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 -136:sc= 0.472 USER MOD Set 1.2: A 49 THR OG1 : rot -168:sc= 0.441 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0926 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= -0.183 K(o=-0.18,f=-1.1) USER MOD Single : A 21 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.12) USER MOD Single : A 24 SER OG : rot -104:sc= 0.142 USER MOD Single : A 26 HIS : no HE2:sc= 0.13 K(o=0.13,f=-2.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.25 K(o=0.25,f=-6.7!) USER MOD Single : A 39 GLN : amide:sc= -0.792 K(o=-0.79,f=-0.17) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -13.117 -0.070 0.361 1.00 0.00 N ATOM 29 CA CYS A 3 -11.846 -0.777 0.383 1.00 0.00 C ATOM 30 C CYS A 3 -11.872 -1.959 -0.590 1.00 0.00 C ATOM 31 O CYS A 3 -12.135 -3.094 -0.194 1.00 0.00 O ATOM 32 CB CYS A 3 -11.548 -1.244 1.805 1.00 0.00 C ATOM 33 SG CYS A 3 -12.917 -2.047 2.682 1.00 0.00 S ATOM 0 HA CYS A 3 -11.053 -0.102 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.709 -1.938 1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.225 -0.382 2.389 1.00 0.00 H new ATOM 38 N PRO A 4 -11.598 -1.697 -1.876 1.00 0.00 N ATOM 39 CA PRO A 4 -11.543 -2.712 -2.915 1.00 0.00 C ATOM 40 C PRO A 4 -10.262 -3.539 -2.809 1.00 0.00 C ATOM 41 O PRO A 4 -9.396 -3.260 -1.979 1.00 0.00 O ATOM 42 CB PRO A 4 -11.586 -1.921 -4.225 1.00 0.00 C ATOM 43 CG PRO A 4 -10.863 -0.629 -3.861 1.00 0.00 C ATOM 44 CD PRO A 4 -11.318 -0.381 -2.421 1.00 0.00 C ATOM 0 HA PRO A 4 -12.362 -3.427 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.085 -2.451 -5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.609 -1.734 -4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.781 -0.738 -3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.144 0.192 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.544 0.126 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.204 0.253 -2.392 1.00 0.00 H new ATOM 52 N THR A 5 -10.149 -4.564 -3.658 1.00 0.00 N ATOM 53 CA THR A 5 -8.979 -5.432 -3.706 1.00 0.00 C ATOM 54 C THR A 5 -8.310 -5.307 -5.072 1.00 0.00 C ATOM 55 O THR A 5 -8.978 -5.454 -6.095 1.00 0.00 O ATOM 56 CB THR A 5 -9.398 -6.882 -3.454 1.00 0.00 C ATOM 57 OG1 THR A 5 -10.178 -6.964 -2.284 1.00 0.00 O ATOM 58 CG2 THR A 5 -8.165 -7.773 -3.280 1.00 0.00 C ATOM 0 H THR A 5 -10.872 -4.813 -4.333 1.00 0.00 H new ATOM 0 HA THR A 5 -8.272 -5.132 -2.933 1.00 0.00 H new ATOM 0 HB THR A 5 -9.977 -7.221 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.443 -7.895 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.481 -8.801 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.556 -7.732 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.579 -7.421 -2.431 1.00 0.00 H new ATOM 66 N ARG A 6 -7.002 -5.037 -5.093 1.00 0.00 N ATOM 67 CA ARG A 6 -6.230 -4.913 -6.325 1.00 0.00 C ATOM 68 C ARG A 6 -4.850 -5.531 -6.144 1.00 0.00 C ATOM 69 O ARG A 6 -4.285 -5.466 -5.055 1.00 0.00 O ATOM 70 CB ARG A 6 -6.077 -3.435 -6.706 1.00 0.00 C ATOM 71 CG ARG A 6 -7.409 -2.743 -7.015 1.00 0.00 C ATOM 72 CD ARG A 6 -8.064 -3.303 -8.281 1.00 0.00 C ATOM 73 NE ARG A 6 -7.235 -3.065 -9.468 1.00 0.00 N ATOM 74 CZ ARG A 6 -7.386 -3.714 -10.624 1.00 0.00 C ATOM 75 NH1 ARG A 6 -8.328 -4.647 -10.764 1.00 0.00 N ATOM 76 NH2 ARG A 6 -6.592 -3.432 -11.652 1.00 0.00 N ATOM 0 H ARG A 6 -6.448 -4.898 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.760 -5.438 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.583 -2.907 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.426 -3.358 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.087 -2.867 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.242 -1.673 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.231 -4.373 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.041 -2.841 -8.420 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.499 -2.361 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.943 -4.872 -9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.433 -5.136 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.868 -2.720 -11.557 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.707 -3.928 -12.536 1.00 0.00 H new ATOM 90 N ARG A 7 -4.316 -6.126 -7.216 1.00 0.00 N ATOM 91 CA ARG A 7 -2.994 -6.754 -7.233 1.00 0.00 C ATOM 92 C ARG A 7 -2.331 -6.504 -8.590 1.00 0.00 C ATOM 93 O ARG A 7 -3.001 -6.106 -9.542 1.00 0.00 O ATOM 94 CB ARG A 7 -3.137 -8.264 -6.997 1.00 0.00 C ATOM 95 CG ARG A 7 -3.777 -8.614 -5.648 1.00 0.00 C ATOM 96 CD ARG A 7 -2.932 -8.163 -4.455 1.00 0.00 C ATOM 97 NE ARG A 7 -1.634 -8.850 -4.410 1.00 0.00 N ATOM 98 CZ ARG A 7 -0.528 -8.305 -3.900 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.535 -7.071 -3.408 1.00 0.00 N ATOM 100 NH2 ARG A 7 0.605 -8.998 -3.878 1.00 0.00 N ATOM 0 H ARG A 7 -4.801 -6.185 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.377 -6.325 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.739 -8.694 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.152 -8.728 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.761 -8.149 -5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.930 -9.692 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.771 -7.086 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.477 -8.356 -3.531 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.575 -9.795 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.396 -6.524 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.320 -6.671 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.630 -9.947 -4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.450 -8.581 -3.488 1.00 0.00 H new ATOM 114 N GLY A 8 -1.021 -6.743 -8.681 1.00 0.00 N ATOM 115 CA GLY A 8 -0.282 -6.592 -9.931 1.00 0.00 C ATOM 116 C GLY A 8 -0.124 -5.132 -10.346 1.00 0.00 C ATOM 117 O GLY