HB THR A 16 2.326 5.335 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.158 6.736 -10.883 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.139 7.788 -10.230 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.133 6.924 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.682 7.643 -8.542 1.00 0.00 H new ATOM 231 N ALA A 17 0.951 3.456 -8.808 1.00 0.00 N ATOM 232 CA ALA A 17 -0.387 2.979 -8.497 1.00 0.00 C ATOM 233 C ALA A 17 -0.364 2.062 -7.277 1.00 0.00 C ATOM 234 O ALA A 17 -1.349 1.977 -6.551 1.00 0.00 O ATOM 235 CB ALA A 17 -0.962 2.253 -9.711 1.00 0.00 C ATOM 0 H ALA A 17 1.408 2.972 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.023 3.831 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.965 1.895 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.008 2.939 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.324 1.406 -9.965 1.00 0.00 H new ATOM 241 N CYS A 18 0.756 1.373 -7.048 1.00 0.00 N ATOM 242 CA CYS A 18 0.910 0.516 -5.881 1.00 0.00 C ATOM 243 C CYS A 18 0.986 1.376 -4.621 1.00 0.00 C ATOM 244 O CYS A 18 0.528 0.959 -3.559 1.00 0.00 O ATOM 245 CB CYS A 18 2.166 -0.338 -6.063 1.00 0.00 C ATOM 246 SG CYS A 18 2.614 -1.359 -4.635 1.00 0.00 S ATOM 0 H CYS A 18 1.571 1.395 -7.661 1.00 0.00 H new ATOM 0 HA CYS A 18 0.053 -0.149 -5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.022 -0.989 -6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.003 0.320 -6.297 1.00 0.00 H new ATOM 251 N ARG A 19 1.559 2.578 -4.730 1.00 0.00 N ATOM 252 CA ARG A 19 1.677 3.491 -3.601 1.00 0.00 C ATOM 253 C ARG A 19 0.360 4.211 -3.349 1.00 0.00 C ATOM 254 O ARG A 19 -0.001 4.460 -2.203 1.00 0.00 O ATOM 255 CB ARG A 19 2.796 4.486 -3.900 1.00 0.00 C ATOM 256 CG ARG A 19 3.158 5.263 -2.635 1.00 0.00 C ATOM 257 CD ARG A 19 4.331 6.201 -2.914 1.00 0.00 C ATOM 258 NE ARG A 19 4.738 6.909 -1.696 1.00 0.00 N ATOM 259 CZ ARG A 19 4.357 8.148 -1.375 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.545 8.840 -2.170 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.793 8.703 -0.248 1.00 0.00 N ATOM 0 H ARG A 19 1.950 2.939 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 19 1.917 2.932 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.673 3.958 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.480 5.176 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.297 5.837 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.418 4.570 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.173 5.630 -3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.050 6.922 -3.682 1.00 0.00 H new ATOM 0 HE ARG A 19 5.356 6.420 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.205 8.425 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.262 9.785 -1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.417 8.183 0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.504 9.649 -0.000 1.00 0.00 H new ATOM 275 N ASN A 20 -0.362 4.540 -4.421 1.00 0.00 N ATOM 276 CA ASN A 20 -1.653 5.208 -4.310 1.00 0.00 C ATOM 277 C ASN A 20 -2.730 4.241 -3.811 1.00 0.00 C ATOM 278 O ASN A 20 -3.777 4.689 -3.347 1.00 0.00 O ATOM 279 CB ASN A 20 -2.037 5.793 -5.671 1.00 0.00 C ATOM 280 CG ASN A 20 -1.100 6.908 -6.116 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.279 7.401 -5.347 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.222 7.317 -7.377 1.00 0.00 N ATOM 0 H ASN A 20 -0.070 4.352 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.575 6.015 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.031 4.999 -6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.056 6.178 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.623 8.062 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.915 6.885 -7.988 1.00 0.00 H new ATOM 289 N HIS A 21 -2.478 2.933 -3.900 1.00 0.00 N ATOM 290 CA HIS A 21 -3.395 1.921 -3.394 1.00 0.00 C ATOM 291 C HIS A 21 -3.091 1.583 -1.938 1.00 0.00 C ATOM 292 O HIS A 21 -3.995 1.244 -1.175 1.00 0.00 O ATOM 293 CB HIS A 21 -3.262 0.681 -4.276 1.00 0.00 C ATOM 294 CG HIS A 21 -4.162 -0.458 -3.872 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.514 -0.568 -4.118 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.784 -1.583 -3.194 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.929 -1.739 -3.604 