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= 0.714 USER MOD Set 1.2: A 49 THR OG1 : rot -4:sc= 0.389 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0228 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= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 21 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.32) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 26 HIS : no HE2:sc= -0.0487 K(o=-0.049,f=-3.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.91 K(o=0.91,f=-8.4!) USER MOD Single : A 39 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.67) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -12.894 -0.984 0.061 1.00 0.00 N ATOM 29 CA CYS A 3 -11.580 -1.603 0.080 1.00 0.00 C ATOM 30 C CYS A 3 -11.518 -2.757 -0.920 1.00 0.00 C ATOM 31 O CYS A 3 -11.772 -3.910 -0.559 1.00 0.00 O ATOM 32 CB CYS A 3 -11.266 -2.090 1.497 1.00 0.00 C ATOM 33 SG CYS A 3 -12.635 -2.879 2.384 1.00 0.00 S ATOM 0 HA CYS A 3 -10.831 -0.867 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.438 -2.797 1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.920 -1.239 2.084 1.00 0.00 H new ATOM 38 N PRO A 4 -11.181 -2.464 -2.180 1.00 0.00 N ATOM 39 CA PRO A 4 -10.995 -3.452 -3.228 1.00 0.00 C ATOM 40 C PRO A 4 -9.655 -4.171 -3.059 1.00 0.00 C ATOM 41 O PRO A 4 -8.886 -3.856 -2.148 1.00 0.00 O ATOM 42 CB PRO A 4 -11.042 -2.653 -4.527 1.00 0.00 C ATOM 43 CG PRO A 4 -10.435 -1.312 -4.117 1.00 0.00 C ATOM 44 CD PRO A 4 -10.952 -1.124 -2.691 1.00 0.00 C ATOM 0 HA PRO A 4 -11.756 -4.232 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.467 -3.133 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.061 -2.540 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.346 -1.334 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.759 -0.504 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.226 -0.589 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.871 -0.538 -2.681 1.00 0.00 H new ATOM 52 N THR A 5 -9.373 -5.138 -3.938 1.00 0.00 N ATOM 53 CA THR A 5 -8.118 -5.886 -3.915 1.00 0.00 C ATOM 54 C THR A 5 -7.406 -5.758 -5.256 1.00 0.00 C ATOM 55 O THR A 5 -7.972 -6.101 -6.290 1.00 0.00 O ATOM 56 CB THR A 5 -8.403 -7.361 -3.614 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.222 -7.480 -2.472 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.100 -8.117 -3.364 1.00 0.00 C ATOM 0 H THR A 5 -10.009 -5.422 -4.683 1.00 0.00 H new ATOM 0 HA THR A 5 -7.475 -5.477 -3.136 1.00 0.00 H new ATOM 0 HB THR A 5 -8.913 -7.787 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.397 -8.427 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.321 -9.163 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.466 -8.052 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.581 -7.676 -2.513 1.00 0.00 H new ATOM 66 N ARG A 6 -6.162 -5.266 -5.242 1.00 0.00 N ATOM 67 CA ARG A 6 -5.336 -5.137 -6.434 1.00 0.00 C ATOM 68 C ARG A 6 -3.884 -5.436 -6.074 1.00 0.00 C ATOM 69 O ARG A 6 -3.368 -4.886 -5.103 1.00 0.00 O ATOM 70 CB ARG A 6 -5.431 -3.709 -6.982 1.00 0.00 C ATOM 71 CG ARG A 6 -6.827 -3.328 -7.481 1.00 0.00 C ATOM 72 CD ARG A 6 -7.207 -4.140 -8.721 1.00 0.00 C ATOM 73 NE ARG A 6 -8.457 -3.656 -9.312 1.00 0.00 N ATOM 74 CZ ARG A 6 -9.674 -4.125 -9.016 1.00 0.00 C ATOM 75 NH1 ARG A 6 -9.838 -5.090 -8.113 1.00 0.00 N ATOM 76 NH2 ARG A 6 -10.744 -3.623 -9.623 1.00 0.00 N ATOM 0 H ARG A 6 -5.701 -4.945 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.686 -5.839 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.132 -3.010 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.720 -3.596 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.559 -3.500 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.855 -2.264 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.406 -4.079 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.313 -5.191 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.395 -2.906 -10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.028 -5.484 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.774 -5.435 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.637 -2.881 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.673 -3.980 -9.398 1.00 0.00 H new ATOM 90 N ARG A 7 -3.226 -6.303 -6.852 1.00 0.00 N ATOM 91 CA ARG A 7 -1.824 -6.668 -6.644 1.00 0.00 C ATOM 92 C ARG A 7 -1.002 -6.473 -7.915 1.00 0.00 C ATOM 93 O ARG A 7 0.225 -6.460 -7.856 1.00 0.00 O ATOM 94 CB ARG A 7 -1.734 -8.137 -6.214 1.00 0.00 C ATOM 95 CG ARG A 7 -2.394 -8.470 -4.870 1.00 0.00 C ATOM 96 CD ARG A 7 -1.635 -7.904 -3.662 1.00 0.00 C ATOM 97 NE ARG A 7 -1.960 -6.497 -3.423 1.00 0.00 N ATOM 98 CZ ARG A 7 -1.645 -5.827 -2.313 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.965 -6.417 -1.330 1.00 0.00 N ATOM 100 NH2 ARG A 7 -2.015 -4.555 -2.190 1.00 0.00 N ATOM 0 H ARG A 7 -3.656 -6.773 -7.648 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.421 -6.018 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.193 -8.753 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.682 -8.419 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.411 -8.079 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.468 -9.553 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.878 -8.488 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.562 -8.006 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.462 -5.994 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.679 -7.392 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.730 -5.894 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.535 -4.100 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.779 -4.035 -1.345 1.00 0.00 H new ATOM 114 N GLY A 8 -1.668 -6.320 -9.065 1.00 0.00 N ATOM 115 CA GLY A 8 -1.020 -6.195 -10.366 1.00 0.00 C ATOM 116 C GLY A 8 -0.589 -4.765 -10.678 1.00 0.00 C ATOM 117 O GLY A 8 -0.219 -4.462 -11.808 1.00 0.00 O ATOM 0 H GLY A 8 -2.686 -6.280 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.147 -6.847 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.703 -6.541 -11.142 1.00 0.00 H new ATOM 121 N LEU A 9 -0.634 -3.876 -9.683 1.00 0.00 N ATOM 122 CA LEU A 9 -0.336 -2.467 -9.871 1.00 0.00 C ATOM 123 C LEU A 9 1.119 -2.234 -10.271 1.00 0.00 C ATOM 124 O LEU A 9 1.449 -1.164 -10.772 1.00 0.00 O ATOM 125 CB LEU A 9 -0.654 -1.725 -8.570 1.00 0.00 C ATOM 126 CG LEU A 9 -2.128 -1.874 -8.175 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.344 -1.262 -6.798 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.041 -1.160 -9.169 1.00 0.00 C ATOM 0 H LEU A 9 -0.880 -4.121 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.951 -2.088 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.022 -2.109 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.414 -0.668 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.371 -2.936 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.391 -1.366 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.717 -1.776 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.078 -0.205 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.080 -1.283 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.793 -0.099 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.903 -1.587 -10.162 1.00 0.00 H new ATOM 140 N CYS A 10 1.995 -3.218 -10.061 1.00 0.00 N ATOM 141 CA CYS A 10 3.404 -3.102 -10.420 1.00 0.00 C ATOM 142 C CYS A 10 3.705 -3.739 -11.779 1.00 0.00 C ATOM 143 O CYS A 10 4.862 -3.758 -12.200 1.00 0.00 O ATOM 144 CB CYS A 10 4.255 -3.733 -9.315 1.00 0.00 C ATOM 145 SG CYS A 10 4.241 -2.844 -7.737 1.00 0.00 S ATOM 0 H CYS A 10 1.746 -4.113 -9.639 1.00 0.00 H new ATOM 0 HA CYS A 10 3.653 -2.045 -10.513 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.905 -4.751 -9.144 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.285 -3.804 -9.666 1.00 0.00 H new ATOM 150 N VAL A 11 2.685 -4.258 -12.470 1.00 0.00 N ATOM 151 CA VAL A 11 2.882 -4.936 -13.748 1.00 0.00 C ATOM 152 C VAL A 11 2.875 -3.947 -14.913 1.00 0.00 C ATOM 153 O VAL A 11 3.539 -4.188 -15.920 1.00 0.00 O ATOM 154 CB VAL A 11 1.799 -6.003 -13.936 1.00 0.00 C ATOM 155 CG1 VAL A 11 1.986 -6.756 -15.251 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.856 -7.014 -12.797 1.00 0.00 C ATOM 0 H VAL A 11 1.713 -4.219 -12.162 1.00 0.00 H new ATOM 0 HA VAL A 11 3.861 -5.416 -13.737 1.00 0.00 H new ATOM 0 HB VAL A 11 0.836 -5.492 -13.946 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.202 -7.506 -15.355 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.930 -6.054 -16.083 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.960 -7.246 -15.255 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.082 -7.768 -12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.834 -7.495 -12.786 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.693 -6.503 -11.848 1.00 0.00 H new ATOM 166 N THR A 12 2.141 -2.839 -14.791 1.00 0.00 N ATOM 167 CA THR A 12 2.063 -1.853 -15.867 1.00 0.00 C ATOM 168 C THR A 12 1.731 -0.450 -15.352 1.00 0.00 C ATOM 169 O THR A 12 2.101 0.540 -15.980 1.00 0.00 O ATOM 170 CB THR A 12 1.007 -2.313 -16.882 1.00 0.00 C ATOM 171 OG1 THR A 12 0.991 -1.439 -17.991 1.00 0.00 O ATOM 172 CG2 THR A 12 -0.396 -2.356 -16.273 1.00 0.00 C ATOM 0 H THR A 12 1.595 -2.604 -13.962 1.00 0.00 H new ATOM 0 HA THR A 12 3.043 -1.786 -16.340 1.00 0.00 H new ATOM 0 HB THR A 12 1.279 -3.322 -17.192 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.316 -1.740 -18.635 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.110 -2.687 -17.027 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.407 -3.051 -15.433 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.672 -1.361 -15.924 1.00 0.00 H new ATOM 180 N SER A 13 1.039 -0.353 -14.212 1.00 0.00 N ATOM 181 CA SER A 13 0.643 0.930 -13.648 1.00 0.00 C ATOM 182 C SER A 13 1.792 1.596 -12.894 1.00 0.00 C ATOM 183 O SER A 13 1.779 2.808 -12.680 1.00 0.00 O ATOM 184 CB SER A 13 -0.538 0.704 -12.715 1.00 0.00 C ATOM 185 OG SER A 13 -1.649 0.218 -13.440 1.00 0.00 O ATOM 0 H SER A 13 0.742 -1.159 -13.662 1.00 0.00 H new ATOM 0 HA SER A 13 0.363 1.600 -14.461 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.264 -0.007 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.800 1.637 -12.217 1.00 0.00 H new ATOM 0 HG SER A 13 -2.401 0.075 -12.829 1.00 0.00 H new ATOM 191 N GLY A 14 2.783 0.800 -12.496 1.00 0.00 N ATOM 192 CA GLY A 14 4.010 1.273 -11.876 1.00 0.00 C ATOM 193 C GLY A 14 3.870 1.443 -10.365 1.00 0.00 C ATOM 194 O GLY A 14 2.775 1.335 -9.812 1.00 0.00 O ATOM 0 H GLY A 14 2.750 -0.214 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.815 0.569 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.295 2.226 -12.321 1.00 0.00 H new ATOM 198 N LEU A 15 4.991 1.712 -9.692 1.00 0.00 N ATOM 199 CA LEU A 15 5.039 1.837 -8.243 1.00 0.00 C ATOM 200 C LEU A 15 4.136 2.971 -7.757 1.00 0.00 C ATOM 201 O LEU A 15 3.630 2.918 -6.639 1.00 0.00 O ATOM 202 CB LEU A 15 6.494 2.091 -7.839 1.00 0.00 C ATOM 203 CG LEU A 15 6.650 2.372 -6.343 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.166 1.200 -5.492 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.122 2.625 -6.026 1.00 0.00 C ATOM 0 H LEU A 15 5.894 1.849 -10.145 1.00 0.00 H new ATOM 0 HA LEU A 15 4.674 0.920 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.098 1.224 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.882 2.937 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 15 6.043 3.246 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.294 1.440 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.112 1.013 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.746 