A 8 0.179 -4.851 -11.504 1.00 0.00 O ATOM 0 H GLY A 8 -0.447 -7.045 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.704 -7.044 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.797 -7.137 -10.722 1.00 0.00 H new ATOM 121 N LEU A 9 -0.329 -4.198 -9.412 1.00 0.00 N ATOM 122 CA LEU A 9 -0.277 -2.770 -9.703 1.00 0.00 C ATOM 123 C LEU A 9 1.099 -2.338 -10.213 1.00 0.00 C ATOM 124 O LEU A 9 1.208 -1.322 -10.895 1.00 0.00 O ATOM 125 CB LEU A 9 -0.636 -2.003 -8.430 1.00 0.00 C ATOM 126 CG LEU A 9 -2.078 -2.274 -7.991 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.315 -1.640 -6.623 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.068 -1.679 -8.988 1.00 0.00 C ATOM 0 H LEU A 9 -0.535 -4.414 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.991 -2.548 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.047 -2.287 -7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.502 -0.935 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.229 -3.352 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.340 -1.830 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.625 -2.071 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.149 -0.565 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.086 -1.884 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.917 -0.601 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.910 -2.126 -9.969 1.00 0.00 H new ATOM 140 N CYS A 10 2.148 -3.103 -9.895 1.00 0.00 N ATOM 141 CA CYS A 10 3.499 -2.813 -10.349 1.00 0.00 C ATOM 142 C CYS A 10 3.711 -3.248 -11.805 1.00 0.00 C ATOM 143 O CYS A 10 4.819 -3.132 -12.321 1.00 0.00 O ATOM 144 CB CYS A 10 4.508 -3.482 -9.409 1.00 0.00 C ATOM 145 SG CYS A 10 4.556 -2.758 -7.750 1.00 0.00 S ATOM 0 H CYS A 10 2.078 -3.939 -9.315 1.00 0.00 H new ATOM 0 HA CYS A 10 3.654 -1.734 -10.321 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.265 -4.541 -9.326 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.502 -3.417 -9.852 1.00 0.00 H new ATOM 150 N VAL A 11 2.658 -3.742 -12.466 1.00 0.00 N ATOM 151 CA VAL A 11 2.727 -4.170 -13.859 1.00 0.00 C ATOM 152 C VAL A 11 1.663 -3.469 -14.703 1.00 0.00 C ATOM 153 O VAL A 11 1.849 -3.289 -15.905 1.00 0.00 O ATOM 154 CB VAL A 11 2.560 -5.693 -13.934 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.711 -6.196 -15.372 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.621 -6.386 -13.076 1.00 0.00 C ATOM 0 H VAL A 11 1.735 -3.854 -12.046 1.00 0.00 H new ATOM 0 HA VAL A 11 3.701 -3.895 -14.263 1.00 0.00 H new ATOM 0 HB VAL A 11 1.560 -5.928 -13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.588 -7.279 -15.394 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.952 -5.732 -16.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.701 -5.936 -15.746 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.491 -7.466 -13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.614 -6.119 -13.439 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.515 -6.067 -12.039 1.00 0.00 H new ATOM 166 N THR A 12 0.543 -3.064 -14.087 1.00 0.00 N ATOM 167 CA THR A 12 -0.535 -2.389 -14.803 1.00 0.00 C ATOM 168 C THR A 12 -0.320 -0.879 -14.858 1.00 0.00 C ATOM 169 O THR A 12 -0.971 -0.200 -15.651 1.00 0.00 O ATOM 170 CB THR A 12 -1.880 -2.703 -14.147 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.859 -2.307 -12.795 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.179 -4.198 -14.234 1.00 0.00 C ATOM 0 H THR A 12 0.365 -3.195 -13.091 1.00 0.00 H new ATOM 0 HA THR A 12 -0.535 -2.762 -15.827 1.00 0.00 H new ATOM 0 HB THR A 12 -2.659 -2.154 -14.675 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.724 -2.509 -12.381 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.140 -4.405 -13.763 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.215 -4.501 -15.280 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.396 -4.756 -13.721 1.00 0.00 H new ATOM 180 N SER A 13 0.584 -0.348 -14.028 1.00 0.00 N ATOM 181 CA SER A 13 0.916 1.071 -14.041 1.00 0.00 C ATOM 182 C SER A 13 2.324 1.314 -13.515 1.00 0.00 C ATOM 183 O SER A 13 3.056 2.145 -14.053 1.00 0.00 O ATOM 184 CB SER A 13 -0.073 1.811 -13.145 1.00 0.00 C ATOM 185 OG SER A 13 0.114 3.205 -13.275 1.00 0.00 O ATOM 0 H SER A 13 1.100 -0.890 -13.335 1.00 0.00 H new ATOM 0 HA SER A 13 0.863 1.430 -15.069 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.094 1.545 -13.418 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.068 1.511 -12.107 1.00 0.00 H new ATOM 0 HG SER A 13 -0.524 3.676 -12.699 1.00 0.00 H new ATOM 191 N GLY A 14 2.700 0.584 -12.461 1.00 0.00 N ATOM 192 CA GLY A 14 4.007 0.705 -11.836 1.00 0.00 C ATOM 193 C GLY A 14 3.870 1.013 -10.350 1.00 0.00 C ATOM 194 O GLY A 14 2.784 0.910 -9.780 1.00 0.00 O ATOM 0 H GLY A 14 2.097 -0.110 -12.019 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.566 -0.221 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.577 1.495 -12.325 1.00 0.00 H new ATOM 198 N LEU A 15 4.978 1.396 -9.715 1.00 0.00 N ATOM 199 CA LEU A 15 5.014 1.674 -8.287 1.00 0.00 C ATOM 200 C LEU A 15 4.037 2.788 -7.902 1.00 0.00 C ATOM 201 O LEU A 15 3.550 2.814 -6.776 1.00 0.00 O ATOM 202 CB LEU A 15 6.452 2.065 -7.927 1.00 0.00 C ATOM 203 CG LEU A 15 6.601 2.505 -6.467 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.189 1.399 -5.498 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.059 2.865 -6.200 1.00 0.00 C ATOM 0 H LEU A 15 5.876 1.521 -10.182 1.00 0.00 H new ATOM 0 HA LEU A 15 4.706 0.787 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.112 1.218 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.778 2.874 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 15 5.949 3.364 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.309 1.750 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.146 1.134 