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 -139:sc= 0.771 USER MOD Set 1.2: A 49 THR OG1 : rot -161:sc= 0.695 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00498 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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= 0.608 K(o=0.61,f=-4.7!) USER MOD Single : A 21 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.74) USER MOD Single : A 24 SER OG : rot -100:sc= 0.284 USER MOD Single : A 26 HIS : no HE2:sc= 0.0834 K(o=0.083,f=-3.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.115 K(o=0.11,f=-7.1!) USER MOD Single : A 39 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.4) USER MOD Single : A 46 THR OG1 : rot -80:sc= 0.332 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -12.936 -0.893 0.329 1.00 0.00 N ATOM 29 CA CYS A 3 -11.615 -1.473 0.188 1.00 0.00 C ATOM 30 C CYS A 3 -11.598 -2.536 -0.916 1.00 0.00 C ATOM 31 O CYS A 3 -11.904 -3.700 -0.661 1.00 0.00 O ATOM 32 CB CYS A 3 -11.199 -2.096 1.520 1.00 0.00 C ATOM 33 SG CYS A 3 -12.481 -3.062 2.364 1.00 0.00 S ATOM 0 HA CYS A 3 -10.912 -0.688 -0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.338 -2.741 1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.871 -1.299 2.187 1.00 0.00 H new ATOM 38 N PRO A 4 -11.246 -2.144 -2.144 1.00 0.00 N ATOM 39 CA PRO A 4 -11.070 -3.060 -3.256 1.00 0.00 C ATOM 40 C PRO A 4 -9.750 -3.819 -3.110 1.00 0.00 C ATOM 41 O PRO A 4 -8.953 -3.516 -2.218 1.00 0.00 O ATOM 42 CB PRO A 4 -11.080 -2.167 -4.499 1.00 0.00 C ATOM 43 CG PRO A 4 -10.476 -0.863 -3.982 1.00 0.00 C ATOM 44 CD PRO A 4 -10.995 -0.774 -2.551 1.00 0.00 C ATOM 0 HA PRO A 4 -11.849 -3.821 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.488 -2.594 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.089 -2.021 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.387 -0.885 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.795 -0.008 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.264 -0.298 -1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.905 -0.176 -2.500 1.00 0.00 H new ATOM 52 N THR A 5 -9.520 -4.800 -3.986 1.00 0.00 N ATOM 53 CA THR A 5 -8.316 -5.620 -3.945 1.00 0.00 C ATOM 54 C THR A 5 -7.544 -5.489 -5.256 1.00 0.00 C ATOM 55 O THR A 5 -8.097 -5.743 -6.326 1.00 0.00 O ATOM 56 CB THR A 5 -8.692 -7.084 -3.702 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.557 -7.185 -2.595 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.441 -7.916 -3.425 1.00 0.00 C ATOM 0 H THR A 5 -10.163 -5.044 -4.739 1.00 0.00 H new ATOM 0 HA THR A 5 -7.681 -5.275 -3.129 1.00 0.00 H new ATOM 0 HB THR A 5 -9.190 -7.460 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.793 -8.125 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.725 -8.954 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.769 -7.860 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.935 -7.528 -2.541 1.00 0.00 H new ATOM 66 N ARG A 6 -6.269 -5.094 -5.169 1.00 0.00 N ATOM 67 CA ARG A 6 -5.382 -4.996 -6.321 1.00 0.00 C ATOM 68 C ARG A 6 -3.976 -5.412 -5.900 1.00 0.00 C ATOM 69 O ARG A 6 -3.527 -5.044 -4.817 1.00 0.00 O ATOM 70 CB ARG A 6 -5.349 -3.550 -6.834 1.00 0.00 C ATOM 71 CG ARG A 6 -6.693 -3.054 -7.372 1.00 0.00 C ATOM 72 CD ARG A 6 -7.086 -3.793 -8.651 1.00 0.00 C ATOM 73 NE ARG A 6 -8.280 -3.192 -9.262 1.00 0.00 N ATOM 74 CZ ARG A 6 -9.541 -3.546 -9.003 1.00 0.00 C ATOM 75 NH1 ARG A 6 -9.824 -4.517 -8.137 1.00 0.00 N ATOM 76 NH2 ARG A 6 -10.543 -2.923 -9.622 1.00 0.00 N ATOM 0 H ARG A 6 -5.826 -4.833 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.745 -5.649 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.028 -2.894 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.601 -3.471 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.465 -3.196 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.635 -1.984 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.258 -3.766 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.278 -4.842 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.133 -2.443 -9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.070 -5.007 -7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.795 -4.771 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.345 -2.179 -10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.508 -3.190 -9.427 1.00 0.00 H new ATOM 90 N ARG A 7 -3.282 -6.176 -6.748 1.00 0.00 N ATOM 91 CA ARG A 7 -1.918 -6.631 -6.483 1.00 0.00 C ATOM 92 C ARG A 7 -1.043 -6.554 -7.734 1.00 0.00 C ATOM 93 O ARG A 7 0.180 -6.628 -7.631 1.00 0.00 O ATOM 94 CB ARG A 7 -1.961 -8.074 -5.973 1.00 0.00 C ATOM 95 CG ARG A 7 -2.645 -8.194 -4.614 1.00 0.00 C ATOM 96 CD ARG A 7 -1.877 -7.420 -3.537 1.00 0.00 C ATOM 97 NE ARG A 7 -2.437 -7.666 -2.205 1.00 0.00 N ATOM 98 CZ ARG A 7 -3.296 -6.868 -1.565 1.00 0.00 C ATOM 99 NH1 ARG A 7 -3.732 -5.738 -2.117 1.00 0.00 N ATOM 100 NH2 ARG A 7 -3.731 -7.208 -0.354 1.00 0.00 N ATOM 0 H ARG A 7 -3.654 -6.497 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.479 -5.975 -5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.487 -8.696 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.944 -8.460 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.664 -7.813 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.715 -9.244 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.828 -7.714 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.912 -6.353 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.146 -8.519 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.410 -5.467 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.388 -5.143 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.408 -8.073 0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.387 -6.603 0.141 1.00 0.00 H new ATOM 114 N GLY A 8 -1.661 -6.403 -8.908 1.00 0.00 N ATOM 115 CA GLY