0.310 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.236 2.825 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.708 1.746 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.475 3.484 -6.596 1.00 0.00 H new ATOM 217 N THR A 16 3.928 3.999 -8.583 1.00 0.00 N ATOM 218 CA THR A 16 3.090 5.127 -8.209 1.00 0.00 C ATOM 219 C THR A 16 1.658 4.672 -7.947 1.00 0.00 C ATOM 220 O THR A 16 0.982 5.230 -7.084 1.00 0.00 O ATOM 221 CB THR A 16 3.127 6.177 -9.324 1.00 0.00 C ATOM 222 OG1 THR A 16 4.472 6.478 -9.642 1.00 0.00 O ATOM 223 CG2 THR A 16 2.428 7.462 -8.886 1.00 0.00 C ATOM 0 H THR A 16 4.332 4.068 -9.517 1.00 0.00 H new ATOM 0 HA THR A 16 3.473 5.567 -7.288 1.00 0.00 H new ATOM 0 HB THR A 16 2.611 5.771 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.497 7.148 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.468 8.192 -9.695 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.388 7.246 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.929 7.867 -8.007 1.00 0.00 H new ATOM 231 N ALA A 17 1.184 3.661 -8.680 1.00 0.00 N ATOM 232 CA ALA A 17 -0.167 3.158 -8.505 1.00 0.00 C ATOM 233 C ALA A 17 -0.237 2.230 -7.296 1.00 0.00 C ATOM 234 O ALA A 17 -1.269 2.157 -6.633 1.00 0.00 O ATOM 235 CB ALA A 17 -0.594 2.437 -9.778 1.00 0.00 C ATOM 0 H ALA A 17 1.723 3.179 -9.400 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.849 3.988 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.608 2.055 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.566 3.132 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.086 1.607 -9.972 1.00 0.00 H new ATOM 241 N CYS A 18 0.858 1.522 -7.004 1.00 0.00 N ATOM 242 CA CYS A 18 0.938 0.655 -5.838 1.00 0.00 C ATOM 243 C CYS A 18 1.011 1.499 -4.567 1.00 0.00 C ATOM 244 O CYS A 18 0.550 1.077 -3.512 1.00 0.00 O ATOM 245 CB CYS A 18 2.162 -0.249 -5.994 1.00 0.00 C ATOM 246 SG CYS A 18 2.524 -1.327 -4.580 1.00 0.00 S ATOM 0 H CYS A 18 1.707 1.537 -7.570 1.00 0.00 H new ATOM 0 HA CYS A 18 0.049 0.030 -5.758 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.021 -0.872 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.033 0.378 -6.183 1.00 0.00 H new ATOM 251 N ARG A 19 1.586 2.706 -4.663 1.00 0.00 N ATOM 252 CA ARG A 19 1.698 3.610 -3.526 1.00 0.00 C ATOM 253 C ARG A 19 0.381 4.332 -3.273 1.00 0.00 C ATOM 254 O ARG A 19 0.042 4.617 -2.126 1.00 0.00 O ATOM 255 CB ARG A 19 2.825 4.604 -3.807 1.00 0.00 C ATOM 256 CG ARG A 19 3.325 5.241 -2.509 1.00 0.00 C ATOM 257 CD ARG A 19 4.499 6.168 -2.813 1.00 0.00 C ATOM 258 NE ARG A 19 5.137 6.645 -1.581 1.00 0.00 N ATOM 259 CZ ARG A 19 6.227 7.419 -1.559 1.00 0.00 C ATOM 260 NH1 ARG A 19 6.792 7.834 -2.690 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.756 7.782 -0.394 1.00 0.00 N ATOM 0 H ARG A 19 1.982 3.075 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 19 1.929 3.041 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.648 4.095 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.470 5.380 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.520 5.801 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.633 4.466 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.232 5.641 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.150 7.020 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 19 4.725 6.370 -0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.394 7.562 -3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.623 8.424 -2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.330 7.470 0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.588 8.372 -0.373 1.00 0.00 H new ATOM 275 N ASN A 20 -0.367 4.624 -4.341 1.00 0.00 N ATOM 276 CA ASN A 20 -1.674 5.255 -4.224 1.00 0.00 C ATOM 277 C ASN A 20 -2.715 4.256 -3.712 1.00 0.00 C ATOM 278 O ASN A 20 -3.735 4.657 -3.153 1.00 0.00 O ATOM 279 CB ASN A 20 -2.085 5.818 -5.585 1.00 0.00 C ATOM 280 CG ASN A 20 -1.197 6.974 -6.032 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.404 7.503 -5.260 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.332 7.374 -7.291 1.00 0.00 N ATOM 0 H ASN A 20 -0.082 4.430 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.616 6.070 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.044 5.024 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.120 6.157 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.766 8.145 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.002 6.910 -7.904 1.00 0.00 H new ATOM 289 N HIS A 21 -2.463 2.955 -3.896 1.00 0.00 N ATOM 290 CA HIS A 21 -3.341 1.904 -3.408 1.00 0.00 C ATOM 291 C HIS A 21 -3.060 1.604 -1.938 1.00 0.00 C ATOM 292 O HIS A 21 -3.969 1.250 -1.189 1.00 0.00 O ATOM 293 CB HIS A 21 -3.111 0.664 -4.267 1.00 0.00 C ATOM 294 CG HIS A 21 -3.939 -0.521 -3.852 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.279 -0.713 -4.098 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.489 -1.617 -3.164 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.624 -1.901 -3.572 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.567 -2.496 -2.992 1.00 0.00 N ATOM 0 H HIS A 21 -1.641 2.608 -4.390 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.381 2.221 -3.479 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.334 0.906 -5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.056 0.393 -4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.479 -1.776 -2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.618 -2.322 -3.610 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.553 -3.402 -2.523 1.00 0.00 H new ATOM 306 N CYS A 22 -1.801 1.745 -1.518 1.00 0.00 N ATOM 307 CA CYS A 22 -1.420 1.546 -0.127 1.00 0.00 C ATOM 308 C CYS A 22 -1.738 2.776 0.720 1.00 0.00 C ATOM 309 O CYS A 22 -1.929 2.646 1.926 1.00 0.00 O ATOM 310 CB CYS A 22 0.065 1.204 -0.064 1.00 0.00 C ATOM 311 SG CYS A 22 0.471 -0.418 -0.759 1.00 0.00 S ATOM 0 H CYS A 22 -1.026 1.998 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.999 0.720 0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.628 1.969 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.392 1.236 0.975 1.00 0.00 H new ATOM 316 N ARG A 23 -1.801 3.961 0.110 1.00 0.00 N ATOM 317 CA ARG A 23 -2.200 5.186 0.800 1.00 0.00 C ATOM 318 C ARG A 23 -3.721 5.348 0.797 1.00 0.00 C ATOM 319 O ARG A 23 -4.239 6.397 1.174 1.00 0.00 O ATOM 320 CB ARG A 23 -1.486 6.397 0.194 1.00 0.00 C ATOM 321 CG ARG A 23 -0.016 6.399 0.621 1.00 0.00 C ATOM 322 CD ARG A 23 0.688 7.634 0.062 1.00 0.00 C ATOM 323 NE ARG A 23 2.030 7.773 0.636 1.00 0.00 N ATOM 324 CZ ARG A 23 2.837 8.812 0.406 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.460 9.803 -0.396 1.00 0.00 N ATOM 326 NH2 ARG A 23 4.030 8.863 0.986 1.00 0.00 N ATOM 0 H ARG A 23 -1.577 4.097 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.894 5.115 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.558 6.367 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.970 7.317 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.055 6.390 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.477 5.495 0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.758 7.558 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.099 8.525 0.282 1.00 0.00 H new ATOM 0 HE ARG A 23 2.368 7.031 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.544 9.776 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.086 10.590 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.328 8.110 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.648 9.655 0.812 1.00 0.00 H new ATOM 340 N SER A 24 -4.431 4.305 0.367 1.00 0.00 N ATOM 341 CA SER A 24 -5.884 4.255 0.365 1.00 0.00 C ATOM 342 C SER A 24 -6.316 2.939 0.999 1.00 0.00 C ATOM 343 O SER A 24 -5.485 2.067 1.239 1.00 0.00 O ATOM 344 CB SER A 24 -6.399 4.388 -1.066 1.00 0.00 C ATOM 345 OG SER A 24 -7.806 4.479 -1.057 1.00 0.00 O ATOM 0 H SER A 24 -3.998 3.456 0.004 1.00 0.00 H new ATOM 0 HA SER A 24 -6.304 5.079 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.971 5.273 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.084 3.528 -1.658 1.00 0.00 H new ATOM 0 HG SER A 24 -8.134 4.566 -1.976 1.00 0.00 H new ATOM 351 N CYS A 25 -7.610 2.785 1.273 1.00 0.00 N ATOM 352 CA CYS A 25 -8.093 1.589 1.936 1.00 0.00 C ATOM 353 C CYS A 25 -8.186 0.434 0.946 1.00 0.00 C ATOM 354 O CYS A 25 -8.717 0.587 -0.153 1.00 0.00 O ATOM 355 CB CYS A 25 -9.420 1.877 2.635 1.00 0.00 C ATOM 356 SG CYS A 25 -9.328 3.295 3.758 1.00 0.00 S ATOM 0 H CYS A 25 -8.332 3.469 1.046 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.384 1.286 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.188 2.063 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.729 0.995 3.196 1.00 0.00 H new ATOM 361 N HIS A 26 -7.665 -0.729 1.341 1.00 0.00 N ATOM 362 CA HIS A 26 -7.618 -1.917 0.501 1.00 0.00 C ATOM 363 C HIS A 26 -7.811 -3.163 1.360 1.00 0.00 C ATOM 364 O HIS A 26 -7.806 -3.088 2.587 1.00 0.00 O ATOM 365 CB HIS A 26 -6.269 -1.950 -0.220 1.00 0.00 C ATOM 366 CG HIS A 26 -5.119 -1.776 0.733 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.393 -0.615 0.925 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.614 -2.729 1.571 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.470 -0.857 1.875 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.591 -2.135 2.281 1.00 0.00 N ATOM 0 H HIS A 26 -7.260 -0.869 2.266 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.418 -1.892 -0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.163 -2.898 -0.748 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.240 -1.161 -0.972 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.532 0.268 0.434 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.951 -3.751 1.661 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.751 -0.143 2.250 1.00 0.00 H new ATOM 379 N ARG A 27 -7.985 -4.316 0.712 1.00 0.00 N ATOM 380 CA ARG A 27 -8.229 -5.569 1.411 1.00 0.00 C ATOM 381 C ARG A 27 -6.951 -6.095 2.063 1.00 0.00 C ATOM 382 O ARG A 27 -5.874 -6.014 1.477 1.00 0.00 O ATOM 383 CB ARG A 27 -8.800 -6.581 0.413 1.00 0.00 C ATOM 384 CG ARG A 27 -9.467 -7.773 1.103 1.00 0.00 C ATOM 385 CD ARG A 27 -10.634 -7.332 1.990 1.00 0.00 C ATOM 386 NE ARG A 27 -11.595 -6.510 1.239 1.00 0.00 N ATOM 387 CZ ARG A 27 -12.922 -6.582 1.353 1.00 0.00 C ATOM 388 NH1 ARG A 27 -13.495 -7.445 2.189 1.00 0.00 N ATOM 389 NH2 ARG A 27 -13.684 -5.781 0.617 1.00 0.00 N ATOM 0 H ARG A 27 -7.960 -4.403 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.948 -5.405 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.527 -6.083 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.999 -6.941 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.827 -8.475 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.731 -8.303 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.140 -8.210 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.254 -6.765 2.840 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.217 -5.831 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.918 -8.066 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.512 -7.486 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.253 -5.119 -0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.700 -5.828 0.697 1.00 0.00 H new ATOM 403 N GLY A 28 -7.083 -6.634 3.277 1.00 0.00 N ATOM 404 CA GLY A 28 -5.984 -7.223 4.022 1.00 0.00 C ATOM 405 C GLY A 28 -6.216 -8.714 4.255 1.00 0.00 C ATOM 406 O GLY A 28 -7.126 -9.304 3.678 1.00 0.00 O ATOM 0 H GLY A 28 -7.974 -6.671 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.051 -7.078 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.876 -6.714 4.980 1.00 0.00 H new ATOM 410 N ASP A 29 -5.388 -9.327 5.110 1.00 0.00 N ATOM 411 CA ASP A 29 -5.461 -10.756 5.383 1.00 0.00 C ATOM 412 C ASP A 29 -6.461 -11.100 6.488 1.00 0.00 C ATOM 413 O ASP A 29 -6.799 -12.269 6.666 1.00 0.00 O ATOM 414 CB ASP A 29 -4.069 -11.256 5.761 1.00 0.00 C ATOM 415 CG ASP A 29 -3.082 -11.098 4.607 1.00 0.00 C ATOM 416 OD1 ASP A 29 -3.176 -11.905 3.656 1.00 0.00 O ATOM 417 OD2 ASP A 29 -2.246 -10.170 4.684 1.00 0.00 O ATOM 0 H ASP A 29 -4.654 -8.843 5.627 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.817 -11.251 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.707 -10.704 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.125 -12.305 6.051 1.00 0.00 H new ATOM 422 N VAL A 30 -6.938 -10.098 7.229 1.00 0.00 N ATOM 423 CA VAL A 30 -7.891 -10.302 8.316 1.00 0.00 C ATOM 424 C VAL A 30 -9.014 -9.260 8.293 1.00 0.00 C ATOM 425 O VAL A 30 -10.010 -9.395 9.004 1.00 0.00 O ATOM 426 CB VAL A 30 -7.119 -10.292 9.641 1.00 0.00 C ATOM 427 CG1 VAL A 30 -6.533 -8.911 9.928 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.004 -10.715 10.814 1.00 0.00 C ATOM 0 H VAL A 30 -6.673 -9.123 7.090 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.385 -11.266 8.194 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.308 -11.013 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.991 -8.935 10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.850 -8.632 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.339 -8.180 9.990 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.421 -10.695 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.845 -10.027 10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.378 -11.725 10.642 1.00 0.00 H new ATOM 438 N GLY A 31 -8.863 -8.216 7.473 1.00 0.00 N ATOM 439 CA GLY A 31 -9.832 -7.138 7.368 1.00 0.00 C ATOM 440 C GLY A 31 -9.285 -6.039 6.468 1.00 0.00 C ATOM 441 O GLY A 31 -8.165 -6.150 5.967 1.00 0.00 O ATOM 0 H GLY A 31 -8.055 -8.101 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.770 -7.518 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.051 -6.736 8.357 1.00 0.00 H new ATOM 445 N CYS A 32 -10.063 -4.977 6.250 1.00 0.00 N ATOM 446 CA CYS A 32 -9.613 -3.883 5.405 1.00 0.00 C ATOM 447 C CYS A 32 -8.710 -2.933 6.182 1.00 0.00 C ATOM 448 O CYS A 32 -8.948 -2.643 7.354 1.00 0.00 O ATOM 449 CB CYS A 32 -10.809 -3.168 4.784 1.00 0.00 C ATOM 450 SG CYS A 32 -11.684 -4.207 3.591 1.00 0.00 S ATOM 0 H CYS A 32 -10.996 -4.857 6.644 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.015 -4.288 4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.498 -2.864 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.469 -2.258 4.290 1.00 0.00 H new ATOM 455 N VAL A 33 -7.659 -2.450 5.507 1.00 0.00 N ATOM 456 CA VAL A 33 -6.642 -1.606 6.114 1.00 0.00 C ATOM 457 C VAL A 33 -6.135 -0.558 5.125 1.00 0.00 C ATOM 458 O VAL A 33 -6.412 -0.624 3.930 1.00 0.00 O ATOM 459 CB VAL A 33 -5.462 -2.459 6.608 1.00 0.00 C ATOM 460 CG1 VAL A 33 -5.890 -3.462 7.681 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.819 -3.230 5.454 1.00 0.00 C ATOM 0 H VAL A 33 -7.497 -2.640 4.518 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.098 -1.094 6.961 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.741 -1.764 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.025 -4.043 8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.304 -2.926 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.646 -4.132 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.987 -3.825 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.559 -3.889 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.452 -2.527 4.707 1.00 0.00 H new ATOM 471 N ARG A 34 -5.379 0.410 5.646 1.00 0.00 N ATOM 472 CA ARG A 34 -4.727 1.459 4.877 1.00 0.00 C ATOM 473 C ARG A 34 -3.327 1.653 5.451 1.00 0.00 C ATOM 474 O ARG A 34 -3.135 1.454 6.646 1.00 0.00 O ATOM 475 CB ARG A 34 -5.559 2.746 4.938 1.00 0.00 C ATOM 476 CG ARG A 34 -5.828 3.181 6.383 1.00 0.00 C ATOM 477 CD ARG A 34 -6.697 4.440 6.400 1.00 0.00 C ATOM 478 NE ARG A 34 -7.122 4.758 7.766 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.768 5.875 8.112 1.00 0.00 C ATOM 480 NH1 ARG A 34 -8.075 6.796 7.201 1.00 0.00 N ATOM 481 NH2 ARG A 34 -8.112 6.075 9.382 1.00 0.00 N ATOM 0 H ARG A 34 -5.201 0.483 6.648 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.646 1.186 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.035 3.543 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.507 2.591 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.327 2.378 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.885 3.374 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.139 5.278 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.572 4.293 5.767 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.911 4.082 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.817 6.653 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.568 7.644 7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.882 5.376 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.605 6.927 9.649 1.00 0.00 H new ATOM 495 N CYS A 35 -2.356 2.035 4.620 1.00 0.00 N ATOM 496 CA CYS A 35 -0.952 2.091 5.026 1.00 0.00 C ATOM 497 C CYS A 35 -0.316 3.446 4.699 1.00 0.00 C ATOM 498 O CYS A 35 -1.007 4.384 4.305 1.00 0.00 O ATOM 499 CB CYS A 35 -0.197 0.963 4.324 1.00 0.00 C ATOM 500 SG CYS A 35 -0.825 -0.719 4.585 1.00 0.00 S ATOM 0 H CYS A 35 -2.520 2.313 3.652 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.894 1.968 6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.200 1.166 3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.842 0.993 4.651 1.00 0.00 H new ATOM 505 N SER A 36 1.008 3.549 4.870 1.00 0.00 N ATOM 506 CA SER A 36 1.743 