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.818 0.523 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.172 3.179 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.689 1.995 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.360 3.679 -6.860 1.00 0.00 H new ATOM 217 N THR A 16 3.744 3.702 -8.825 1.00 0.00 N ATOM 218 CA THR A 16 2.857 4.822 -8.543 1.00 0.00 C ATOM 219 C THR A 16 1.456 4.340 -8.171 1.00 0.00 C ATOM 220 O THR A 16 0.842 4.892 -7.262 1.00 0.00 O ATOM 221 CB THR A 16 2.798 5.746 -9.759 1.00 0.00 C ATOM 222 OG1 THR A 16 4.106 6.074 -10.168 1.00 0.00 O ATOM 223 CG2 THR A 16 2.049 7.034 -9.427 1.00 0.00 C ATOM 0 H THR A 16 4.111 3.686 -9.777 1.00 0.00 H new ATOM 0 HA THR A 16 3.254 5.372 -7.689 1.00 0.00 H new ATOM 0 HB THR A 16 2.272 5.224 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.066 6.665 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.020 7.675 -10.308 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.031 6.794 -9.119 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.560 7.554 -8.616 1.00 0.00 H new ATOM 231 N ALA A 17 0.936 3.313 -8.854 1.00 0.00 N ATOM 232 CA ALA A 17 -0.391 2.805 -8.549 1.00 0.00 C ATOM 233 C ALA A 17 -0.350 1.900 -7.322 1.00 0.00 C ATOM 234 O ALA A 17 -1.341 1.791 -6.603 1.00 0.00 O ATOM 235 CB ALA A 17 -0.935 2.048 -9.762 1.00 0.00 C ATOM 0 H ALA A 17 1.414 2.827 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.053 3.641 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.930 1.666 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.991 2.722 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.272 1.216 -9.999 1.00 0.00 H new ATOM 241 N CYS A 18 0.793 1.251 -7.074 1.00 0.00 N ATOM 242 CA CYS A 18 0.959 0.408 -5.906 1.00 0.00 C ATOM 243 C CYS A 18 1.001 1.275 -4.648 1.00 0.00 C ATOM 244 O CYS A 18 0.546 0.852 -3.587 1.00 0.00 O ATOM 245 CB CYS A 18 2.248 -0.399 -6.073 1.00 0.00 C ATOM 246 SG CYS A 18 2.699 -1.445 -4.666 1.00 0.00 S ATOM 0 H CYS A 18 1.615 1.300 -7.676 1.00 0.00 H new ATOM 0 HA CYS A 18 0.121 -0.281 -5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.149 -1.030 -6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.067 0.293 -6.266 1.00 0.00 H new ATOM 251 N ARG A 19 1.541 2.497 -4.756 1.00 0.00 N ATOM 252 CA ARG A 19 1.626 3.410 -3.629 1.00 0.00 C ATOM 253 C ARG A 19 0.296 4.109 -3.394 1.00 0.00 C ATOM 254 O ARG A 19 -0.081 4.353 -2.253 1.00 0.00 O ATOM 255 CB ARG A 19 2.742 4.414 -3.910 1.00 0.00 C ATOM 256 CG ARG A 19 3.083 5.202 -2.646 1.00 0.00 C ATOM 257 CD ARG A 19 4.242 6.158 -2.923 1.00 0.00 C ATOM 258 NE ARG A 19 4.624 6.871 -1.699 1.00 0.00 N ATOM 259 CZ ARG A 19 4.262 8.121 -1.396 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.486 8.829 -2.212 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.682 8.671 -0.261 1.00 0.00 N ATOM 0 H ARG A 19 1.926 2.870 -5.624 1.00 0.00 H new ATOM 0 HA ARG A 19 1.855 2.857 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.628 3.891 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.433 5.098 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.211 5.763 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.350 4.517 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.096 5.601 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.955 6.874 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 19 5.211 6.375 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.157 8.419 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.220 9.782 -1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.278 8.139 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.409 9.625 -0.025 1.00 0.00 H new ATOM 275 N ASN A 20 -0.420 4.427 -4.477 1.00 0.00 N ATOM 276 CA ASN A 20 -1.715 5.084 -4.368 1.00 0.00 C ATOM 277 C ASN A 20 -2.778 4.124 -3.830 1.00 0.00 C ATOM 278 O ASN A 20 -3.789 4.574 -3.299 1.00 0.00 O ATOM 279 CB ASN A 20 -2.126 5.631 -5.738 1.00 0.00 C ATOM 280 CG ASN A 20 -1.222 6.760 -6.220 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.403 7.286 -5.471 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.364 7.135 -7.486 1.00 0.00 N ATOM 0 H ASN A 20 -0.121 4.239 -5.434 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.631 5.909 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.108 4.821 -6.467 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.153 5.991 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.782 7.882 -7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.055 6.676 -8.080 1.00 0.00 H new ATOM 289 N HIS A 21 -2.559 2.812 -3.958 1.00 0.00 N ATOM 290 CA HIS A 21 -3.476 1.809 -3.438 1.00 0.00 C ATOM 291 C HIS A 21 -3.160 1.469 -1.987 1.00 0.00 C ATOM 292 O HIS A 21 -4.064 1.148 -1.217 1.00 0.00 O ATOM 293 CB HIS A 21 -3.373 0.558 -4.304 1.00 0.00 C ATOM 294 CG HIS A 21 -4.286 -0.553 -3.857 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.654 -0.593 -3.994 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.902 -1.708 -3.232 1.00 0.00 C ATOM 297 CE1 HIS A 21 -6.081 -1.754 -3.465 1.00 0.00 C ATOM 298 NE2 HIS A 21 -5.049 -2.471 -2.984 1.00 0.00 N ATOM 0 H HIS A 21 -1.741 2.422 -4.425 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.491 2.206 -3.469 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.608 0.819 -5.336 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.344 0.200 -4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.890 -1.983 -2.975 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.114 -2.068 -3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.093 -3.384 -2.531 1.00 0.00 H new ATOM 306 N CYS A 22 -1.884 1.535 -1.602 1.00 0.00 N ATOM 307 CA CYS A 22 -1.482 1.300 -0.223 1.00 0.00 C ATOM 308 C CYS A 22 -1.784 2.507 0.664 1.00 0.00 C ATOM 309 O CYS A 22 -1.994 2.332 1.863 1.00 0.00 O ATOM 310 CB CYS A 22 0.012 0.979 -0.177 1.00 0.00 C ATOM 311 SG CYS