A 8 -0.959 -6.344 -10.189 1.00 0.00 C ATOM 116 C GLY A 8 -0.529 -4.925 -10.557 1.00 0.00 C ATOM 117 O GLY A 8 -0.154 -4.676 -11.702 1.00 0.00 O ATOM 0 H GLY A 8 -2.674 -6.318 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.080 -6.987 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.606 -6.739 -10.972 1.00 0.00 H new ATOM 121 N LEU A 9 -0.583 -3.993 -9.602 1.00 0.00 N ATOM 122 CA LEU A 9 -0.298 -2.586 -9.851 1.00 0.00 C ATOM 123 C LEU A 9 1.153 -2.349 -10.281 1.00 0.00 C ATOM 124 O LEU A 9 1.462 -1.294 -10.829 1.00 0.00 O ATOM 125 CB LEU A 9 -0.611 -1.797 -8.581 1.00 0.00 C ATOM 126 CG LEU A 9 -2.083 -1.924 -8.176 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.287 -1.264 -6.819 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.003 -1.248 -9.188 1.00 0.00 C ATOM 0 H LEU A 9 -0.827 -4.198 -8.633 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.924 -2.249 -10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.021 -2.153 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.367 -0.746 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.330 -2.985 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.333 -1.351 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.659 -1.757 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.015 -0.210 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.039 -1.358 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.755 -0.189 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.873 -1.713 -10.165 1.00 0.00 H new ATOM 140 N CYS A 10 2.048 -3.316 -10.044 1.00 0.00 N ATOM 141 CA CYS A 10 3.446 -3.182 -10.415 1.00 0.00 C ATOM 142 C CYS A 10 3.746 -3.842 -11.763 1.00 0.00 C ATOM 143 O CYS A 10 4.897 -3.857 -12.191 1.00 0.00 O ATOM 144 CB CYS A 10 4.324 -3.762 -9.308 1.00 0.00 C ATOM 145 SG CYS A 10 4.292 -2.844 -7.749 1.00 0.00 S ATOM 0 H CYS A 10 1.818 -4.202 -9.594 1.00 0.00 H new ATOM 0 HA CYS A 10 3.671 -2.122 -10.532 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.010 -4.788 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.353 -3.806 -9.666 1.00 0.00 H new ATOM 150 N VAL A 11 2.728 -4.390 -12.441 1.00 0.00 N ATOM 151 CA VAL A 11 2.929 -5.087 -13.706 1.00 0.00 C ATOM 152 C VAL A 11 2.937 -4.118 -14.887 1.00 0.00 C ATOM 153 O VAL A 11 3.602 -4.378 -15.887 1.00 0.00 O ATOM 154 CB VAL A 11 1.837 -6.151 -13.881 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.030 -6.918 -15.191 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.889 -7.157 -12.734 1.00 0.00 C ATOM 0 H VAL A 11 1.757 -4.361 -12.129 1.00 0.00 H new ATOM 0 HA VAL A 11 3.905 -5.571 -13.683 1.00 0.00 H new ATOM 0 HB VAL A 11 0.876 -5.636 -13.891 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.244 -7.667 -15.293 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.981 -6.224 -16.030 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.002 -7.411 -15.184 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.109 -7.906 -12.871 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.863 -7.646 -12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.732 -6.639 -11.788 1.00 0.00 H new ATOM 166 N THR A 12 2.204 -3.003 -14.786 1.00 0.00 N ATOM 167 CA THR A 12 2.136 -2.031 -15.875 1.00 0.00 C ATOM 168 C THR A 12 1.781 -0.622 -15.387 1.00 0.00 C ATOM 169 O THR A 12 2.141 0.362 -16.031 1.00 0.00 O ATOM 170 CB THR A 12 1.101 -2.516 -16.899 1.00 0.00 C ATOM 171 OG1 THR A 12 1.121 -1.676 -18.032 1.00 0.00 O ATOM 172 CG2 THR A 12 -0.317 -2.541 -16.325 1.00 0.00 C ATOM 0 H THR A 12 1.653 -2.755 -13.964 1.00 0.00 H new ATOM 0 HA THR A 12 3.124 -1.960 -16.330 1.00 0.00 H new ATOM 0 HB THR A 12 1.372 -3.536 -17.172 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.460 -1.990 -18.684 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.012 -2.891 -17.088 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.351 -3.213 -15.468 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.600 -1.537 -16.010 1.00 0.00 H new ATOM 180 N SER A 13 1.081 -0.513 -14.256 1.00 0.00 N ATOM 181 CA SER A 13 0.678 0.783 -13.725 1.00 0.00 C ATOM 182 C SER A 13 1.823 1.466 -12.981 1.00 0.00 C ATOM 183 O SER A 13 1.801 2.681 -12.785 1.00 0.00 O ATOM 184 CB SER A 13 -0.508 0.579 -12.794 1.00 0.00 C ATOM 185 OG SER A 13 -1.628 0.107 -13.521 1.00 0.00 O ATOM 0 H SER A 13 0.783 -1.309 -13.693 1.00 0.00 H new ATOM 0 HA SER A 13 0.399 1.433 -14.554 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.247 -0.134 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.756 1.518 -12.299 1.00 0.00 H new ATOM 0 HG SER A 13 -2.384 -0.022 -12.910 1.00 0.00 H new ATOM 191 N GLY A 14 2.820 0.682 -12.571 1.00 0.00 N ATOM 192 CA GLY A 14 4.037 1.176 -11.943 1.00 0.00 C ATOM 193 C GLY A 14 3.893 1.340 -10.435 1.00 0.00 C ATOM 194 O GLY A 14 2.801 1.225 -9.881 1.00 0.00 O ATOM 0 H GLY A 14 2.800 -0.333 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.855 0.487 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.306 2.135 -12.385 1.00 0.00 H new ATOM 198 N LEU A 15 5.017 1.616 -9.769 1.00 0.00 N ATOM 199 CA LEU A 15 5.062 1.757 -8.319 1.00 0.00 C ATOM 200 C LEU A 15 4.159 2.896 -7.849 1.00 0.00 C ATOM 201 O LEU A 15 3.657 2.855 -6.729 1.00 0.00 O ATOM 202 CB LEU A 15 6.521 2.012 -7.917 1.00 0.00 C ATOM 203 CG LEU A 15 6.677 2.325 -6.423 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.187 1.174 -5.550 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.147 2.573 -6.110 1.00 0.00 C ATOM 0 H LEU A 15 5.920 1.747 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 15 4.695 0.847 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.120 1.136 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.915 2.844 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 15 6.076 3.208 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.314 1.435 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.132 