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.908 -2.402 -3.033 1.00 0.00 N ATOM 0 H HIS A 21 -1.633 2.551 -4.325 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.417 2.299 -3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.482 0.956 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.227 0.339 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.787 -1.803 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.946 -2.099 -3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.945 -3.314 -2.577 1.00 0.00 H new ATOM 306 N CYS A 22 -1.818 1.680 -1.542 1.00 0.00 N ATOM 307 CA CYS A 22 -1.427 1.461 -0.159 1.00 0.00 C ATOM 308 C CYS A 22 -1.747 2.675 0.714 1.00 0.00 C ATOM 309 O CYS A 22 -1.930 2.522 1.918 1.00 0.00 O ATOM 310 CB CYS A 22 0.065 1.139 -0.103 1.00 0.00 C ATOM 311 SG CYS A 22 0.508 -0.481 -0.783 1.00 0.00 S ATOM 0 H CYS A 22 -1.045 1.909 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.998 0.620 0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.611 1.909 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.396 1.187 0.935 1.00 0.00 H new ATOM 316 N ARG A 23 -1.821 3.872 0.115 1.00 0.00 N ATOM 317 CA ARG A 23 -2.144 5.103 0.835 1.00 0.00 C ATOM 318 C ARG A 23 -3.652 5.344 0.876 1.00 0.00 C ATOM 319 O ARG A 23 -4.103 6.405 1.304 1.00 0.00 O ATOM 320 CB ARG A 23 -1.387 6.288 0.229 1.00 0.00 C ATOM 321 CG ARG A 23 0.104 6.164 0.550 1.00 0.00 C ATOM 322 CD ARG A 23 0.894 7.307 -0.081 1.00 0.00 C ATOM 323 NE ARG A 23 0.439 8.620 0.393 1.00 0.00 N ATOM 324 CZ ARG A 23 0.762 9.163 1.573 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.545 8.521 2.438 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.294 10.365 1.893 1.00 0.00 N ATOM 0 H ARG A 23 -1.658 4.010 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.818 4.995 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.536 6.314 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.778 7.224 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.249 6.169 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.481 5.210 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.953 7.186 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.796 7.260 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.169 9.159 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.911 7.597 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.779 8.953 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.308 10.868 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.536 10.784 2.791 1.00 0.00 H new ATOM 340 N SER A 24 -4.427 4.355 0.428 1.00 0.00 N ATOM 341 CA SER A 24 -5.879 4.363 0.493 1.00 0.00 C ATOM 342 C SER A 24 -6.346 3.041 1.091 1.00 0.00 C ATOM 343 O SER A 24 -5.550 2.113 1.245 1.00 0.00 O ATOM 344 CB SER A 24 -6.473 4.594 -0.897 1.00 0.00 C ATOM 345 OG SER A 24 -6.140 3.523 -1.753 1.00 0.00 O ATOM 0 H SER A 24 -4.048 3.509 0.001 1.00 0.00 H new ATOM 0 HA SER A 24 -6.223 5.179 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.557 4.689 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.097 5.530 -1.310 1.00 0.00 H new ATOM 0 HG SER A 24 -5.428 3.803 -2.365 1.00 0.00 H new ATOM 351 N CYS A 25 -7.629 2.941 1.435 1.00 0.00 N ATOM 352 CA CYS A 25 -8.135 1.730 2.054 1.00 0.00 C ATOM 353 C CYS A 25 -8.276 0.614 1.023 1.00 0.00 C ATOM 354 O CYS A 25 -8.836 0.819 -0.055 1.00 0.00 O ATOM 355 CB CYS A 25 -9.448 2.021 2.778 1.00 0.00 C ATOM 356 SG CYS A 25 -9.310 3.378 3.971 1.00 0.00 S ATOM 0 H CYS A 25 -8.323 3.675 1.296 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.420 1.382 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.215 2.266 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.779 1.121 3.296 1.00 0.00 H new ATOM 361 N HIS A 26 -7.763 -0.569 1.357 1.00 0.00 N ATOM 362 CA HIS A 26 -7.778 -1.736 0.489 1.00 0.00 C ATOM 363 C HIS A 26 -7.966 -2.989 1.338 1.00 0.00 C ATOM 364 O HIS A 26 -7.840 -2.935 2.563 1.00 0.00 O ATOM 365 CB HIS A 26 -6.455 -1.789 -0.273 1.00 0.00 C ATOM 366 CG HIS A 26 -5.271 -1.698 0.650 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.552 -0.554 0.936 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.729 -2.728 1.368 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.596 -0.877 1.826 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.690 -2.192 2.104 1.00 0.00 N ATOM 0 H HIS A 26 -7.317 -0.742 2.258 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.599 -1.677 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.401 -2.717 -0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.418 -0.971 -0.993 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.717 0.372 0.542 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.050 -3.759 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.873 -0.195 2.248 1.00 0.00 H new ATOM 379 N ARG A 27 -8.268 -4.123 0.701 1.00 0.00 N ATOM 380 CA ARG A 27 -8.512 -5.365 1.422 1.00 0.00 C ATOM 381 C ARG A 27 -7.191 -5.957 1.910 1.00 0.00 C ATOM 382 O ARG A 27 -6.281 -6.192 1.116 1.00 0.00 O ATOM 383 CB ARG A 27 -9.276 -6.325 0.510 1.00 0.00 C ATOM 384 CG ARG A 27 -10.310 -7.164 1.270 1.00 0.00 C ATOM 385 CD ARG A 27 -9.668 -8.025 2.356 1.00 0.00 C ATOM 386 NE ARG A 27 -10.661 -8.892 2.997 1.00 0.00 N ATOM 387 CZ ARG A 27 -10.362 -10.030 3.634 1.00 0.00 C ATOM 388 NH1 ARG A 27 -9.103 -10.445 3.741 1.00 0.00 N ATOM 389 NH2 ARG A 27 -11.332 -10.761 4.175 1.00 0.00 N ATOM 0 H ARG A 27 -8.348 -4.202 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.122 -5.178 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.779 -5.755 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.568 -6.989 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.050 -6.504 1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.842 -7.805 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.876 -8.634 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.203 -7.384 3.105 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.640 -8.610 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.348 -9.893 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.893 -11.315 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.302 -10.454 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.106 -11.629 4.661 1.00 0.00 H new ATOM 403 N GLY A 28 -7.096 -6.197 3.220 1.00 0.00 N ATOM 404 CA GLY A 28 -5.932 -6.806 3.850 1.00 0.00 C ATOM 405 C GLY A 28 -6.066 -8.327 3.903 1.00 0.00 C ATOM 406 O GLY A 28 -6.816 -8.924 3.135 1.00 0.00 O ATOM 0 H GLY A 28 -7.840 -5.968 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.033 -6.536 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.814 -6.413 4.860 1.00 0.00 H new ATOM 410 N ASP A 29 -5.325 -8.961 4.820 1.00 0.00 N ATOM 411 CA ASP A 29 -5.304 -10.415 4.942 1.00 0.00 C ATOM 412 C ASP A 29 -6.491 -10.946 5.749 1.00 0.00 C ATOM 413 O ASP A 29 -6.846 -12.117 5.623 1.00 0.00 O ATOM 414 CB ASP A 29 -3.984 -10.814 5.598 1.00 0.00 C ATOM 415 CG ASP A 29 -3.807 -12.329 5.639 1.00 0.00 C ATOM 416 OD1 ASP A 29 -3.670 -12.923 4.549 1.00 0.00 O ATOM 417 OD2 ASP A 29 -3.807 -12.884 6.763 1.00 0.00 O ATOM 0 H ASP A 29 -4.728 -8.480 5.492 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.389 -10.856 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.155 -10.366 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.947 -10.416 6.612 1.00 0.00 H new ATOM 422 N VAL A 30 -7.110 -10.093 6.575 1.00 0.00 N ATOM 423 CA VAL A 30 -8.227 -10.490 7.425 1.00 0.00 C ATOM 424 C VAL A 30 -9.339 -9.434 7.434 1.00 0.00 C ATOM 425 O VAL A 30 -10.429 -9.681 7.943 1.00 0.00 O ATOM 426 CB VAL A 30 -7.683 -10.778 8.828 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.167 -9.501 9.491 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.748 -11.410 9.718 1.00 0.00 C ATOM 0 H VAL A 30 -6.847 -9.112 6.669 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.690 -11.394 7.029 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.858 -11.480 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.787 -9.735 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.365 -9.076 8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.980 -8.780 9.574 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.330 -11.602 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.596 -10.731 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.081 -12.349 9.276 1.00 0.00 H new ATOM 438 N GLY A 31 -9.071 -8.252 6.873 1.00 0.00 N ATOM 439 CA GLY A 31 -10.029 -7.155 6.835 1.00 0.00 C ATOM 440 C GLY A 31 -9.421 -5.971 6.092 1.00 0.00 C ATOM 441 O GLY A 31 -8.241 -6.011 5.739 1.00 0.00 O ATOM 0 H GLY A 31 -8.178 -8.033 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.946 -7.476 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.301 -6.861 7.849 1.00 0.00 H new ATOM 445 N CYS A 32 -10.202 -4.918 5.844 1.00 0.00 N ATOM 446 CA CYS A 32 -9.692 -3.768 5.113 1.00 0.00 C ATOM 447 C CYS A 32 -8.792 -2.904 5.989 1.00 0.00 C ATOM 448 O CYS A 32 -9.064 -2.690 7.173 1.00 0.00 O ATOM 449 CB CYS A 32 -10.835 -2.965 4.500 1.00 0.00 C ATOM 450 SG CYS A 32 -11.663 -3.830 3.144 1.00 0.00 S ATOM 0 H CYS A 32 -11.176 -4.842 6.136 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.074 -4.135 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.565 -2.734 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.448 -2.014 4.134 1.00 0.00 H new ATOM 455 N VAL A 33 -7.708 -2.411 5.388 1.00 0.00 N ATOM 456 CA VAL A 33 -6.699 -1.599 6.055 1.00 0.00 C ATOM 457 C VAL A 33 -6.164 -0.528 5.116 1.00 0.00 C ATOM 458 O VAL A 33 -6.438 -0.549 3.917 1.00 0.00 O ATOM 459 CB VAL A 33 -5.543 -2.491 6.536 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.012 -3.541 7.547 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.874 -3.209 5.363 1.00 0.00 C ATOM 0 H VAL A 33 -7.506 -2.571 4.401 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.162 -1.111 6.913 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.827 -1.827 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.163 -4.149 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.442 -3.043 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.765 -4.180 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.060 -3.832 5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.607 -3.835 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.477 -2.473 4.664 1.00 0.00 H new ATOM 471 N ARG A 34 -5.394 0.411 5.666 1.00 0.00 N ATOM 472 CA ARG A 34 -4.713 1.455 4.914 1.00 0.00 C ATOM 473 C ARG A 34 -3.306 1.607 5.478 1.00 0.00 C ATOM 474 O ARG A 34 -3.103 1.358 6.664 1.00 0.00 O ATOM 475 CB ARG A 34 -5.508 2.763 4.991 1.00 0.00 C ATOM 476 CG ARG A 34 -5.686 3.228 6.438 1.00 0.00 C ATOM 477 CD ARG A 34 -6.515 4.511 6.471 1.00 0.00 C ATOM 478 NE ARG A 34 -6.779 4.936 7.850 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.491 6.020 8.176 1.00 0.00 C ATOM 480 NH1 ARG A 34 -8.002 6.804 7.229 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.692 6.323 9.454 1.00 0.00 N ATOM 0 H ARG A 34 -5.225 0.465 6.670 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.642 1.189 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.994 3.536 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.486 2.623 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.179 2.450 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.712 3.401 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.987 5.302 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.459 4.351 5.950 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.396 4.370 8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.852 6.580 6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.544 7.629 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.303 5.729 10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.235 7.150 9.703 1.00 0.00 H new ATOM 495 N CYS A 35 -2.336 2.002 4.652 1.00 0.00 N ATOM 496 CA CYS A 35 -0.935 2.043 5.046 1.00 0.00 C ATOM 497 C CYS A 35 -0.301 3.400 4.725 1.00 0.00 C ATOM 498 O CYS A 35 -0.992 4.337 4.331 1.00 0.00 O ATOM 499 CB CYS A 35 -0.186 0.921 4.328 1.00 0.00 C ATOM 500 SG CYS A 35 -0.822 -0.763 4.561 1.00 0.00 S ATOM 0 H CYS A 35 -2.504 2.302 3.692 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.869 1.903 6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.187 1.140 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.853 0.941 4.657 1.00 0.00 H new ATOM 505 N SER A 36 1.023 3.501 4.897 1.00 0.00 N ATOM 506 CA SER A 36 1.748 4.760 4.740 1.00 0.00 C ATOM 507 C SER A 36 2.519 4.856 3.422 1.00 0.00 C ATOM 508 O SER A 36 2.579 5.931 2.823 1.00 0.00 O ATOM 509 CB SER A 36 2.721 4.894 5.909 1.00 0.00 C ATOM 510 OG SER A 36 3.308 6.177 5.911 1.00 0.00 O ATOM 0 H SER A 36 1.618 2.711 5.148 1.00 0.00 H new ATOM 0 HA SER A 36 1.016 5.567 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.196 4.725 6.849 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.496 