A 22 0.474 -0.630 -0.868 1.00 0.00 S ATOM 0 H CYS A 22 -1.112 1.751 -2.233 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.055 0.456 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.552 1.757 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.345 1.021 0.860 1.00 0.00 H new ATOM 316 N ARG A 23 -1.810 3.725 0.102 1.00 0.00 N ATOM 317 CA ARG A 23 -2.112 4.926 0.873 1.00 0.00 C ATOM 318 C ARG A 23 -3.621 5.146 1.008 1.00 0.00 C ATOM 319 O ARG A 23 -4.054 5.939 1.842 1.00 0.00 O ATOM 320 CB ARG A 23 -1.421 6.131 0.231 1.00 0.00 C ATOM 321 CG ARG A 23 0.084 6.061 0.496 1.00 0.00 C ATOM 322 CD ARG A 23 0.818 7.224 -0.173 1.00 0.00 C ATOM 323 NE ARG A 23 0.328 8.527 0.298 1.00 0.00 N ATOM 324 CZ ARG A 23 0.683 9.103 1.452 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.532 8.508 2.283 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.185 10.289 1.783 1.00 0.00 N ATOM 0 H ARG A 23 -1.624 3.897 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.727 4.799 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.611 6.143 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.829 7.056 0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.268 6.081 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.478 5.116 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.886 7.143 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.693 7.158 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.330 9.028 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.924 7.597 2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.791 8.962 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.468 10.761 1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.456 10.728 2.663 1.00 0.00 H new ATOM 340 N SER A 24 -4.418 4.448 0.197 1.00 0.00 N ATOM 341 CA SER A 24 -5.867 4.430 0.327 1.00 0.00 C ATOM 342 C SER A 24 -6.273 3.137 1.024 1.00 0.00 C ATOM 343 O SER A 24 -5.455 2.232 1.182 1.00 0.00 O ATOM 344 CB SER A 24 -6.521 4.561 -1.048 1.00 0.00 C ATOM 345 OG SER A 24 -6.213 3.431 -1.840 1.00 0.00 O ATOM 0 H SER A 24 -4.069 3.877 -0.572 1.00 0.00 H new ATOM 0 HA SER A 24 -6.207 5.275 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.601 4.655 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.171 5.468 -1.541 1.00 0.00 H new ATOM 0 HG SER A 24 -5.525 3.669 -2.496 1.00 0.00 H new ATOM 351 N CYS A 25 -7.529 3.024 1.452 1.00 0.00 N ATOM 352 CA CYS A 25 -7.954 1.818 2.138 1.00 0.00 C ATOM 353 C CYS A 25 -8.213 0.695 1.139 1.00 0.00 C ATOM 354 O CYS A 25 -8.776 0.923 0.066 1.00 0.00 O ATOM 355 CB CYS A 25 -9.149 2.098 3.038 1.00 0.00 C ATOM 356 SG CYS A 25 -9.427 0.761 4.227 1.00 0.00 S ATOM 0 H CYS A 25 -8.250 3.736 1.338 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.149 1.479 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.988 3.033 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.041 2.231 2.426 1.00 0.00 H new ATOM 361 N HIS A 26 -7.797 -0.517 1.504 1.00 0.00 N ATOM 362 CA HIS A 26 -7.894 -1.694 0.655 1.00 0.00 C ATOM 363 C HIS A 26 -8.160 -2.922 1.520 1.00 0.00 C ATOM 364 O HIS A 26 -8.087 -2.847 2.747 1.00 0.00 O ATOM 365 CB HIS A 26 -6.580 -1.831 -0.115 1.00 0.00 C ATOM 366 CG HIS A 26 -5.382 -1.739 0.791 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.571 -0.631 0.943 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.916 -2.717 1.624 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.629 -0.929 1.857 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.820 -2.192 2.281 1.00 0.00 N ATOM 0 H HIS A 26 -7.377 -0.707 2.414 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.717 -1.601 -0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.565 -2.787 -0.639 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.521 -1.050 -0.873 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.669 0.256 0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.326 -3.709 1.745 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.848 -0.264 2.195 1.00 0.00 H new ATOM 379 N ARG A 27 -8.468 -4.054 0.883 1.00 0.00 N ATOM 380 CA ARG A 27 -8.776 -5.281 1.603 1.00 0.00 C ATOM 381 C ARG A 27 -7.514 -5.889 2.214 1.00 0.00 C ATOM 382 O ARG A 27 -6.459 -5.900 1.583 1.00 0.00 O ATOM 383 CB ARG A 27 -9.455 -6.259 0.641 1.00 0.00 C ATOM 384 CG ARG A 27 -9.978 -7.509 1.355 1.00 0.00 C ATOM 385 CD ARG A 27 -11.012 -7.157 2.422 1.00 0.00 C ATOM 386 NE ARG A 27 -11.514 -8.362 3.095 1.00 0.00 N ATOM 387 CZ ARG A 27 -12.493 -8.361 4.003 1.00 0.00 C ATOM 388 NH1 ARG A 27 -13.092 -7.225 4.356 1.00 0.00 N ATOM 389 NH2 ARG A 27 -12.874 -9.500 4.566 1.00 0.00 N ATOM 0 H ARG A 27 -8.509 -4.141 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.453 -5.060 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.282 -5.757 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.746 -6.555 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.423 -8.186 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.145 -8.040 1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.566 -6.486 3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.843 -6.621 1.964 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.088 -9.257 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.804 -6.343 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.839 -7.237 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.419 -10.375 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.622 -9.501 5.260 1.00 0.00 H new ATOM 403 N GLY A 28 -7.630 -6.394 3.445 1.00 0.00 N ATOM 404 CA GLY A 28 -6.553 -7.062 4.159 1.00 0.00 C ATOM 405 C GLY A 28 -6.905 -8.520 4.440 1.00 0.00 C ATOM 406 O GLY A 28 -7.921 -9.029 3.965 1.00 0.00 O ATOM 0 H GLY A 28 -8.497 -6.346 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.636 -7.012 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.358 -6.544 5.098 