4.801 4.702 1.00 0.00 C ATOM 507 C SER A 36 2.517 4.869 3.385 1.00 0.00 C ATOM 508 O SER A 36 2.564 5.923 2.756 1.00 0.00 O ATOM 509 CB SER A 36 2.709 4.945 5.877 1.00 0.00 C ATOM 510 OG SER A 36 3.283 6.234 5.873 1.00 0.00 O ATOM 0 H SER A 36 1.599 2.760 5.130 1.00 0.00 H new ATOM 0 HA SER A 36 1.021 5.617 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.181 4.776 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.491 4.189 5.810 1.00 0.00 H new ATOM 0 HG SER A 36 3.900 6.320 6.630 1.00 0.00 H new ATOM 516 N ASN A 37 3.127 3.757 2.964 1.00 0.00 N ATOM 517 CA ASN A 37 3.966 3.699 1.772 1.00 0.00 C ATOM 518 C ASN A 37 3.841 2.333 1.098 1.00 0.00 C ATOM 519 O ASN A 37 3.038 1.503 1.526 1.00 0.00 O ATOM 520 CB ASN A 37 5.423 3.982 2.170 1.00 0.00 C ATOM 521 CG ASN A 37 5.724 5.470 2.263 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.131 6.283 1.559 1.00 0.00 O ATOM 523 ND2 ASN A 37 6.654 5.835 3.139 1.00 0.00 N ATOM 0 H ASN A 37 3.049 2.864 3.450 1.00 0.00 H new ATOM 0 HA ASN A 37 3.638 4.453 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.631 3.512 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.091 3.525 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.897 6.820 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.125 5.130 3.706 1.00 0.00 H new ATOM 530 N ALA A 38 4.626 2.096 0.041 1.00 0.00 N ATOM 531 CA ALA A 38 4.544 0.864 -0.721 1.00 0.00 C ATOM 532 C ALA A 38 5.843 0.547 -1.456 1.00 0.00 C ATOM 533 O ALA A 38 6.734 1.390 -1.554 1.00 0.00 O ATOM 534 CB ALA A 38 3.426 1.002 -1.746 1.00 0.00 C ATOM 0 H ALA A 38 5.328 2.753 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 38 4.351 0.051 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.351 0.084 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.482 1.185 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.644 1.837 -2.412 1.00 0.00 H new ATOM 540 N GLN A 39 5.929 -0.680 -1.971 1.00 0.00 N ATOM 541 CA GLN A 39 7.011 -1.135 -2.829 1.00 0.00 C ATOM 542 C GLN A 39 6.510 -2.269 -3.727 1.00 0.00 C ATOM 543 O GLN A 39 5.447 -2.840 -3.480 1.00 0.00 O ATOM 544 CB GLN A 39 8.209 -1.600 -1.988 1.00 0.00 C ATOM 545 CG GLN A 39 7.844 -2.785 -1.090 1.00 0.00 C ATOM 546 CD GLN A 39 9.080 -3.355 -0.403 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.470 -4.491 -0.663 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.706 -2.582 0.478 1.00 0.00 N ATOM 0 H GLN A 39 5.228 -1.399 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 39 7.342 -0.306 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.029 -1.882 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.565 -0.773 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.121 -2.467 -0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.364 -3.562 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.357 -1.643 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.536 -2.927 0.961 1.00 0.00 H new ATOM 557 N CYS A 40 7.278 -2.597 -4.770 1.00 0.00 N ATOM 558 CA CYS A 40 6.940 -3.698 -5.660 1.00 0.00 C ATOM 559 C CYS A 40 7.749 -4.933 -5.273 1.00 0.00 C ATOM 560 O CYS A 40 8.914 -4.823 -4.889 1.00 0.00 O ATOM 561 CB CYS A 40 7.176 -3.282 -7.112 1.00 0.00 C ATOM 562 SG CYS A 40 6.076 -1.959 -7.694 1.00 0.00 S ATOM 0 H CYS A 40 8.140 -2.110 -5.015 1.00 0.00 H new ATOM 0 HA CYS A 40 5.884 -3.951 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.210 -2.954 -7.221 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.049 -4.154 -7.754 1.00 0.00 H new ATOM 567 N THR A 41 7.131 -6.112 -5.376 1.00 0.00 N ATOM 568 CA THR A 41 7.723 -7.376 -4.950 1.00 0.00 C ATOM 569 C THR A 41 7.428 -8.483 -5.957 1.00 0.00 C ATOM 570 O THR A 41 6.819 -8.243 -6.999 1.00 0.00 O ATOM 571 CB THR A 41 7.173 -7.761 -3.574 1.00 0.00 C ATOM 572 OG1 THR A 41 5.771 -7.906 -3.648 1.00 0.00 O ATOM 573 CG2 THR A 41 7.511 -6.703 -2.524 1.00 0.00 C ATOM 0 H THR A 41 6.193 -6.214 -5.763 1.00 0.00 H new ATOM 0 HA THR A 41 8.804 -7.251 -4.890 1.00 0.00 H new ATOM 0 HB THR A 41 7.635 -8.703 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.356 -7.479 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.106 -7.006 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.593 -6.599 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.075 -5.748 -2.816 1.00 0.00 H new ATOM 581 N GLY A 42 7.862 -9.707 -5.639 1.00 0.00 N ATOM 582 CA GLY A 42 7.655 -10.870 -6.488 1.00 0.00 C ATOM 583 C GLY A 42 8.929 -11.257 -7.228 1.00 0.00 C ATOM 584 O GLY A 42 9.959 -10.596 -7.102 1.00 0.00 O ATOM 0 H GLY A 42 8.369 -9.913 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.317 -11.709 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.865 -10.659 -7.208 1.00 0.00 H new ATOM 588 N PHE A 43 8.857 -12.338 -8.008 1.00 0.00 N ATOM 589 CA PHE A 43 9.994 -12.855 -8.759 1.00 0.00 C ATOM 590 C PHE A 43 10.436 -11.893 -9.862 1.00 0.00 C ATOM 591 O PHE A 43 11.572 -11.971 -10.331 1.00 0.00 O ATOM 592 CB PHE A 43 9.590 -14.203 -9.364 1.00 0.00 C ATOM 593 CG PHE A 43 10.552 -14.718 -10.409 1.00 0.00 C ATOM 594 CD1 PHE A 43 11.795 -15.255 -10.035 1.00 0.00 C ATOM 595 CD2 PHE A 43 10.205 -14.646 -11.769 1.00 0.00 C ATOM 596 CE1 PHE A 43 12.684 -15.706 -11.019 1.00 0.00 C ATOM 597 CE2 PHE A 43 11.097 -15.095 -12.749 1.00 0.00 C ATOM 598 CZ PHE A 43 12.339 -15.623 -12.376 1.00 0.00 C ATOM 0 H PHE A 43 8.002 -12.879 -8.134 1.00 0.00 H new ATOM 0 HA PHE A 43 10.842 -12.972 -8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.509 -14.939 -8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.600 -14.108 -9.811 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.065 -15.320 -8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.246 -14.243 -12.059 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.639 -16.120 -10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.828 -15.034 -13.793 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.030 -15.966 -13.132 1.00 0.00 H new ATOM 608 N LEU A 44 9.551 -10.983 -10.282 1.00 0.00 N ATOM 609 CA LEU A 44 9.842 -10.065 -11.375 1.00 0.00 C ATOM 610 C LEU A 44 9.268 -8.674 -11.101 1.00 0.00 C ATOM 611 O LEU A 44 9.107 -7.871 -12.017 1.00 0.00 O ATOM 612 CB LEU A 44 9.325 -10.685 -12.679 1.00 0.00 C ATOM 613 CG LEU A 44 9.934 -10.087 -13.952 1.00 0.00 C ATOM 614 CD1 LEU A 44 11.452 -10.264 -13.986 1.00 0.00 C ATOM 615 CD2 LEU A 44 9.341 -10.808 -15.159 1.00 0.00 C ATOM 0 H LEU A 44 8.623 -10.867 -9.875 1.00 0.00 H new ATOM 0 HA LEU A 44 10.918 -9.918 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.528 -11.756 -12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.242 -10.566 -12.719 1.00 0.00 H new ATOM 0 HG LEU A 44 9.708 -9.021 -13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.849 -9.828 -14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.896 -9.764 -13.125 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.695 -11.326 -13.955 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.764 -10.394 -16.074 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.575 -11.871 -15.099 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.259 -10.675 -15.167 1.00 0.00 H new ATOM 627 N GLY A 45 8.951 -8.382 -9.833 1.00 0.00 N ATOM 628 CA GLY A 45 8.389 -7.095 -9.451 1.00 0.00 C ATOM 629 C GLY A 45 6.924 -6.960 -9.866 1.00 0.00 C ATOM 630 O GLY A 45 6.386 -5.857 -9.865 1.00 0.00 O ATOM 0 H GLY A 45 9.078 -9.029 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.472 -6.970 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.970 -6.296 -9.910 1.00 0.00 H new ATOM 634 N THR A 46 6.279 -8.072 -10.221 1.00 0.00 N ATOM 635 CA THR A 46 4.911 -8.095 -10.725 1.00 0.00 C ATOM 636 C THR A 46 3.862 -8.078 -9.613 1.00 0.00 C ATOM 637 O THR A 46 2.680 -8.290 -9.887 1.00 0.00 O ATOM 638 CB THR A 46 4.718 -9.305 -11.640 1.00 0.00 C ATOM 639 OG1 THR A 46 5.170 -10.475 -10.987 1.00 0.00 O ATOM 640 CG2 THR A 46 5.507 -9.111 -12.933 1.00 0.00 C ATOM 0 H THR A 46 6.703 -8.998 -10.164 1.00 0.00 H new ATOM 0 HA THR A 46 4.760 -7.178 -11.295 1.00 0.00 H new ATOM 0 HB THR A 46 3.658 -9.405 -11.875 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.043 -11.248 -11.576 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.365 -9.977 -13.580 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.154 -8.215 -13.444 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.566 -9.002 -12.700 1.00 0.00 H new ATOM 648 N THR A 47 4.266 -7.832 -8.362 1.00 0.00 N ATOM 649 CA THR A 47 3.349 -7.800 -7.229 1.00 0.00 C ATOM 650 C THR A 47 3.492 -6.484 -6.468 1.00 0.00 C ATOM 651 O THR A 47 4.562 -5.879 -6.472 1.00 0.00 O ATOM 652 CB THR A 47 3.611 -9.004 -6.316 1.00 0.00 C ATOM 653 OG1 THR A 47 3.494 -10.197 -7.063 1.00 0.00 O ATOM 654 CG2 THR A 47 2.617 -9.073 -5.159 1.00 0.00 C ATOM 0 H THR A 47 5.238 -7.650 -8.112 1.00 0.00 H new ATOM 0 HA THR A 47 2.323 -7.863 -7.592 1.00 0.00 H new ATOM 0 HB THR A 47 4.615 -8.888 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.663 -10.966 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.840 -9.941 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.695 -8.167 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.605 -9.160 -5.554 1.00 0.00 H new ATOM 662 N CYS A 48 2.415 -6.039 -5.817 1.00 0.00 N ATOM 663 CA CYS A 48 2.403 -4.819 -5.024 1.00 0.00 C ATOM 664 C CYS A 48 2.326 -5.169 -3.538 1.00 0.00 C ATOM 665 O CYS A 48 1.604 -6.088 -3.151 1.00 0.00 O ATOM 666 CB CYS A 48 1.220 -3.948 -5.458 1.00 0.00 C ATOM 667 SG CYS A 48 0.878 -2.510 -4.404 1.00 0.00 S ATOM 0 H CYS A 48 1.519 -6.525 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 48 3.322 -4.256 -5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.404 -3.597 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.326 -4.571 -5.493 1.00 0.00 H new ATOM 672 N THR A 49 3.067 -4.430 -2.711 1.00 0.00 N ATOM 673 CA THR A 49 3.097 -4.631 -1.268 1.00 0.00 C ATOM 674 C THR A 49 3.146 -3.283 -0.552 1.00 0.00 C ATOM 675 O THR A 49 3.728 -2.328 -1.064 1.00 0.00 O ATOM 676 CB THR A 49 4.309 -5.494 -0.899 1.00 0.00 C ATOM 677 OG1 THR A 49 4.190 -6.761 -1.509 1.00 0.00 O ATOM 678 CG2 THR A 49 4.426 -5.709 0.610 1.00 0.00 C ATOM 0 H THR A 49 3.667 -3.669 -3.030 1.00 0.00 H new ATOM 0 HA THR A 49 2.191 -5.148 -0.951 1.00 0.00 H new ATOM 0 HB THR A 49 5.196 -4.966 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.332 -6.819 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.299 -6.326 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.533 -4.745 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.530 -6.209 0.977 1.00 0.00 H new ATOM 686 N CYS A 50 2.532 -3.198 0.632 1.00 0.00 N ATOM 687 CA CYS A 50 2.455 -1.957 1.389 1.00 0.00 C ATOM 688 C CYS A 50 3.469 -1.921 2.530 1.00 0.00 C ATOM 689 O CYS A 50 4.049 -2.943 2.893 1.00 0.00 O ATOM 690 CB CYS A 50 1.027 -1.761 1.898 1.00 0.00 C ATOM 691 SG CYS A 50 -0.244 -1.756 0.602 1.00 0.00 S ATOM 0 H CYS A 50 2.077 -3.989 1.087 1.00 0.00 H new ATOM 0 HA CYS A 50 2.711 -1.130 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.797 -2.553 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.976 -0.818 2.442 1.00 0.00 H new ATOM 696 N ILE A 51 3.680 -0.729 3.096 1.00 0.00 N ATOM 697 CA ILE A 51 4.649 -0.486 4.159 1.00 0.00 C ATOM 698 C ILE A 51 3.942 -0.031 5.434 1.00 0.00 C ATOM 699 O ILE A 51 2.968 0.714 5.371 1.00 0.00 O ATOM 700 CB ILE A 51 5.649 0.574 3.680 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.399 0.120 2.421 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.636 0.939 4.789 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.269 -1.117 2.647 1.00 0.00 C ATOM 0 H ILE A 51 3.169 0.109 