4.132 5.835 1.00 0.00 H new ATOM 0 HG SER A 36 3.929 6.252 6.666 1.00 0.00 H new ATOM 516 N ASN A 37 3.108 3.752 2.959 1.00 0.00 N ATOM 517 CA ASN A 37 3.937 3.748 1.757 1.00 0.00 C ATOM 518 C ASN A 37 3.872 2.371 1.089 1.00 0.00 C ATOM 519 O ASN A 37 3.128 1.505 1.550 1.00 0.00 O ATOM 520 CB ASN A 37 5.367 4.127 2.162 1.00 0.00 C ATOM 521 CG ASN A 37 6.240 4.538 0.983 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.756 4.736 -0.127 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.541 4.668 1.217 1.00 0.00 N ATOM 0 H ASN A 37 3.023 2.839 3.407 1.00 0.00 H new ATOM 0 HA ASN A 37 3.577 4.474 1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.329 4.947 2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.830 3.281 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.170 4.940 0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.911 4.496 2.152 1.00 0.00 H new ATOM 530 N ALA A 38 4.635 2.153 0.011 1.00 0.00 N ATOM 531 CA ALA A 38 4.597 0.901 -0.722 1.00 0.00 C ATOM 532 C ALA A 38 5.911 0.607 -1.441 1.00 0.00 C ATOM 533 O ALA A 38 6.780 1.471 -1.553 1.00 0.00 O ATOM 534 CB ALA A 38 3.477 0.982 -1.752 1.00 0.00 C ATOM 0 H ALA A 38 5.288 2.839 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 38 4.428 0.096 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.432 0.049 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.527 1.146 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.670 1.809 -2.436 1.00 0.00 H new ATOM 540 N GLN A 39 6.032 -0.629 -1.929 1.00 0.00 N ATOM 541 CA GLN A 39 7.129 -1.090 -2.768 1.00 0.00 C ATOM 542 C GLN A 39 6.633 -2.251 -3.626 1.00 0.00 C ATOM 543 O GLN A 39 5.547 -2.778 -3.382 1.00 0.00 O ATOM 544 CB GLN A 39 8.312 -1.533 -1.900 1.00 0.00 C ATOM 545 CG GLN A 39 7.938 -2.691 -0.970 1.00 0.00 C ATOM 546 CD GLN A 39 9.171 -3.253 -0.273 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.572 -4.383 -0.526 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.785 -2.468 0.608 1.00 0.00 N ATOM 0 H GLN A 39 5.343 -1.358 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 39 7.469 -0.278 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.139 -1.836 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.662 -0.689 -1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.220 -2.347 -0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.449 -3.479 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.425 -1.532 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.616 -2.802 1.096 1.00 0.00 H new ATOM 557 N CYS A 40 7.413 -2.662 -4.625 1.00 0.00 N ATOM 558 CA CYS A 40 7.051 -3.807 -5.446 1.00 0.00 C ATOM 559 C CYS A 40 7.867 -5.033 -5.048 1.00 0.00 C ATOM 560 O CYS A 40 9.015 -4.909 -4.618 1.00 0.00 O ATOM 561 CB CYS A 40 7.172 -3.475 -6.933 1.00 0.00 C ATOM 562 SG CYS A 40 6.246 -1.999 -7.420 1.00 0.00 S ATOM 0 H CYS A 40 8.295 -2.219 -4.881 1.00 0.00 H new ATOM 0 HA CYS A 40 6.004 -4.051 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.224 -3.333 -7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.819 -4.325 -7.517 1.00 0.00 H new ATOM 567 N THR A 41 7.268 -6.214 -5.196 1.00 0.00 N ATOM 568 CA THR A 41 7.865 -7.478 -4.781 1.00 0.00 C ATOM 569 C THR A 41 7.688 -8.542 -5.862 1.00 0.00 C ATOM 570 O THR A 41 7.103 -8.280 -6.914 1.00 0.00 O ATOM 571 CB THR A 41 7.228 -7.935 -3.468 1.00 0.00 C ATOM 572 OG1 THR A 41 5.832 -8.071 -3.630 1.00 0.00 O ATOM 573 CG2 THR A 41 7.516 -6.935 -2.350 1.00 0.00 C ATOM 0 H THR A 41 6.343 -6.319 -5.613 1.00 0.00 H new ATOM 0 HA THR A 41 8.934 -7.332 -4.629 1.00 0.00 H new ATOM 0 HB THR A 41 7.659 -8.899 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.372 -7.636 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.054 -7.280 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.593 -6.849 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.107 -5.961 -2.619 1.00 0.00 H new ATOM 581 N GLY A 42 8.195 -9.747 -5.599 1.00 0.00 N ATOM 582 CA GLY A 42 8.152 -10.857 -6.537 1.00 0.00 C ATOM 583 C GLY A 42 9.492 -11.024 -7.249 1.00 0.00 C ATOM 584 O GLY A 42 10.420 -10.242 -7.039 1.00 0.00 O ATOM 0 H GLY A 42 8.652 -9.977 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.901 -11.776 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.365 -10.687 -7.271 1.00 0.00 