1.00 0.00 H new ATOM 410 N ASP A 29 -6.065 -9.203 5.218 1.00 0.00 N ATOM 411 CA ASP A 29 -6.247 -10.616 5.521 1.00 0.00 C ATOM 412 C ASP A 29 -7.216 -10.848 6.683 1.00 0.00 C ATOM 413 O ASP A 29 -7.644 -11.979 6.900 1.00 0.00 O ATOM 414 CB ASP A 29 -4.885 -11.232 5.834 1.00 0.00 C ATOM 415 CG ASP A 29 -3.947 -11.158 4.632 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.139 -11.976 3.704 1.00 0.00 O ATOM 417 OD2 ASP A 29 -3.046 -10.290 4.653 1.00 0.00 O ATOM 0 H ASP A 29 -5.241 -8.789 5.654 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.690 -11.095 4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.435 -10.712 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.015 -12.272 6.132 1.00 0.00 H new ATOM 422 N VAL A 30 -7.562 -9.794 7.430 1.00 0.00 N ATOM 423 CA VAL A 30 -8.468 -9.886 8.576 1.00 0.00 C ATOM 424 C VAL A 30 -9.558 -8.818 8.499 1.00 0.00 C ATOM 425 O VAL A 30 -10.587 -8.927 9.168 1.00 0.00 O ATOM 426 CB VAL A 30 -7.646 -9.754 9.866 1.00 0.00 C ATOM 427 CG1 VAL A 30 -8.524 -9.905 11.108 1.00 0.00 C ATOM 428 CG2 VAL A 30 -6.562 -10.834 9.934 1.00 0.00 C ATOM 0 H VAL A 30 -7.219 -8.850 7.254 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.971 -10.853 8.568 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.197 -8.761 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.909 -9.806 12.003 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.291 -9.131 11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.999 -10.886 11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.993 -10.720 10.856 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.028 -11.819 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.893 -10.732 9.080 1.00 0.00 H new ATOM 438 N GLY A 31 -9.349 -7.780 7.683 1.00 0.00 N ATOM 439 CA GLY A 31 -10.283 -6.679 7.523 1.00 0.00 C ATOM 440 C GLY A 31 -9.669 -5.604 6.635 1.00 0.00 C ATOM 441 O GLY A 31 -8.538 -5.759 6.173 1.00 0.00 O ATOM 0 H GLY A 31 -8.511 -7.687 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.212 -7.040 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.534 -6.259 8.497 1.00 0.00 H new ATOM 445 N CYS A 32 -10.397 -4.512 6.387 1.00 0.00 N ATOM 446 CA CYS A 32 -9.879 -3.436 5.556 1.00 0.00 C ATOM 447 C CYS A 32 -8.897 -2.568 6.334 1.00 0.00 C ATOM 448 O CYS A 32 -9.095 -2.297 7.520 1.00 0.00 O ATOM 449 CB CYS A 32 -11.025 -2.612 4.973 1.00 0.00 C ATOM 450 SG CYS A 32 -11.974 -3.516 3.728 1.00 0.00 S ATOM 0 H CYS A 32 -11.338 -4.355 6.749 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.329 -3.875 4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.692 -2.304 5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.622 -1.703 4.527 1.00 0.00 H new ATOM 455 N VAL A 33 -7.836 -2.137 5.653 1.00 0.00 N ATOM 456 CA VAL A 33 -6.757 -1.357 6.244 1.00 0.00 C ATOM 457 C VAL A 33 -6.180 -0.376 5.230 1.00 0.00 C ATOM 458 O VAL A 33 -6.401 -0.513 4.027 1.00 0.00 O ATOM 459 CB VAL A 33 -5.631 -2.282 6.730 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.092 -3.163 7.887 1.00 0.00 C ATOM 461 CG2 VAL A 33 -5.114 -3.174 5.604 1.00 0.00 C ATOM 0 H VAL A 33 -7.703 -2.325 4.659 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.171 -0.805 7.087 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.824 -1.634 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.270 -3.805 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.406 -2.534 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.930 -3.780 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.318 -3.815 5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.929 -3.792 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.725 -2.553 4.797 1.00 0.00 H new ATOM 471 N ARG A 34 -5.434 0.615 5.724 1.00 0.00 N ATOM 472 CA ARG A 34 -4.699 1.550 4.882 1.00 0.00 C ATOM 473 C ARG A 34 -3.302 1.729 5.458 1.00 0.00 C ATOM 474 O ARG A 34 -3.133 1.673 6.673 1.00 0.00 O ATOM 475 CB ARG A 34 -5.456 2.874 4.757 1.00 0.00 C ATOM 476 CG ARG A 34 -5.470 3.674 6.062 1.00 0.00 C ATOM 477 CD ARG A 34 -6.290 4.954 5.888 1.00 0.00 C ATOM 478 NE ARG A 34 -5.755 5.786 4.803 1.00 0.00 N ATOM 479 CZ ARG A 34 -6.212 7.002 4.497 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.197 7.558 5.197 1.00 0.00 N ATOM 481 NH2 ARG A 34 -5.676 7.668 3.480 1.00 0.00 N ATOM 0 H ARG A 34 -5.325 0.789 6.723 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.605 1.155 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.999 3.476 3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.482 2.673 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.893 3.069 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.450 3.924 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.328 4.698 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.286 5.520 6.819 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.986 5.411 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.614 7.054 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.535 8.488 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.920 7.250 2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.021 8.598 3.241 1.00 0.00 H new ATOM 495 N CYS A 35 -2.308 1.948 4.598 1.00 0.00 N ATOM 496 CA CYS A 35 -0.913 2.004 4.999 1.00 0.00 C ATOM 497 C CYS A 35 -0.305 3.373 4.689 1.00 0.00 C ATOM 498 O CYS A 35 -1.007 4.289 4.260 1.00 0.00 O ATOM 499 CB CYS A 35 -0.150 0.896 4.279 1.00 0.00 C ATOM 500 SG CYS A 35 -0.867 -0.769 4.379 1.00 0.00 S ATOM 0 H CYS A 35 -2.454 2.092 3.599 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.842 1.856 6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.062 1.168 3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.861 0.858 4.684 1.00 0.00 H new ATOM 505 N SER A 36 1.006 3.508 4.905 1.00 0.00 N ATOM 506 CA SER A 36 1.703 4.775 4.748 1.00 0.00 C ATOM 507 C SER A 36 2.519 