0.987 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.764 0.277 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.261 2.796 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.727 1.684 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.507 3.417 -6.698 1.00 0.00 H new ATOM 217 N THR A 16 3.945 3.910 -8.690 1.00 0.00 N ATOM 218 CA THR A 16 3.110 5.047 -8.329 1.00 0.00 C ATOM 219 C THR A 16 1.676 4.597 -8.067 1.00 0.00 C ATOM 220 O THR A 16 0.992 5.168 -7.222 1.00 0.00 O ATOM 221 CB THR A 16 3.149 6.083 -9.455 1.00 0.00 C ATOM 222 OG1 THR A 16 4.491 6.390 -9.770 1.00 0.00 O ATOM 223 CG2 THR A 16 2.438 7.370 -9.035 1.00 0.00 C ATOM 0 H THR A 16 4.342 3.963 -9.628 1.00 0.00 H new ATOM 0 HA THR A 16 3.495 5.497 -7.414 1.00 0.00 H new ATOM 0 HB THR A 16 2.642 5.662 -10.323 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.514 7.052 -10.492 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.479 8.091 -9.851 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.397 7.150 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.930 7.788 -8.157 1.00 0.00 H new ATOM 231 N ALA A 17 1.207 3.569 -8.783 1.00 0.00 N ATOM 232 CA ALA A 17 -0.141 3.067 -8.593 1.00 0.00 C ATOM 233 C ALA A 17 -0.205 2.168 -7.360 1.00 0.00 C ATOM 234 O ALA A 17 -1.220 2.141 -6.666 1.00 0.00 O ATOM 235 CB ALA A 17 -0.573 2.315 -9.849 1.00 0.00 C ATOM 0 H ALA A 17 1.746 3.076 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.825 3.899 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.585 1.934 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.550 2.991 -10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.107 1.482 -10.027 1.00 0.00 H new ATOM 241 N CYS A 18 0.876 1.437 -7.083 1.00 0.00 N ATOM 242 CA CYS A 18 0.960 0.603 -5.898 1.00 0.00 C ATOM 243 C CYS A 18 1.032 1.483 -4.652 1.00 0.00 C ATOM 244 O CYS A 18 0.573 1.085 -3.582 1.00 0.00 O ATOM 245 CB CYS A 18 2.197 -0.290 -6.032 1.00 0.00 C ATOM 246 SG CYS A 18 2.548 -1.337 -4.593 1.00 0.00 S ATOM 0 H CYS A 18 1.708 1.411 -7.673 1.00 0.00 H new ATOM 0 HA CYS A 18 0.076 -0.027 -5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.072 -0.930 -6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.064 0.343 -6.222 1.00 0.00 H new ATOM 251 N ARG A 19 1.601 2.685 -4.780 1.00 0.00 N ATOM 252 CA ARG A 19 1.710 3.626 -3.674 1.00 0.00 C ATOM 253 C ARG A 19 0.393 4.359 -3.446 1.00 0.00 C ATOM 254 O ARG A 19 0.082 4.727 -2.316 1.00 0.00 O ATOM 255 CB ARG A 19 2.838 4.608 -3.994 1.00 0.00 C ATOM 256 CG ARG A 19 3.327 5.308 -2.727 1.00 0.00 C ATOM 257 CD ARG A 19 4.432 6.300 -3.079 1.00 0.00 C ATOM 258 NE ARG A 19 4.983 6.913 -1.864 1.00 0.00 N ATOM 259 CZ ARG A 19 5.336 8.195 -1.752 1.00 0.00 C ATOM 260 NH1 ARG A 19 5.224 9.029 -2.786 1.00 0.00 N ATOM 261 NH2 ARG A 19 5.807 8.652 -0.597 1.00 0.00 N ATOM 0 H ARG A 19 1.997 3.028 -5.655 1.00 0.00 H new ATOM 0 HA ARG A 19 1.936 3.090 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.666 4.077 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.487 5.350 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.499 5.828 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.700 4.572 -2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.224 5.790 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.037 7.074 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 19 5.105 6.316 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.864 8.690 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.498 10.006 -2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.898 8.023 0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.078 9.631 -0.508 1.00 0.00 H new ATOM 275 N ASN A 20 -0.381 4.571 -4.512 1.00 0.00 N ATOM 276 CA ASN A 20 -1.687 5.209 -4.406 1.00 0.00 C ATOM 277 C ASN A 20 -2.739 4.229 -3.877 1.00 0.00 C ATOM 278 O ASN A 20 -3.784 4.657 -3.392 1.00 0.00 O ATOM 279 CB ASN A 20 -2.089 5.761 -5.774 1.00 0.00 C ATOM 280 CG ASN A 20 -1.190 6.905 -6.221 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.389 7.423 -5.443 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.313 7.313 -7.480 1.00 0.00 N ATOM 0 H ASN A 20 -0.121 4.307 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.626 6.031 -3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.049 4.960 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.122 6.107 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.734 8.077 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.987 6.862 -8.099 1.00 0.00 H new ATOM 289 N HIS A 21 -2.468 2.922 -3.968 1.00 0.00 N ATOM 290 CA HIS A 21 -3.363 1.900 -3.454 1.00 0.00 C ATOM 291 C HIS A 21 -3.077 1.608 -1.979 1.00 0.00 C ATOM 292 O HIS A 21 -3.987 1.273 -1.223 1.00 0.00 O ATOM 293 CB HIS A 21 -3.178 0.640 -4.298 1.00 0.00 C ATOM 294 CG HIS A 21 -4.054 -0.506 -3.870 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.409 -0.623 -4.090 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.650 -1.626 -3.193 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.806 -1.792 -3.558 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.768 -2.447 -3.007 1.00 0.00 N ATOM 0 H HIS A 21 -1.622 2.552 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.394 2.248 -3.518 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.388 0.877 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.135 0.328 -4.246 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.645 -1.838 -2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.822 -2.157 -3.571 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.791 -3.357 -2.547 1.00 0.00 H new ATOM 306 N CYS A 22 -1.813 1.741 -1.569 1.00 0.00 N ATOM 307 CA CYS A 22 -1.429 1.543 -0.179 1.00 0.00 C ATOM 308 C CYS A 22 -1.727 2.770 0.683 1.00 0.00 C ATOM 309 O CYS A 22 -1.885 2.635 1.889 1.00 0.00 O ATOM 310 CB CYS A 22 0.054 1.197 -0.116 1.00 0.00 C ATOM 311 SG CYS A 22 0.474 -0.431 -0.785 1.00 0.00 S ATOM 0 H CYS A 22 -1.039 1.986 -2.187 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.022 0.722 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.615 1.956 -0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.381 1.244 0.923 1.00 0.00 H new ATOM 316 N ARG A 23 -1.808 3.961 0.071 1.00 0.00 N ATOM 317 CA ARG A 23 -2.132 5.189 0.797 1.00 0.00 C ATOM 318 C ARG A 23 -3.647 5.406 0.866 1.00 0.00 C ATOM 319 O ARG A 23 -4.106 6.469 1.281 1.00 0.00 O ATOM 320 CB ARG A 23 -1.402 6.383 0.182 1.00 0.00 C ATOM 321 CG ARG A 23 0.097 6.271 0.460 1.00 0.00 C ATOM 322 CD ARG A 23 0.840 7.512 -0.035 1.00 0.00 C ATOM 323 NE ARG A 23 0.717 7.683 -1.487 1.00 0.00 N ATOM 324 CZ ARG A 23 1.180 8.745 -2.148 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.806 9.726 -1.504 1.00 0.00 N ATOM 326 NH2 ARG A 23 1.023 8.835 -3.466 1.00 0.00 N ATOM 0 H ARG A 23 -1.652 4.095 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.783 5.089 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.581 6.416 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.790 7.312 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.264 6.146 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.496 5.384 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.447 8.395 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.894 7.435 0.233 1.00 0.00 H new ATOM 0 HE ARG A 23 0.252 6.949 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.936 9.671 -0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.156 10.533 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.547 8.090 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.379 9.649 -3.968 1.00 0.00 H new ATOM 340 N SER A 24 -4.418 4.398 0.457 1.00 0.00 N ATOM 341 CA SER A 24 -5.870 4.388 0.551 1.00 0.00 C ATOM 342 C SER A 24 -6.306 3.051 1.137 1.00 0.00 C ATOM 343 O SER A 24 -5.489 2.141 1.281 1.00 0.00 O ATOM 344 CB SER A 24 -6.489 4.622 -0.827 1.00 0.00 C ATOM 345 OG SER A 24 -6.133 3.580 -1.711 1.00 0.00 O ATOM 0 H SER A 24 -4.037 3.548 0.042 1.00 0.00 H new ATOM 0 HA SER A 24 -6.214 5.192 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.574 4.679 -0.740 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.151 5.578 -1.227 1.00 0.00 H new ATOM 0 HG SER A 24 -5.396 3.876 -2.286 1.00 0.00 H new ATOM 351 N CYS A 25 -7.588 2.916 1.484 1.00 0.00 N ATOM 352 CA CYS A 25 -8.061 1.687 2.097 1.00 0.00 C ATOM 353 C CYS A 25 -8.152 0.566 1.063 1.00 0.00 C ATOM 354 O CYS A 25 -8.673 0.763 -0.036 1.00 0.00 O ATOM 355 CB CYS A 25 -9.395 1.925 2.796 1.00 0.00 C ATOM 356 SG CYS A 25 -9.332 3.276 4.000 1.00 0.00 S ATOM 0 H CYS A 25 -8.301 3.633 1.351 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.342 1.370 2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.156 2.147 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.703 1.009 3.301 1.00 0.00 H new ATOM 361 N HIS A 26 -7.638 -0.614 1.416 1.00 0.00 N ATOM 362 CA HIS A 26 -7.602 -1.770 0.531 1.00 0.00 C ATOM 363 C HIS A 26 -7.756 -3.054 1.342 1.00 0.00 C ATOM 364 O HIS A 26 -7.688 -3.033 2.571 1.00 0.00 O ATOM 365 CB HIS A 26 -6.270 -1.762 -0.216 1.00 0.00 C ATOM 366 CG HIS A 26 -5.106 -1.628 0.724 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.425 -0.460 1.007 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.544 -2.632 1.463 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.472 -0.745 1.914 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.529 -2.061 2.205 1.00 0.00 N ATOM 0 H HIS A 26 -7.232 -0.791 2.335 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.423 -1.724 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.170 -2.683 -0.790 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.258 -0.938 -0.930 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.611 0.457 0.600 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.837 -3.671 1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.776 -0.037 2.339 1.00 0.00 H new ATOM 379 N ARG A 27 -7.964 -4.178 0.647 1.00 0.00 N ATOM 380 CA ARG A 27 -8.146 -5.471 1.290 1.00 0.00 C ATOM 381 C ARG A 27 -6.816 -6.019 1.808 1.00 0.00 C ATOM 382 O ARG A 27 -5.792 -5.901 1.136 1.00 0.00 O ATOM 383 CB ARG A 27 -8.798 -6.433 0.293 1.00 0.00 C ATOM 384 CG ARG A 27 -9.136 -7.789 0.919 1.00 0.00 C ATOM 385 CD ARG A 27 -10.122 -7.647 2.080 1.00 0.00 C ATOM 386 NE ARG A 27 -10.402 -8.953 2.687 1.00 0.00 N ATOM 387 CZ ARG A 27 -11.324 -9.160 3.630 1.00 0.00 C ATOM 388 NH1 ARG A 27 -12.069 -8.158 4.093 1.00 0.00 N ATOM 389 NH2 ARG A 27 -11.511 -10.380 4.118 1.00 0.00 N ATOM 0 H ARG A 27 -8.010 -4.211 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.799 -5.358 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.709 -5.981 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.127 -6.584 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.561 -8.445 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.221 -8.264 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.712 -6.972 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.050 -7.200 1.723 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.857 -9.754 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.940 -7.215 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.769 -8.334 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.950 -11.159 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.215 -10.539 4.839 1.00 0.00 H new ATOM 403 N GLY A 28 -6.843 -6.616 3.000 1.00 0.00 N ATOM 404 CA GLY A 28 -5.689 -7.249 3.621 1.00 0.00 C ATOM 405 C GLY A 28 -5.908 -8.751 3.773 1.00 0.00 C ATOM 406 O GLY A 28 -6.875 -9.302 3.243 1.00 0.00 O ATOM 0 H GLY A 28 -7.688 -6.672 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.800 -7.066 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.507 -6.803 4.599 