H new ATOM 588 N PHE A 43 9.590 -12.051 -8.095 1.00 0.00 N ATOM 589 CA PHE A 43 10.822 -12.380 -8.793 1.00 0.00 C ATOM 590 C PHE A 43 11.170 -11.340 -9.860 1.00 0.00 C ATOM 591 O PHE A 43 12.322 -11.261 -10.285 1.00 0.00 O ATOM 592 CB PHE A 43 10.662 -13.772 -9.411 1.00 0.00 C ATOM 593 CG PHE A 43 11.854 -14.236 -10.220 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.111 -14.373 -9.614 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.705 -14.526 -11.586 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.214 -14.795 -10.374 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.806 -14.943 -12.343 1.00 0.00 C ATOM 598 CZ PHE A 43 14.059 -15.077 -11.737 1.00 0.00 C ATOM 0 H PHE A 43 8.813 -12.675 -8.312 1.00 0.00 H new ATOM 0 HA PHE A 43 11.650 -12.377 -8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.477 -14.492 -8.613 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.780 -13.773 -10.052 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.231 -14.154 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.737 -14.427 -12.054 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.182 -14.902 -9.907 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.688 -15.161 -13.394 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.909 -15.399 -12.321 1.00 0.00 H new ATOM 608 N LEU A 44 10.183 -10.549 -10.297 1.00 0.00 N ATOM 609 CA LEU A 44 10.370 -9.545 -11.335 1.00 0.00 C ATOM 610 C LEU A 44 9.721 -8.212 -10.955 1.00 0.00 C ATOM 611 O LEU A 44 9.558 -7.341 -11.807 1.00 0.00 O ATOM 612 CB LEU A 44 9.807 -10.077 -12.660 1.00 0.00 C ATOM 613 CG LEU A 44 10.589 -11.287 -13.187 1.00 0.00 C ATOM 614 CD1 LEU A 44 9.881 -11.855 -14.414 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.012 -10.898 -13.592 1.00 0.00 C ATOM 0 H LEU A 44 9.230 -10.593 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 44 11.437 -9.353 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.762 -10.356 -12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.828 -9.282 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 44 10.637 -12.027 -12.388 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.436 -12.715 -14.789 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.872 -12.165 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.828 -11.091 -15.190 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.539 -11.778 -13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.973 -10.143 -14.377 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.539 -10.496 -12.727 1.00 0.00 H new ATOM 627 N GLY A 45 9.349 -8.045 -9.682 1.00 0.00 N ATOM 628 CA GLY A 45 8.723 -6.817 -9.208 1.00 0.00 C ATOM 629 C GLY A 45 7.280 -6.680 -9.688 1.00 0.00 C ATOM 630 O GLY A 45 6.710 -5.593 -9.636 1.00 0.00 O ATOM 0 H GLY A 45 9.474 -8.754 -8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.745 -6.798 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.301 -5.960 -9.553 1.00 0.00 H new ATOM 634 N THR A 46 6.685 -7.781 -10.156 1.00 0.00 N ATOM 635 CA THR A 46 5.350 -7.792 -10.740 1.00 0.00 C ATOM 636 C THR A 46 4.238 -7.805 -9.692 1.00 0.00 C ATOM 637 O THR A 46 3.067 -7.931 -10.049 1.00 0.00 O ATOM 638 CB THR A 46 5.219 -8.992 -11.679 1.00 0.00 C ATOM 639 OG1 THR A 46 5.582 -10.173 -10.999 1.00 0.00 O ATOM 640 CG2 THR A 46 6.131 -8.822 -12.891 1.00 0.00 C ATOM 0 H THR A 46 7.127 -8.700 -10.137 1.00 0.00 H new ATOM 0 HA THR A 46 5.229 -6.864 -11.298 1.00 0.00 H new ATOM 0 HB THR A 46 4.183 -9.057 -12.012 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.495 -10.939 -11.604 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.026 -9.684 -13.549 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.853 -7.917 -13.431 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.166 -8.743 -12.559 1.00 0.00 H new ATOM 648 N THR A 47 4.583 -7.679 -8.407 1.00 0.00 N ATOM 649 CA THR A 47 3.611 -7.696 -7.319 1.00 0.00 C ATOM 650 C THR A 47 3.718 -6.414 -6.499 1.00 0.00 C ATOM 651 O THR A 47 4.774 -5.786 -6.456 1.00 0.00 O ATOM 652 CB THR A 47 3.841 -8.941 -6.459 1.00 0.00 C ATOM 653 OG1 THR A 47 3.779 -10.098 -7.268 1.00 0.00 O ATOM 654 CG2 THR A 47 2.780 -9.078 -5.375 1.00 0.00 C ATOM 0 H THR A 47 5.547 -7.562 -8.095 1.00 0.00 H new ATOM 0 HA THR A 47 2.599 -7.740 -7.723 1.00 0.00 H new ATOM 