4.863 3.458 1.00 0.00 C ATOM 508 O SER A 36 2.685 5.954 2.919 1.00 0.00 O ATOM 509 CB SER A 36 2.621 4.952 5.954 1.00 0.00 C ATOM 510 OG SER A 36 1.847 5.089 7.129 1.00 0.00 O ATOM 0 H SER A 36 1.609 2.738 5.194 1.00 0.00 H new ATOM 0 HA SER A 36 0.957 5.568 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.287 4.094 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.250 5.831 5.818 1.00 0.00 H new ATOM 0 HG SER A 36 2.441 5.201 7.901 1.00 0.00 H new ATOM 516 N ASN A 37 3.031 3.737 2.955 1.00 0.00 N ATOM 517 CA ASN A 37 3.872 3.726 1.765 1.00 0.00 C ATOM 518 C ASN A 37 3.808 2.349 1.095 1.00 0.00 C ATOM 519 O ASN A 37 3.082 1.470 1.562 1.00 0.00 O ATOM 520 CB ASN A 37 5.307 4.091 2.184 1.00 0.00 C ATOM 521 CG ASN A 37 6.186 4.491 1.005 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.699 4.728 -0.097 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.494 4.570 1.231 1.00 0.00 N ATOM 0 H ASN A 37 2.873 2.815 3.361 1.00 0.00 H new ATOM 0 HA ASN A 37 3.521 4.457 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.273 4.912 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.758 3.240 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.127 4.834 0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.864 4.366 2.159 1.00 0.00 H new ATOM 530 N ALA A 38 4.558 2.151 0.006 1.00 0.00 N ATOM 531 CA ALA A 38 4.557 0.899 -0.731 1.00 0.00 C ATOM 532 C ALA A 38 5.868 0.679 -1.477 1.00 0.00 C ATOM 533 O ALA A 38 6.688 1.589 -1.593 1.00 0.00 O ATOM 534 CB ALA A 38 3.416 0.928 -1.743 1.00 0.00 C ATOM 0 H ALA A 38 5.180 2.859 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 38 4.432 0.085 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.403 -0.007 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.468 1.050 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.560 1.762 -2.430 1.00 0.00 H new ATOM 540 N GLN A 39 6.051 -0.541 -1.981 1.00 0.00 N ATOM 541 CA GLN A 39 7.167 -0.902 -2.838 1.00 0.00 C ATOM 542 C GLN A 39 6.760 -2.067 -3.739 1.00 0.00 C ATOM 543 O GLN A 39 5.742 -2.714 -3.497 1.00 0.00 O ATOM 544 CB GLN A 39 8.392 -1.274 -2.000 1.00 0.00 C ATOM 545 CG GLN A 39 8.118 -2.486 -1.105 1.00 0.00 C ATOM 546 CD GLN A 39 9.396 -2.950 -0.417 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.887 -4.043 -0.686 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.944 -2.126 0.474 1.00 0.00 N ATOM 0 H GLN A 39 5.413 -1.316 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 39 7.432 -0.045 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.232 -1.491 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.683 -0.424 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.369 -2.229 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.705 -3.299 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.508 -1.225 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.800 -2.395 0.959 1.00 0.00 H new ATOM 557 N CYS A 40 7.552 -2.333 -4.777 1.00 0.00 N ATOM 558 CA CYS A 40 7.308 -3.460 -5.660 1.00 0.00 C ATOM 559 C CYS A 40 8.208 -4.625 -5.254 1.00 0.00 C ATOM 560 O CYS A 40 9.356 -4.420 -4.860 1.00 0.00 O ATOM 561 CB CYS A 40 7.513 -3.046 -7.117 1.00 0.00 C ATOM 562 SG CYS A 40 6.347 -1.780 -7.691 1.00 0.00 S ATOM 0 H CYS A 40 8.371 -1.777 -5.023 1.00 0.00 H new ATOM 0 HA CYS A 40 6.273 -3.790 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.530 -2.672 -7.239 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.419 -3.927 -7.752 1.00 0.00 H new ATOM 567 N THR A 41 7.684 -5.846 -5.353 1.00 0.00 N ATOM 568 CA THR A 41 8.371 -7.058 -4.926 1.00 0.00 C ATOM 569 C THR A 41 8.296 -8.134 -6.008 1.00 0.00 C ATOM 570 O THR A 41 7.701 -7.926 -7.062 1.00 0.00 O ATOM 571 CB THR A 41 7.752 -7.569 -3.622 1.00 0.00 C ATOM 572 OG1 THR A 41 6.371 -7.799 -3.802 1.00 0.00 O ATOM 573 CG2 THR A 41 7.939 -6.551 -2.495 1.00 0.00 C ATOM 0 H THR A 41 6.756 -6.021 -5.738 1.00 0.00 H new ATOM 0 HA THR A 41 9.422 -6.824 -4.756 1.00 0.00 H new ATOM 0 HB THR A 41 8.254 -8.498 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.877 -7.442 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.491 -6.936 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.003 -6.378 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.456 -5.613 -2.768 1.00 0.00 H new ATOM 581 N GLY A 42 8.903 -9.291 -5.733 1.00 0.00 N ATOM 582 CA GLY A 42 8.944 -10.411 -6.661 1.00 0.00 C ATOM 583 C GLY A 42 10.284 -10.469 -7.388 1.00 0.00 C ATOM 584 O GLY A 42 11.132 -9.597 -7.214 1.00 0.00 O ATOM 0 H GLY A 42 9.382 -9.473 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.779 -11.343 -6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.136 -10.317 -7.387 1.00 0.00 H new ATOM 588 N PHE A 43 10.476 -11.504 -8.210 1.00 0.00 N ATOM 589 CA PHE A 43 11.729 -11.728 -8.917 1.00 0.00 C ATOM 590 C PHE A 43 11.969 -10.681 -10.006 1.00 0.00 C ATOM 591 O PHE A 43 13.099 -10.518 -10.460 1.00 0.00 O ATOM 592 CB PHE A 43 11.693 -13.135 -9.518 1.00 0.00 C ATOM 593 CG PHE A 43 12.906 -13.492 -10.351 1.00 0.00 C ATOM 594 CD1 PHE A 43 14.182 -13.517 -9.766 1.00 0.00 C ATOM 595 CD2 PHE A 43 12.758 -13.805 -11.711 1.00 0.00 C ATOM 596 CE1 PHE A 43 15.304 -13.841 -10.541 1.00 0.00 C ATOM 597 CE2 PHE A 43 13.882 -14.132 -12.484 1.00 0.00 C ATOM 598 CZ PHE A 43 15.155 -14.148 -11.899 1.00 0.00 C ATOM 0 H PHE A 43 9.763 -12.208 -8.401 1.00 0.00 H new ATOM 0 HA PHE A 43 12.556 -11.636 -8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.597 -13.860 -8.709 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.801 -13.229 -10.138 1.00 0.00 H new ATOM 0 HD1 PHE A 43 14.299 -13.286 -8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.777 -13.794 -12.163 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.285 -13.854 -10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.766 -14.372 -13.531 1.00 0.00 H new