1.00 0.00 H new ATOM 410 N ASP A 29 -5.008 -9.420 4.497 1.00 0.00 N ATOM 411 CA ASP A 29 -5.068 -10.864 4.677 1.00 0.00 C ATOM 412 C ASP A 29 -6.013 -11.272 5.811 1.00 0.00 C ATOM 413 O ASP A 29 -6.354 -12.449 5.925 1.00 0.00 O ATOM 414 CB ASP A 29 -3.656 -11.386 4.950 1.00 0.00 C ATOM 415 CG ASP A 29 -2.727 -11.142 3.767 1.00 0.00 C ATOM 416 OD1 ASP A 29 -2.827 -11.915 2.787 1.00 0.00 O ATOM 417 OD2 ASP A 29 -1.927 -10.182 3.846 1.00 0.00 O ATOM 0 H ASP A 29 -4.222 -8.975 4.971 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.467 -11.305 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.252 -10.897 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.698 -12.454 5.166 1.00 0.00 H new ATOM 422 N VAL A 30 -6.434 -10.318 6.647 1.00 0.00 N ATOM 423 CA VAL A 30 -7.324 -10.591 7.770 1.00 0.00 C ATOM 424 C VAL A 30 -8.499 -9.610 7.798 1.00 0.00 C ATOM 425 O VAL A 30 -9.512 -9.873 8.442 1.00 0.00 O ATOM 426 CB VAL A 30 -6.510 -10.516 9.072 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.364 -10.871 10.289 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.336 -11.499 9.028 1.00 0.00 C ATOM 0 H VAL A 30 -6.166 -9.338 6.561 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.748 -11.589 7.661 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.152 -9.490 9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.756 -10.807 11.191 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.198 -10.174 10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.748 -11.885 10.181 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.771 -11.432 9.958 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.715 -12.514 8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.685 -11.251 8.189 1.00 0.00 H new ATOM 438 N GLY A 31 -8.375 -8.479 7.099 1.00 0.00 N ATOM 439 CA GLY A 31 -9.405 -7.452 7.050 1.00 0.00 C ATOM 440 C GLY A 31 -8.916 -6.266 6.229 1.00 0.00 C ATOM 441 O GLY A 31 -7.791 -6.289 5.734 1.00 0.00 O ATOM 0 H GLY A 31 -7.547 -8.253 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.316 -7.859 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.656 -7.128 8.060 1.00 0.00 H new ATOM 445 N CYS A 32 -9.743 -5.231 6.073 1.00 0.00 N ATOM 446 CA CYS A 32 -9.355 -4.069 5.290 1.00 0.00 C ATOM 447 C CYS A 32 -8.518 -3.099 6.118 1.00 0.00 C ATOM 448 O CYS A 32 -8.776 -2.893 7.304 1.00 0.00 O ATOM 449 CB CYS A 32 -10.586 -3.396 4.688 1.00 0.00 C ATOM 450 SG CYS A 32 -11.381 -4.409 3.421 1.00 0.00 S ATOM 0 H CYS A 32 -10.678 -5.178 6.477 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.725 -4.402 4.465 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.303 -3.183 5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.297 -2.439 4.254 1.00 0.00 H new ATOM 455 N VAL A 33 -7.510 -2.510 5.474 1.00 0.00 N ATOM 456 CA VAL A 33 -6.551 -1.624 6.122 1.00 0.00 C ATOM 457 C VAL A 33 -6.088 -0.533 5.164 1.00 0.00 C ATOM 458 O VAL A 33 -6.371 -0.587 3.968 1.00 0.00 O ATOM 459 CB VAL A 33 -5.334 -2.424 6.610 1.00 0.00 C ATOM 460 CG1 VAL A 33 -5.724 -3.498 7.624 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.611 -3.105 5.444 1.00 0.00 C ATOM 0 H VAL A 33 -7.337 -2.638 4.477 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.045 -1.158 6.974 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.671 -1.702 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.833 -4.039 7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.192 -3.029 8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.426 -4.194 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.755 -3.663 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.295 -3.788 4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.268 -2.349 4.737 1.00 0.00 H new ATOM 471 N ARG A 34 -5.371 0.457 5.698 1.00 0.00 N ATOM 472 CA ARG A 34 -4.737 1.524 4.931 1.00 0.00 C ATOM 473 C ARG A 34 -3.333 1.719 5.491 1.00 0.00 C ATOM 474 O ARG A 34 -3.141 1.552 6.691 1.00 0.00 O ATOM 475 CB ARG A 34 -5.579 2.804 5.012 1.00 0.00 C ATOM 476 CG ARG A 34 -5.755 3.283 6.456 1.00 0.00 C ATOM 477 CD ARG A 34 -6.646 4.525 6.483 1.00 0.00 C ATOM 478 NE ARG A 34 -6.864 4.991 7.855 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.664 6.012 8.178 1.00 0.00 C ATOM 480 NH1 ARG A 34 -8.328 6.683 7.238 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.804 6.367 9.454 1.00 0.00 N ATOM 0 H ARG A 34 -5.213 0.539 6.702 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.668 1.266 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.103 3.589 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.558 2.623 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.199 2.492 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.783 3.511 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.185 5.319 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.605 4.298 6.016 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.376 4.507 8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.229 6.420 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.935 7.460 7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.301 5.860 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.414 7.146 9.703 1.00 0.00 H new ATOM 495 N CYS A 35 -2.362 2.064 4.645 1.00 0.00 N ATOM 496 CA CYS A 35 -0.962 2.091 5.043 1.00 0.00 C ATOM 497 C CYS A 35 -0.306 3.440 4.745 1.00 0.00 C ATOM 498 O CYS A 35 -0.981 4.396 4.362 1.00 0.00 O ATOM 499 CB CYS A 35 -0.226 0.965 4.326 1.00 0.00 C ATOM 500 SG CYS A 35 -0.870 -0.714 4.571 1.00 0.00 S ATOM 0 H CYS A 35 -2.525 2.330 3.674 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.905 1.947 6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.233 1.180 3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.816 0.980 4.647 1.00 0.00 H new ATOM 505 N SER A 36 1.017 3.515 4.925 1.00 0.00 N ATOM 506 CA SER A 36 1.769 4.756 4.810 