0 HB THR A 47 4.821 -8.836 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.928 -10.893 -6.714 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.976 -9.973 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.807 -8.202 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.796 -9.157 -5.837 1.00 0.00 H new ATOM 662 N CYS A 48 2.627 -6.023 -5.839 1.00 0.00 N ATOM 663 CA CYS A 48 2.573 -4.829 -5.009 1.00 0.00 C ATOM 664 C CYS A 48 2.536 -5.206 -3.527 1.00 0.00 C ATOM 665 O CYS A 48 1.878 -6.175 -3.147 1.00 0.00 O ATOM 666 CB CYS A 48 1.342 -4.012 -5.409 1.00 0.00 C ATOM 667 SG CYS A 48 1.004 -2.575 -4.358 1.00 0.00 S ATOM 0 H CYS A 48 1.746 -6.537 -5.869 1.00 0.00 H new ATOM 0 HA CYS A 48 3.468 -4.226 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.469 -3.670 -6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.470 -4.666 -5.396 1.00 0.00 H new ATOM 672 N THR A 49 3.233 -4.440 -2.686 1.00 0.00 N ATOM 673 CA THR A 49 3.246 -4.640 -1.240 1.00 0.00 C ATOM 674 C THR A 49 3.267 -3.290 -0.527 1.00 0.00 C ATOM 675 O THR A 49 3.846 -2.329 -1.029 1.00 0.00 O ATOM 676 CB THR A 49 4.462 -5.487 -0.844 1.00 0.00 C ATOM 677 OG1 THR A 49 4.372 -6.753 -1.460 1.00 0.00 O ATOM 678 CG2 THR A 49 4.541 -5.701 0.664 1.00 0.00 C ATOM 0 H THR A 49 3.809 -3.657 -2.995 1.00 0.00 H new ATOM 0 HA THR A 49 2.343 -5.171 -0.939 1.00 0.00 H new ATOM 0 HB THR A 49 5.353 -4.950 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.811 -7.423 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.417 -6.306 0.900 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.620 -4.736 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.642 -6.214 1.006 1.00 0.00 H new ATOM 686 N CYS A 50 2.634 -3.210 0.650 1.00 0.00 N ATOM 687 CA CYS A 50 2.535 -1.967 1.400 1.00 0.00 C ATOM 688 C CYS A 50 3.538 -1.926 2.551 1.00 0.00 C ATOM 689 O CYS A 50 4.102 -2.952 2.935 1.00 0.00 O ATOM 690 CB CYS A 50 1.100 -1.780 1.896 1.00 0.00 C ATOM 691 SG CYS A 50 -0.167 -1.817 0.602 1.00 0.00 S ATOM 0 H CYS A 50 2.181 -4.005 1.101 1.00 0.00 H new ATOM 0 HA CYS A 50 2.786 -1.138 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.878 -2.561 2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.034 -0.827 2.421 1.00 0.00 H new ATOM 696 N ILE A 51 3.758 -0.728 3.099 1.00 0.00 N ATOM 697 CA ILE A 51 4.711 -0.479 4.171 1.00 0.00 C ATOM 698 C ILE A 51 3.979 -0.082 5.449 1.00 0.00 C ATOM 699 O ILE A 51 2.970 0.620 5.396 1.00 0.00 O ATOM 700 CB ILE A 51 5.677 0.629 3.734 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.429 0.254 2.447 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.682 0.966 4.836 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.315 -0.978 2.602 1.00 0.00 C ATOM 0 H ILE A 51 3.264 0.112 2.799 1.00 0.00 H new ATOM 0 HA ILE A 51 5.276 -1.388 4.376 1.00 0.00 H new ATOM 0 HB ILE A 51 5.067 1.510 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.706 0.075 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.044 1.098 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.350 1.755 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.148 1.305 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.265 0.078 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.816 -1.187 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.061 -0.795 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.702 -1.834 2.884 1.00 0.00 H new ATOM 715 N ASN A 52 4.492 -0.529 6.599 1.00 0.00 N ATOM 716 CA ASN A 52 3.892 -0.248 7.895 1.00 0.00 C ATOM 717 C ASN A 52 4.061 1.229 8.266 1.00 0.00 C ATOM 718 O ASN A 52 4.976 1.887 7.772 1.00 0.00 O ATOM 719 CB ASN A 52 4.529 -1.159 8.950 1.00 0.00 C ATOM 720 CG ASN A 52 4.227 -2.632 8.710 1.00 0.00 C ATOM 721 OD1 ASN A 52 3.439 -2.991 7.840 1.00 0.00 O ATOM 722 ND2 ASN A 52 4.865 -3.502 9.484 1.00 0.00 N ATOM 0 H ASN A 52 5.338 -1.097 6.651 1.00 0.00 H new ATOM 0 HA ASN A 52 2.822 -0.449 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.609 -1.009 8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.167 -0.874 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.707 -4.503 9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.514 -3.170 10.198 1.00 0.00 H new ATOM 729 N PRO A 53 3.193 1.763 9.138 1.00 0.00 N ATOM 730 CA PRO A 53 2.071 1.080 9.754 1.00 0.00 