2.819 1.00 0.00 H new ATOM 0 HA ILE A 51 5.182 -1.408 4.390 1.00 0.00 H new ATOM 0 HB ILE A 51 5.075 1.464 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.676 -0.092 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.027 0.937 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.333 1.692 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.091 1.336 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.189 0.050 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.771 -1.384 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.014 -0.903 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.643 -1.948 2.973 1.00 0.00 H new ATOM 715 N ASN A 52 4.436 -0.484 6.588 1.00 0.00 N ATOM 716 CA ASN A 52 3.848 -0.160 7.883 1.00 0.00 C ATOM 717 C ASN A 52 4.022 1.325 8.215 1.00 0.00 C ATOM 718 O ASN A 52 4.930 1.974 7.696 1.00 0.00 O ATOM 719 CB ASN A 52 4.503 -1.043 8.952 1.00 0.00 C ATOM 720 CG ASN A 52 4.210 -2.524 8.750 1.00 0.00 C ATOM 721 OD1 ASN A 52 3.402 -2.905 7.909 1.00 0.00 O ATOM 722 ND2 ASN A 52 4.874 -3.373 9.527 1.00 0.00 N ATOM 0 H ASN A 52 5.257 -1.087 6.648 1.00 0.00 H new ATOM 0 HA ASN A 52 2.776 -0.355 7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.581 -0.885 8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.149 -0.738 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.719 -4.377 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.539 -3.021 10.216 1.00 0.00 H new ATOM 729 N PRO A 53 3.165 1.880 9.081 1.00 0.00 N ATOM 730 CA PRO A 53 2.039 1.217 9.724 1.00 0.00 C ATOM 731 C PRO A 53 0.898 0.980 8.739 1.00 0.00 C ATOM 732 O PRO A 53 0.848 1.599 7.678 1.00 0.00 O ATOM 733 CB PRO A 53 1.612 2.167 10.844 1.00 0.00 C ATOM 734 CG PRO A 53 1.951 3.540 10.268 1.00 0.00 C ATOM 735 CD PRO A 53 3.248 3.264 9.507 1.00 0.00 C ATOM 0 HA PRO A 53 2.310 0.232 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.550 2.074 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.154 1.971 11.769 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.165 3.910 9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.090 4.286 11.050 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.350 3.932 8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.118 3.426 10.144 1.00 0.00 H new ATOM 743 N CYS A 54 -0.018 0.079 9.098 1.00 0.00 N ATOM 744 CA CYS A 54 -1.181 -0.261 8.290 1.00 0.00 C ATOM 745 C CYS A 54 -2.430 -0.386 9.172 1.00 0.00 C ATOM 746 O CYS A 54 -2.947 -1.491 9.346 1.00 0.00 O ATOM 747 CB CYS A 54 -0.916 -1.561 7.531 1.00 0.00 C ATOM 748 SG CYS A 54 0.256 -1.465 6.154 1.00 0.00 S ATOM 0 H CYS A 54 0.032 -0.441 9.974 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.361 0.536 7.568 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.549 -2.302 8.241 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.866 -1.931 7.146 1.00 0.00 H new ATOM 753 N PRO A 55 -2.923 0.728 9.732 1.00 0.00 N ATOM 754 CA PRO A 55 -4.128 0.757 10.548 1.00 0.00 C ATOM 755 C PRO A 55 -5.359 0.365 9.730 1.00 0.00 C ATOM 756 O PRO A 55 -5.321 0.352 8.500 1.00 0.00 O ATOM 757 CB PRO A 55 -4.233 2.194 11.061 1.00 0.00 C ATOM 758 CG PRO A 55 -3.496 2.998 9.992 1.00 0.00 C ATOM 759 CD PRO A 55 -2.359 2.058 9.607 1.00 0.00 C ATOM 0 HA PRO A 55 -4.079 0.041 11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.271 2.512 11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.770 2.307 12.041 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.138 3.229 9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.126 3.947 10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.015 2.248 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.499 2.187 10.264 1.00 0.00 H new ATOM 767 N ARG A 56 -6.464 0.046 10.414 1.00 0.00 N ATOM 768 CA ARG A 56 -7.688 -0.406 9.763 1.00 0.00 C ATOM 769 C ARG A 56 -8.463 0.747 9.136 1.00 0.00 C ATOM 770 O ARG A 56 -8.192 1.919 9.395 1.00 0.00 O ATOM 771 CB ARG A 56 -8.562 -1.167 10.756 1.00 0.00 C ATOM 772 CG ARG A 56 -7.891 -2.495 11.108 1.00 0.00 C ATOM 773 CD ARG A 56 -8.823 -3.341 11.962 1.00 0.00 C ATOM 774 NE ARG A 56 -10.029 -3.733 11.223 1.00 0.00 N ATOM 775 CZ ARG A 56 -11.043 -4.415 11.764 1.00 0.00 C ATOM 776 NH1 ARG A 56 -11.012 -4.782 13.041 1.00 0.00 N ATOM 777 NH2 ARG A 56 -12.100 -4.736 11.021 1.00 0.00 N ATOM 0 H ARG A 56 -6.530 0.095 11.431 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.402 -1.077 8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.711 -0.572 11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.547 -1.347 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.632 -3.033 10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.961 -2.310 11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.297 -4.234 12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.108 -2.782 12.853 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.097 -3.470 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.207 -4.543 13.621 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.793 -5.302 13.441 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.136 -4.461 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.874 -5.257 11.433 1.00 0.00 H new ATOM 791 N CYS A 57 -9.439 0.386 8.301 1.00 0.00 N ATOM 792 CA CYS A 57 -10.300 1.322 7.597 1.00 0.00 C ATOM 793 C CYS A 57 -11.671 0.693 7.354 1.00 0.00 C ATOM 794 O CYS A 57 -11.728 -0.307 6.605 1.00 0.00 O ATOM 795 CB CYS A 57 -9.636 1.714 6.278 1.00 0.00 C ATOM 796 SG CYS A 57 -10.622 2.830 5.256 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.652 1.223 7.923 1.00 0.00 O ATOM 0 H CYS A 57 -9.653 -0.590 8.095 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.445 2.218 8.200 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.678 2.187 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.424 0.809 5.708 1.00 0.00 H new