1.00 0.00 C ATOM 507 C SER A 36 2.551 4.868 3.497 1.00 0.00 C ATOM 508 O SER A 36 2.654 5.957 2.933 1.00 0.00 O ATOM 509 CB SER A 36 2.728 4.843 5.997 1.00 0.00 C ATOM 510 OG SER A 36 3.321 6.122 6.044 1.00 0.00 O ATOM 0 H SER A 36 1.595 2.707 5.156 1.00 0.00 H new ATOM 0 HA SER A 36 1.058 5.583 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.190 4.648 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.500 4.078 5.909 1.00 0.00 H new ATOM 0 HG SER A 36 3.933 6.171 6.808 1.00 0.00 H new ATOM 516 N ASN A 37 3.102 3.757 3.008 1.00 0.00 N ATOM 517 CA ASN A 37 3.911 3.749 1.795 1.00 0.00 C ATOM 518 C ASN A 37 3.812 2.380 1.112 1.00 0.00 C ATOM 519 O ASN A 37 3.046 1.528 1.558 1.00 0.00 O ATOM 520 CB ASN A 37 5.357 4.104 2.182 1.00 0.00 C ATOM 521 CG ASN A 37 6.200 4.523 0.989 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.686 4.750 -0.100 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.510 4.634 1.188 1.00 0.00 N ATOM 0 H ASN A 37 2.999 2.840 3.443 1.00 0.00 H new ATOM 0 HA ASN A 37 3.551 4.487 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.345 4.912 2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.821 3.244 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.120 4.916 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.905 4.437 2.108 1.00 0.00 H new ATOM 530 N ALA A 38 4.576 2.157 0.036 1.00 0.00 N ATOM 531 CA ALA A 38 4.507 0.913 -0.717 1.00 0.00 C ATOM 532 C ALA A 38 5.811 0.598 -1.448 1.00 0.00 C ATOM 533 O ALA A 38 6.699 1.443 -1.560 1.00 0.00 O ATOM 534 CB ALA A 38 3.389 1.032 -1.745 1.00 0.00 C ATOM 0 H ALA A 38 5.250 2.830 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 38 4.321 0.105 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.323 0.108 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.443 1.211 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.601 1.863 -2.418 1.00 0.00 H new ATOM 540 N GLN A 39 5.910 -0.636 -1.947 1.00 0.00 N ATOM 541 CA GLN A 39 6.997 -1.094 -2.796 1.00 0.00 C ATOM 542 C GLN A 39 6.502 -2.249 -3.668 1.00 0.00 C ATOM 543 O GLN A 39 5.452 -2.831 -3.401 1.00 0.00 O ATOM 544 CB GLN A 39 8.194 -1.535 -1.950 1.00 0.00 C ATOM 545 CG GLN A 39 7.840 -2.707 -1.032 1.00 0.00 C ATOM 546 CD GLN A 39 9.081 -3.250 -0.330 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.483 -4.385 -0.558 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.702 -2.448 0.530 1.00 0.00 N ATOM 0 H GLN A 39 5.214 -1.359 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 39 7.323 -0.273 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.016 -1.822 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.544 -0.695 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.111 -2.384 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.372 -3.500 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.345 -1.508 0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.536 -2.773 1.020 1.00 0.00 H new ATOM 557 N CYS A 40 7.260 -2.584 -4.715 1.00 0.00 N ATOM 558 CA CYS A 40 6.938 -3.708 -5.578 1.00 0.00 C ATOM 559 C CYS A 40 7.739 -4.932 -5.138 1.00 0.00 C ATOM 560 O CYS A 40 8.881 -4.809 -4.694 1.00 0.00 O ATOM 561 CB CYS A 40 7.207 -3.330 -7.035 1.00 0.00 C ATOM 562 SG CYS A 40 6.148 -1.999 -7.664 1.00 0.00 S ATOM 0 H CYS A 40 8.108 -2.083 -4.982 1.00 0.00 H new ATOM 0 HA CYS A 40 5.881 -3.960 -5.497 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.249 -3.027 -7.134 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.071 -4.213 -7.659 1.00 0.00 H new ATOM 567 N THR A 41 7.134 -6.117 -5.258 1.00 0.00 N ATOM 568 CA THR A 41 7.721 -7.370 -4.802 1.00 0.00 C ATOM 569 C THR A 41 7.464 -8.496 -5.802 1.00 0.00 C ATOM 570 O THR A 41 6.853 -8.286 -6.849 1.00 0.00 O ATOM 571 CB THR A 41 7.131 -7.743 -3.439 1.00 0.00 C ATOM 572 OG1 THR A 41 5.734 -7.890 -3.551 1.00 0.00 O ATOM 573 CG2 THR A 41 7.435 -6.672 -2.393 1.00 0.00 C ATOM 0 H THR A 41 6.212 -6.229 -5.680 1.00 0.00 H new ATOM 0 HA THR A 41 8.799 -7.234 -4.715 1.00 0.00 H new ATOM 0 HB THR A 41 7.586 -8.681 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.299 -7.489 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.003 -6.965 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.514 -6.564 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.005 -5.722 -2.709 1.00 0.00 H new ATOM 581 N GLY A 42 7.933 -9.701 -5.470 1.00 0.00 N ATOM 582 CA GLY A 42 7.763 -10.876 -6.314 1.00 0.00 C ATOM 583 C GLY A 42 8.746 -10.872 -7.483 1.00 0.00 C ATOM 584 O GLY A 42 9.484 -9.907 -7.688 1.00 0.00 O ATOM 0 H GLY A 42 8.442 -9.885 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.908 -11.777 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.742 -10.907 -6.695 1.00 0.00 H new ATOM 588 N PHE A 43 8.760 -11.962 -8.257 1.00 0.00 N ATOM 589 CA PHE A 43 9.640 -12.066 -9.409 1.00 0.00 C ATOM 590 C PHE A 43 9.234 -11.030 -10.451 1.00 0.00 C ATOM 591 O PHE A 43 8.050 -10.755 -10.631 1.00 0.00 O ATOM 592 CB PHE A 43 9.593 -13.481 -9.982 1.00 0.00 C ATOM 593 CG PHE A 43 10.577 -13.709 -11.110 1.00 0.00 C ATOM 594 CD1 PHE A 43 10.200 -13.457 -12.436 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.874 -14.166 -10.825 1.00 0.00 C ATOM 596 CE1 PHE A 43 11.114 -13.669 -13.477 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.788 -14.377 -11.867 1.00 0.00 C ATOM 598 CZ PHE A 43 12.407 -14.129 -13.193 1.00 0.00 C ATOM 0 H PHE A 43 8.170 -12.780 -8.101 1.00 0.00 H new ATOM 0 HA PHE A 43 10.668 -11.866 -9.106 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.796 -14.195 -9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.585 -13.685 -10.343 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.205 -13.099 -12.656 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.167 -14.355 -9.803 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.822 -13.478 -14.499 