C ATOM 731 C PRO A 53 0.929 0.872 8.757 1.00 0.00 C ATOM 732 O PRO A 53 0.881 1.519 7.712 1.00 0.00 O ATOM 733 CB PRO A 53 1.633 1.998 10.897 1.00 0.00 C ATOM 734 CG PRO A 53 1.971 3.385 10.362 1.00 0.00 C ATOM 735 CD PRO A 53 3.268 3.139 9.595 1.00 0.00 C ATOM 0 HA PRO A 53 2.347 0.085 10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.570 1.896 11.114 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.169 1.779 11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.184 3.773 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.107 4.108 11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.364 3.827 8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.137 3.293 10.234 1.00 0.00 H new ATOM 743 N CYS A 54 0.013 -0.037 9.096 1.00 0.00 N ATOM 744 CA CYS A 54 -1.152 -0.346 8.283 1.00 0.00 C ATOM 745 C CYS A 54 -2.398 -0.478 9.165 1.00 0.00 C ATOM 746 O CYS A 54 -2.920 -1.580 9.323 1.00 0.00 O ATOM 747 CB CYS A 54 -0.909 -1.636 7.499 1.00 0.00 C ATOM 748 SG CYS A 54 0.259 -1.536 6.117 1.00 0.00 S ATOM 0 H CYS A 54 0.065 -0.584 9.956 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.319 0.468 7.577 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.550 -2.395 8.194 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.866 -1.985 7.112 1.00 0.00 H new ATOM 753 N PRO A 55 -2.882 0.628 9.746 1.00 0.00 N ATOM 754 CA PRO A 55 -4.077 0.644 10.577 1.00 0.00 C ATOM 755 C PRO A 55 -5.322 0.245 9.782 1.00 0.00 C ATOM 756 O PRO A 55 -5.322 0.261 8.550 1.00 0.00 O ATOM 757 CB PRO A 55 -4.182 2.077 11.105 1.00 0.00 C ATOM 758 CG PRO A 55 -3.453 2.895 10.039 1.00 0.00 C ATOM 759 CD PRO A 55 -2.320 1.960 9.632 1.00 0.00 C ATOM 0 HA PRO A 55 -4.010 -0.080 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.220 2.391 11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.713 2.181 12.083 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.102 3.138 9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.079 3.839 10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.986 2.163 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.454 2.081 10.282 1.00 0.00 H new ATOM 767 N ARG A 56 -6.392 -0.114 10.496 1.00 0.00 N ATOM 768 CA ARG A 56 -7.627 -0.586 9.886 1.00 0.00 C ATOM 769 C ARG A 56 -8.439 0.564 9.301 1.00 0.00 C ATOM 770 O ARG A 56 -8.248 1.724 9.669 1.00 0.00 O ATOM 771 CB ARG A 56 -8.450 -1.357 10.921 1.00 0.00 C ATOM 772 CG ARG A 56 -7.688 -2.597 11.392 1.00 0.00 C ATOM 773 CD ARG A 56 -8.540 -3.421 12.359 1.00 0.00 C ATOM 774 NE ARG A 56 -8.843 -2.674 13.584 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.702 -3.091 14.517 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.352 -4.244 14.385 1.00 0.00 N ATOM 777 NH2 ARG A 56 -9.916 -2.346 15.599 1.00 0.00 N ATOM 0 H ARG A 56 -6.421 -0.084 11.515 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.370 -1.252 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.671 -0.713 11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.406 -1.652 10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.411 -3.208 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.762 -2.296 11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.470 -3.710 11.869 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.014 -4.341 12.614 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.369 -1.783 13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.198 -4.825 13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.005 -4.547 15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.424 -1.460 15.713 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.572 -2.661 16.314 1.00 0.00 H new ATOM 791 N CYS A 57 -9.346 0.227 8.381 1.00 0.00 N ATOM 792 CA CYS A 57 -10.227 1.184 7.731 1.00 0.00 C ATOM 793 C CYS A 57 -11.583 0.538 7.449 1.00 0.00 C ATOM 794 O CYS A 57 -11.612 -0.435 6.661 1.00 0.00 O ATOM 795 CB CYS A 57 -9.568 1.677 6.442 1.00 0.00 C ATOM 796 SG CYS A 57 -10.565 2.839 5.479 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.579 1.022 8.028 1.00 0.00 O ATOM 0 H CYS A 57 -9.486 -0.733 8.066 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.396 2.039 8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.621 2.154 6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.334 0.815 5.817 1.00 0.00 H new