ATOM 0 HZ PHE A 43 16.021 -14.397 -12.495 1.00 0.00 H new ATOM 608 N LEU A 44 10.914 -9.971 -10.426 1.00 0.00 N ATOM 609 CA LEU A 44 10.998 -8.978 -11.487 1.00 0.00 C ATOM 610 C LEU A 44 10.247 -7.698 -11.116 1.00 0.00 C ATOM 611 O LEU A 44 10.003 -6.861 -11.983 1.00 0.00 O ATOM 612 CB LEU A 44 10.462 -9.575 -12.794 1.00 0.00 C ATOM 613 CG LEU A 44 11.321 -10.737 -13.309 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.628 -11.377 -14.509 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.703 -10.252 -13.759 1.00 0.00 C ATOM 0 H LEU A 44 9.978 -10.075 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 44 12.044 -8.705 -11.626 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.441 -9.924 -12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.419 -8.795 -13.554 1.00 0.00 H new ATOM 0 HG LEU A 44 11.443 -11.452 -12.496 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.233 -12.204 -14.880 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.649 -11.750 -14.207 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.506 -10.634 -15.297 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.287 -11.099 -14.118 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.589 -9.523 -14.562 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.217 -9.788 -12.918 1.00 0.00 H new ATOM 627 N GLY A 45 9.876 -7.538 -9.841 1.00 0.00 N ATOM 628 CA GLY A 45 9.140 -6.365 -9.389 1.00 0.00 C ATOM 629 C GLY A 45 7.686 -6.392 -9.859 1.00 0.00 C ATOM 630 O GLY A 45 7.011 -5.366 -9.840 1.00 0.00 O ATOM 0 H GLY A 45 10.078 -8.214 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.169 -6.315 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.626 -5.464 -9.763 1.00 0.00 H new ATOM 634 N THR A 46 7.200 -7.562 -10.283 1.00 0.00 N ATOM 635 CA THR A 46 5.865 -7.723 -10.846 1.00 0.00 C ATOM 636 C THR A 46 4.772 -7.831 -9.779 1.00 0.00 C ATOM 637 O THR A 46 3.623 -8.117 -10.111 1.00 0.00 O ATOM 638 CB THR A 46 5.844 -8.942 -11.771 1.00 0.00 C ATOM 639 OG1 THR A 46 6.356 -10.074 -11.100 1.00 0.00 O ATOM 640 CG2 THR A 46 6.701 -8.678 -13.008 1.00 0.00 C ATOM 0 H THR A 46 7.732 -8.431 -10.243 1.00 0.00 H new ATOM 0 HA THR A 46 5.641 -6.822 -11.416 1.00 0.00 H new ATOM 0 HB THR A 46 4.812 -9.127 -12.068 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.336 -10.848 -11.701 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.679 -9.552 -13.659 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.308 -7.815 -13.545 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.728 -8.479 -12.703 1.00 0.00 H new ATOM 648 N THR A 47 5.113 -7.608 -8.508 1.00 0.00 N ATOM 649 CA THR A 47 4.163 -7.703 -7.404 1.00 0.00 C ATOM 650 C THR A 47 4.165 -6.413 -6.592 1.00 0.00 C ATOM 651 O THR A 47 5.162 -5.694 -6.572 1.00 0.00 O ATOM 652 CB THR A 47 4.507 -8.923 -6.541 1.00 0.00 C ATOM 653 OG1 THR A 47 4.553 -10.074 -7.355 1.00 0.00 O ATOM 654 CG2 THR A 47 3.474 -9.155 -5.442 1.00 0.00 C ATOM 0 H THR A 47 6.058 -7.356 -8.218 1.00 0.00 H new ATOM 0 HA THR A 47 3.154 -7.836 -7.794 1.00 0.00 H new ATOM 0 HB THR A 47 5.473 -8.731 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.774 -10.855 -6.805 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.757 -10.029 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.431 -8.280 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.495 -9.322 -5.892 1.00 0.00 H new ATOM 662 N CYS A 48 3.049 -6.114 -5.919 1.00 0.00 N ATOM 663 CA CYS A 48 2.900 -4.920 -5.103 1.00 0.00 C ATOM 664 C CYS A 48 2.811 -5.298 -3.627 1.00 0.00 C ATOM 665 O CYS A 48 2.173 -6.291 -3.280 1.00 0.00 O ATOM 666 CB CYS A 48 1.650 -4.162 -5.565 1.00 0.00 C ATOM 667 SG CYS A 48 1.162 -2.770 -4.511 1.00 0.00 S ATOM 0 H CYS A 48 2.218 -6.706 -5.930 1.00 0.00 H new ATOM 0 HA CYS A 48 3.769 -4.273 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.822 -3.790 -6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.818 -4.864 -5.621 1.00 0.00 H new ATOM 672 N THR A 49 3.449 -4.502 -2.764 1.00 0.00 N ATOM 673 CA THR A 49 3.447 -4.716 -1.319 1.00 0.00 C ATOM 674 C THR A 49 3.408 -3.370 -0.603 1.00 0.00 C ATOM 675 O THR A 49 4.011 -2.398 -1.060 1.00 0.00 O ATOM 676 CB THR A 49 4.696 -5.514 -0.923 1.00 0.00 C ATOM 677 OG1 THR A 49 4.671 -6.773 -1.557 1.00 0.00 O ATOM 678 CG2 THR A 49 4.759 -5.753 0.585 1.00 0.00 C ATOM 0 H THR A 49 3.985 -3.684 -3.054 1.00 0.00 H new ATOM 0 HA THR A 49 2.564 -5.285 -1.027 1.00 0.00 H new ATOM 0 HB THR A 49 5.565 -4.932 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.358 -7.351 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.657 -6.321 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.785 -4.795 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.879 -6.313 0.902 1.00 0.00 H new ATOM 686 N CYS A 50 2.696 -3.303 0.526 1.00 0.00 N ATOM 687 CA CYS A 50 2.569 -2.076 1.299 1.00 0.00 C ATOM 688 C CYS A 50 3.573 -2.043 2.453 1.00 0.00 C ATOM 689 O CYS A 50 4.131 -3.070 2.838 1.00 0.00 O ATOM 690 CB CYS A 50 1.136 -1.924 1.810 1.00 0.00 C ATOM 691 SG CYS A 50 -0.150 -1.980 0.528 1.00 0.00 S ATOM 0 H CYS A 50 2.195 -4.098 0.924 1.00 0.00 H new ATOM 0 HA CYS A 50 2.796 -1.232 0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.939 -2.714 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.055 -0.976 2.342 1.00 0.00 H new ATOM 696 N ILE A 51 3.800 -0.848 3.006 1.00 0.00 N ATOM 697 CA ILE A 51 4.741 -0.627 4.101 1.00 0.00 C ATOM 698 C ILE A 51 3.975 -0.361 5.396 1.00 0.00 C ATOM 699 O ILE A 51 2.943 0.306 5.383 1.00 0.00 O ATOM 700 CB ILE A 51 5.656 0.551 3.743 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.434 0.290 2.445 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.632 0.862 4.876 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.378 -0.909 2.536 1.00 0.00 C ATOM 0 H ILE A 51 3.328 0.003 2.700 1.00 0.00 H new ATOM 0 HA