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.785 -14.730 -11.648 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.110 -14.292 -13.996 1.00 0.00 H new ATOM 608 N LEU A 44 10.227 -10.454 -11.140 1.00 0.00 N ATOM 609 CA LEU A 44 10.021 -9.408 -12.137 1.00 0.00 C ATOM 610 C LEU A 44 9.229 -8.213 -11.582 1.00 0.00 C ATOM 611 O LEU A 44 8.790 -7.351 -12.340 1.00 0.00 O ATOM 612 CB LEU A 44 9.407 -10.039 -13.396 1.00 0.00 C ATOM 613 CG LEU A 44 9.487 -9.166 -14.653 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.941 -8.890 -15.026 1.00 0.00 C ATOM 615 CD2 LEU A 44 8.828 -9.909 -15.812 1.00 0.00 C ATOM 0 H LEU A 44 11.207 -10.708 -11.016 1.00 0.00 H new ATOM 0 HA LEU A 44 10.981 -8.974 -12.416 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.911 -10.985 -13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.361 -10.270 -13.197 1.00 0.00 H new ATOM 0 HG LEU A 44 8.981 -8.221 -14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.975 -8.269 -15.921 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.435 -8.371 -14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.452 -9.833 -15.219 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.879 -9.297 -16.712 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.349 -10.851 -15.984 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.785 -10.110 -15.569 1.00 0.00 H new ATOM 627 N GLY A 45 9.042 -8.148 -10.256 1.00 0.00 N ATOM 628 CA GLY A 45 8.346 -7.047 -9.602 1.00 0.00 C ATOM 629 C GLY A 45 6.850 -7.027 -9.903 1.00 0.00 C ATOM 630 O GLY A 45 6.224 -5.978 -9.776 1.00 0.00 O ATOM 0 H GLY A 45 9.373 -8.864 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.494 -7.120 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.788 -6.103 -9.922 1.00 0.00 H new ATOM 634 N THR A 46 6.262 -8.160 -10.297 1.00 0.00 N ATOM 635 CA THR A 46 4.867 -8.227 -10.722 1.00 0.00 C ATOM 636 C THR A 46 3.858 -8.177 -9.572 1.00 0.00 C ATOM 637 O THR A 46 2.671 -8.410 -9.796 1.00 0.00 O ATOM 638 CB THR A 46 4.636 -9.471 -11.582 1.00 0.00 C ATOM 639 OG1 THR A 46 5.032 -10.628 -10.876 1.00 0.00 O ATOM 640 CG2 THR A 46 5.438 -9.373 -12.878 1.00 0.00 C ATOM 0 H THR A 46 6.745 -9.058 -10.329 1.00 0.00 H new ATOM 0 HA THR A 46 4.689 -7.327 -11.310 1.00 0.00 H new ATOM 0 HB THR A 46 3.574 -9.535 -11.819 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.005 -10.728 -10.932 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.265 -10.264 -13.481 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.123 -8.491 -13.435 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.500 -9.294 -12.644 1.00 0.00 H new ATOM 648 N THR A 47 4.299 -7.880 -8.344 1.00 0.00 N ATOM 649 CA THR A 47 3.404 -7.823 -7.193 1.00 0.00 C ATOM 650 C THR A 47 3.557 -6.493 -6.456 1.00 0.00 C ATOM 651 O THR A 47 4.619 -5.875 -6.489 1.00 0.00 O ATOM 652 CB THR A 47 3.680 -9.013 -6.265 1.00 0.00 C ATOM 653 OG1 THR A 47 3.588 -10.220 -6.994 1.00 0.00 O ATOM 654 CG2 THR A 47 2.681 -9.084 -5.115 1.00 0.00 C ATOM 0 H THR A 47 5.274 -7.676 -8.126 1.00 0.00 H new ATOM 0 HA THR A 47 2.372 -7.887 -7.538 1.00 0.00 H new ATOM 0 HB THR A 47 4.681 -8.874 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.767 -10.977 -6.398 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.914 -9.941 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.741 -8.170 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.673 -9.191 -5.515 1.00 0.00 H new ATOM 662 N CYS A 48 2.484 -6.060 -5.790 1.00 0.00 N ATOM 663 CA CYS A 48 2.455 -4.837 -5.000 1.00 0.00 C ATOM 664 C CYS A 48 2.339 -5.170 -3.514 1.00 0.00 C ATOM 665 O CYS A 48 1.598 -6.081 -3.137 1.00 0.00 O ATOM 666 CB CYS A 48 1.281 -3.972 -5.475 1.00 0.00 C ATOM 667 SG CYS A 48 0.911 -2.537 -4.434 1.00 0.00 S ATOM 0 H CYS A 48 1.596 -6.563 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 48 3.382 -4.280 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.493 -3.623 -6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.390 -4.597 -5.534 1.00 0.00 H new ATOM 672 N THR A 49 3.070 -4.433 -2.672 1.00 0.00 N ATOM 673 CA THR A 49 3.075 -4.624 -1.225 1.00 0.00 C ATOM 674 C THR A 49 3.113 -3.268 -0.525 1.00 0.00 C ATOM 675 O THR A 49 3.689 -2.313 -1.044 1.00 0.00 O ATOM 676 CB THR A 49 4.280 -5.485 -0.826 1.00 0.00 C ATOM 677 OG1 THR A 49 4.165 -6.761 -1.415 1.00 0.00 O ATOM 678 CG2 THR A 49 4.368 -5.676 0.689 1.00 0.00 C ATOM 0 H THR A 49 3.681 -3.678 -2.984 1.00 0.00 H new ATOM 0 HA THR A 49 2.165 -5.140 -0.918 1.00 0.00 H new ATOM 0 HB THR A 49 5.175 -4.967 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.743 -7.394 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.235 -6.292 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.468 -4.704 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.464 -6.168 1.047 1.00 0.00 H new ATOM 686 N CYS A 50 2.499 -3.179 0.656 1.00 0.00 N ATOM 687 CA CYS A 50 2.421 -1.940 1.412 1.00 0.00 C ATOM 688 C CYS A 50 3.421 -1.921 2.569 1.00 0.00 C ATOM 689 O CYS A 50 3.958 -2.961 2.952 1.00 0.00 O ATOM 690 CB CYS A 50 0.988 -1.732 1.904 1.00 0.00 C ATOM 691 SG CYS A 50 -0.265 -1.739 0.592 1.00 0.00 S ATOM 0 H CYS A 50 2.042 -3.969 1.111 1.00 0.00 H new ATOM 0 HA CYS A 50 2.691 -1.112 0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.747 -2.514 2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.934 -0.782 2.436 1.00 0.00 H new ATOM 696 N ILE A 51 3.658 -0.727 3.119 1.00 0.00 N ATOM 697 CA ILE A 51 4.624 -0.501 4.189 1.00 0.00 C ATOM 698 C ILE A 51 3.902 -0.083 5.469 1.00 0.00 C ATOM 699 O ILE A 51 2.915 0.650 5.419 1.00 0.00 O ATOM 700 CB ILE A 51 5.620 0.580 3.749 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.357 0.195 2.460 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.630 0.887 4.854 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.194 -1.075 2.603 1.00 0.00 C ATOM 0 H ILE A 