ILE A 51 5.357 -1.514 4.253 1.00 0.00 H new ATOM 0 HB ILE A 51 5.010 1.415 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.726 0.126 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.011 1.179 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.266 1.702 4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.074 1.119 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.254 -0.012 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.896 -1.037 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.108 -0.738 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.804 -1.808 2.760 1.00 0.00 H new ATOM 715 N ASN A 52 4.482 -0.882 6.516 1.00 0.00 N ATOM 716 CA ASN A 52 3.838 -0.728 7.816 1.00 0.00 C ATOM 717 C ASN A 52 4.003 0.701 8.344 1.00 0.00 C ATOM 718 O ASN A 52 4.940 1.398 7.952 1.00 0.00 O ATOM 719 CB ASN A 52 4.419 -1.758 8.789 1.00 0.00 C ATOM 720 CG ASN A 52 5.905 -1.526 9.045 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.276 -0.720 9.895 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.764 -2.229 8.310 1.00 0.00 N ATOM 0 H ASN A 52 5.348 -1.420 6.544 1.00 0.00 H new ATOM 0 HA ASN A 52 2.768 -0.906 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.877 -1.711 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.272 -2.760 8.386 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.768 -2.107 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.418 -2.889 7.614 1.00 0.00 H new ATOM 729 N PRO A 53 3.108 1.157 9.233 1.00 0.00 N ATOM 730 CA PRO A 53 1.950 0.444 9.743 1.00 0.00 C ATOM 731 C PRO A 53 0.806 0.422 8.728 1.00 0.00 C ATOM 732 O PRO A 53 0.840 1.132 7.725 1.00 0.00 O ATOM 733 CB PRO A 53 1.546 1.208 11.004 1.00 0.00 C ATOM 734 CG PRO A 53 1.903 2.647 10.636 1.00 0.00 C ATOM 735 CD PRO A 53 3.193 2.476 9.836 1.00 0.00 C ATOM 0 HA PRO A 53 2.180 -0.602 9.946 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.485 1.096 11.226 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.093 0.864 11.882 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.119 3.121 10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.053 3.266 11.520 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.287 3.250 9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.068 2.556 10.481 1.00 0.00 H new ATOM 743 N CYS A 54 -0.210 -0.403 9.001 1.00 0.00 N ATOM 744 CA CYS A 54 -1.397 -0.525 8.166 1.00 0.00 C ATOM 745 C CYS A 54 -2.644 -0.649 9.053 1.00 0.00 C ATOM 746 O CYS A 54 -3.261 -1.711 9.101 1.00 0.00 O ATOM 747 CB CYS A 54 -1.259 -1.750 7.260 1.00 0.00 C ATOM 748 SG CYS A 54 0.021 -1.670 5.982 1.00 0.00 S ATOM 0 H CYS A 54 -0.226 -1.010 9.820 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.501 0.364 7.543 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.060 -2.618 7.888 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.218 -1.923 6.772 1.00 0.00 H new ATOM 753 N PRO A 55 -3.024 0.424 9.758 1.00 0.00 N ATOM 754 CA PRO A 55 -4.186 0.454 10.635 1.00 0.00 C ATOM 755 C PRO A 55 -5.504 0.374 9.856 1.00 0.00 C ATOM 756 O PRO A 55 -5.521 0.447 8.627 1.00 0.00 O ATOM 757 CB PRO A 55 -4.085 1.790 11.379 1.00 0.00 C ATOM 758 CG PRO A 55 -3.359 2.683 10.373 1.00 0.00 C ATOM 759 CD PRO A 55 -2.356 1.710 9.761 1.00 0.00 C ATOM 0 HA PRO A 55 -4.191 -0.405 11.307 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.068 2.186 11.636 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.527 1.693 12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.038 3.094 9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.867 3.528 10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.081 2.013 8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.436 1.674 10.345 1.00 0.00 H new ATOM 767 N ARG A 56 -6.615 0.222 10.587 1.00 0.00 N ATOM 768 CA ARG A 56 -7.955 0.168 10.018 1.00 0.00 C ATOM 769 C ARG A 56 -8.333 1.518 9.407 1.00 0.00 C ATOM 770 O ARG A 56 -7.633 2.511 9.599 1.00 0.00 O ATOM 771 CB ARG A 56 -8.965 -0.197 11.111 1.00 0.00 C ATOM 772 CG ARG A 56 -8.708 -1.580 11.718 1.00 0.00 C ATOM 773 CD ARG A 56 -8.906 -2.693 10.686 1.00 0.00 C ATOM 774 NE ARG A 56 -8.803 -4.020 11.304 1.00 0.00 N ATOM 775 CZ ARG A 56 -7.660 -4.665 11.547 1.00 0.00 C ATOM 776 NH1 ARG A 56 -6.487 -4.123 11.225 1.00 0.00 N ATOM 777 NH2 ARG A 56 -7.681 -5.865 12.116 1.00 0.00 N ATOM 0 H ARG A 56 -6.602 0.132 11.603 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.970 -0.590 9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.927 0.554 11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.971 -0.170 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.692 -1.623 12.110 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.382 -1.739 12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.883 -2.584 10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.159 -2.598 9.898 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.671 -4.485 11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.454 -3.203 10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.622 -4.628 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.571 -6.295 12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.807 -6.357 12.301 1.00 0.00 H new ATOM 791 N CYS A 57 -9.444 1.548 8.670 1.00 0.00 N ATOM 792 CA CYS A 57 -9.937 2.762 8.034 1.00 0.00 C ATOM 793 C CYS A 57 -11.426 2.976 8.305 1.00 0.00 C ATOM 794 O CYS A 57 -11.875 4.133 8.151 1.00 0.00 O ATOM 795 CB CYS A 57 -9.635 2.697 6.536 1.00 0.00 C ATOM 796 SG CYS A 57 -10.695 1.565 5.598 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.105 1.987 8.666 1.00 0.00 O ATOM 0 H CYS A 57 -10.026 0.728 8.499 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.424 3.623 8.462 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.734 3.698 6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.596 2.396 6.401 1.00 0.00 H new