51 3.174 0.122 2.826 1.00 0.00 H new ATOM 0 HA ILE A 51 5.168 -1.423 4.393 1.00 0.00 H new ATOM 0 HB ILE A 51 5.035 1.477 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.629 0.055 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.005 1.018 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.322 1.657 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.103 1.241 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.186 -0.017 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.689 -1.293 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.944 -0.931 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.546 -1.909 2.874 1.00 0.00 H new ATOM 715 N ASN A 52 4.402 -0.547 6.615 1.00 0.00 N ATOM 716 CA ASN A 52 3.800 -0.267 7.912 1.00 0.00 C ATOM 717 C ASN A 52 3.987 1.204 8.297 1.00 0.00 C ATOM 718 O ASN A 52 4.911 1.858 7.808 1.00 0.00 O ATOM 719 CB ASN A 52 4.427 -1.188 8.963 1.00 0.00 C ATOM 720 CG ASN A 52 4.114 -2.659 8.716 1.00 0.00 C ATOM 721 OD1 ASN A 52 3.315 -3.002 7.849 1.00 0.00 O ATOM 722 ND2 ASN A 52 4.746 -3.542 9.481 1.00 0.00 N ATOM 0 H ASN A 52 5.238 -1.129 6.666 1.00 0.00 H new ATOM 0 HA ASN A 52 2.728 -0.456 7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.508 -1.046 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.065 -0.904 9.951 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.574 -4.540 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.404 -3.222 10.192 1.00 0.00 H new ATOM 729 N PRO A 53 3.126 1.740 9.172 1.00 0.00 N ATOM 730 CA PRO A 53 1.991 1.065 9.782 1.00 0.00 C ATOM 731 C PRO A 53 0.852 0.877 8.781 1.00 0.00 C ATOM 732 O PRO A 53 0.815 1.528 7.741 1.00 0.00 O ATOM 733 CB PRO A 53 1.561 1.983 10.926 1.00 0.00 C ATOM 734 CG PRO A 53 1.912 3.370 10.392 1.00 0.00 C ATOM 735 CD PRO A 53 3.218 3.111 9.644 1.00 0.00 C ATOM 0 HA PRO A 53 2.253 0.065 10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.497 1.890 11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.095 1.757 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.136 3.760 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.041 4.095 11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.339 3.806 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.079 3.244 10.299 1.00 0.00 H new ATOM 743 N CYS A 54 -0.081 -0.023 9.113 1.00 0.00 N ATOM 744 CA CYS A 54 -1.245 -0.322 8.292 1.00 0.00 C ATOM 745 C CYS A 54 -2.492 -0.468 9.168 1.00 0.00 C ATOM 746 O CYS A 54 -3.017 -1.573 9.306 1.00 0.00 O ATOM 747 CB CYS A 54 -0.994 -1.600 7.495 1.00 0.00 C ATOM 748 SG CYS A 54 0.193 -1.490 6.130 1.00 0.00 S ATOM 0 H CYS A 54 -0.042 -0.569 9.974 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.414 0.500 7.597 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.648 -2.369 8.186 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.947 -1.941 7.090 1.00 0.00 H new ATOM 753 N PRO A 55 -2.976 0.626 9.771 1.00 0.00 N ATOM 754 CA PRO A 55 -4.176 0.623 10.600 1.00 0.00 C ATOM 755 C PRO A 55 -5.416 0.230 9.795 1.00 0.00 C ATOM 756 O PRO A 55 -5.424 0.317 8.566 1.00 0.00 O ATOM 757 CB PRO A 55 -4.290 2.047 11.156 1.00 0.00 C ATOM 758 CG PRO A 55 -3.547 2.888 10.118 1.00 0.00 C ATOM 759 CD PRO A 55 -2.412 1.959 9.697 1.00 0.00 C ATOM 0 HA PRO A 55 -4.108 -0.114 11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.330 2.358 11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.835 2.131 12.143 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.187 3.154 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.173 3.820 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.068 2.187 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.551 2.061 10.358 1.00 0.00 H new ATOM 767 N ARG A 56 -6.468 -0.205 10.493 1.00 0.00 N ATOM 768 CA ARG A 56 -7.684 -0.716 9.861 1.00 0.00 C ATOM 769 C ARG A 56 -8.533 0.402 9.268 1.00 0.00 C ATOM 770 O ARG A 56 -8.407 1.565 9.649 1.00 0.00 O ATOM 771 CB ARG A 56 -8.490 -1.534 10.870 1.00 0.00 C ATOM 772 CG ARG A 56 -7.695 -2.759 11.333 1.00 0.00 C ATOM 773 CD ARG A 56 -8.540 -3.632 12.259 1.00 0.00 C ATOM 774 NE ARG A 56 -8.894 -2.923 13.494 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.724 -3.404 14.425 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.290 -4.598 14.283 1.00 0.00 N ATOM 777 NH2 ARG A 56 -9.996 -2.679 15.506 1.00 0.00 N ATOM 0 H ARG A 56 -6.499 -0.212 11.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.386 -1.361 9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.744 -0.913 11.729 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.430 -1.853 10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.376 -3.340 10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.792 -2.438 11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.449 -3.939 11.742 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.991 -4.541 12.505 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.480 -2.004 13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.093 -5.161 13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.921 -4.952 15.002 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.572 -1.759 15.623 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.629 -3.043 16.218 1.00 0.00 H new ATOM 791 N CYS A 57 -9.409 0.035 8.326 1.00 0.00 N ATOM 792 CA CYS A 57 -10.315 0.960 7.657 1.00 0.00 C ATOM 793 C CYS A 57 -11.608 0.235 7.266 1.00 0.00 C ATOM 794 O CYS A 57 -12.617 0.444 7.972 1.00 0.00 O ATOM 795 CB CYS A 57 -9.610 1.533 6.428 1.00 0.00 C ATOM 796 SG CYS A 57 -10.617 2.680 5.457 1.00 0.00 S ATOM 797 OXT CYS A 57 -11.573 -0.517 6.267 1.00 0.00 O ATOM 0 H CYS A 57 -9.506 -0.929 8.006 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.582 1.777 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.704 2.047 6.750 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.298 0.709 5.786 1.00 0.00 H new