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 155:sc= 0.431 USER MOD Set 1.2: A 49 THR OG1 : rot 106:sc= 0.471 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.23 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= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : A 21 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.47) USER MOD Single : A 24 SER OG : rot 88:sc= 0.94 USER MOD Single : A 26 HIS : no HE2:sc= 0.033 K(o=0.033,f=-3.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.225 K(o=0.23,f=-7.5!) USER MOD Single : A 39 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.074) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -13.120 -1.015 -0.488 1.00 0.00 N ATOM 29 CA CYS A 3 -11.751 -1.403 -0.191 1.00 0.00 C ATOM 30 C CYS A 3 -11.431 -2.748 -0.855 1.00 0.00 C ATOM 31 O CYS A 3 -11.357 -3.779 -0.185 1.00 0.00 O ATOM 32 CB CYS A 3 -11.557 -1.429 1.326 1.00 0.00 C ATOM 33 SG CYS A 3 -12.761 -2.403 2.274 1.00 0.00 S ATOM 0 HA CYS A 3 -11.049 -0.677 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.561 -1.817 1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.583 -0.403 1.692 1.00 0.00 H new ATOM 38 N PRO A 4 -11.238 -2.743 -2.180 1.00 0.00 N ATOM 39 CA PRO A 4 -11.002 -3.932 -2.983 1.00 0.00 C ATOM 40 C PRO A 4 -9.585 -4.469 -2.803 1.00 0.00 C ATOM 41 O PRO A 4 -8.767 -3.873 -2.099 1.00 0.00 O ATOM 42 CB PRO A 4 -11.227 -3.477 -4.424 1.00 0.00 C ATOM 43 CG PRO A 4 -10.779 -2.016 -4.387 1.00 0.00 C ATOM 44 CD PRO A 4 -11.250 -1.554 -3.011 1.00 0.00 C ATOM 0 HA PRO A 4 -11.663 -4.748 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.639 -4.063 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.271 -3.573 -4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.699 -1.921 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.234 -1.433 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.590 -0.786 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.249 -1.121 -3.063 1.00 0.00 H new ATOM 52 N THR A 5 -9.298 -5.605 -3.451 1.00 0.00 N ATOM 53 CA THR A 5 -7.985 -6.238 -3.409 1.00 0.00 C ATOM 54 C THR A 5 -7.263 -6.021 -4.736 1.00 0.00 C ATOM 55 O THR A 5 -7.809 -6.352 -5.787 1.00 0.00 O ATOM 56 CB THR A 5 -8.131 -7.740 -3.146 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.029 -7.971 -2.087 1.00 0.00 O ATOM 58 CG2 THR A 5 -6.774 -8.350 -2.788 1.00 0.00 C ATOM 0 H THR A 5 -9.978 -6.109 -4.021 1.00 0.00 H new ATOM 0 HA THR A 5 -7.405 -5.789 -2.603 1.00 0.00 H new ATOM 0 HB THR A 5 -8.514 -8.206 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.112 -8.935 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.892 -9.418 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.078 -8.199 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.384 -7.868 -1.892 1.00 0.00 H new ATOM 66 N ARG A 6 -6.046 -5.471 -4.703 1.00 0.00 N ATOM 67 CA ARG A 6 -5.238 -5.278 -5.903 1.00 0.00 C ATOM 68 C ARG A 6 -3.769 -5.521 -5.570 1.00 0.00 C ATOM 69 O ARG A 6 -3.272 -5.000 -4.573 1.00 0.00 O ATOM 70 CB ARG A 6 -5.430 -3.864 -6.459 1.00 0.00 C ATOM 71 CG ARG A 6 -6.909 -3.543 -6.676 1.00 0.00 C ATOM 72 CD ARG A 6 -7.075 -2.207 -7.394 1.00 0.00 C ATOM 73 NE ARG A 6 -6.634 -2.286 -8.793 1.00 0.00 N ATOM 74 CZ ARG A 6 -6.711 -1.274 -9.662 1.00 0.00 C ATOM 75 NH1 ARG A 6 -7.199 -0.095 -9.289 1.00 0.00 N ATOM 76 NH2 ARG A 6 -6.298 -1.445 -10.913 1.00 0.00 N ATOM 0 H ARG A 6 -5.597 -5.149 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.557 -5.989 -6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.997 -3.139 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.893 -3.767 -7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.376 -4.336 -7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.423 -3.511 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.121 -1.902 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.501 -1.440 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.244 -3.169 -9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.519 0.044 -8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.253 0.670 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.923 -2.347 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.355 -0.674 -11.579 1.00 0.00 H new ATOM 90 N ARG A 7 -3.072 -6.310 -6.396 1.00 0.00 N ATOM 91 CA ARG A 7 -1.660 -6.638 -6.181 1.00 0.00 C ATOM 92 C ARG A 7 -0.854 -6.577 -7.479 1.00 0.00 C ATOM 93 O ARG A 7 0.371 -6.635 -7.439 1.00 0.00 O ATOM 94 CB ARG A 7 -1.543 -8.046 -5.580 1.00 0.00 C ATOM 95 CG ARG A 7 -2.284 -8.217 -4.250 1.00 0.00 C ATOM 96 CD ARG A 7 -1.715 -7.346 -3.128 1.00 0.00 C ATOM 97 NE ARG A 7 -0.300 -7.643 -2.866 1.00 0.00 N ATOM 98 CZ ARG A 7 0.148 -8.669 -2.138 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.690 -9.551 -1.601 1.00 0.00 N ATOM 100 NH2 ARG A 7 1.456 -8.811 -1.945 1.00 0.00 N ATOM 0 H ARG A 7 -3.472 -6.738 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.251 -5.896 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.931 -8.770 -6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.489 -8.280 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.336 -7.972 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.239 -9.263 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.822 -6.295 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.293 -7.504 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 7 0.395 -7.016 -3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.695 -9.451 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.328 -10.328 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.107 -8.140 -2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.808 -9.591 -1.390 1.00 0.00 H new ATOM 114 N GLY A 8 -1.529 -6.465 -8.631 1.00 0.00 N ATOM 115 CA GLY A 8 -0.891 -6.436 -9.942 1.00 0.00 C ATOM 116 C GLY A 8 -0.500 -5.024 -10.368 1.00 0.00 C ATOM 117 O GLY A 8 -0.182 -4.797 -11.533 1.00 0.00 O ATOM 0 H GLY A 8 -2.545 -6.391 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.002 -7.066 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.569 -6.861 -10.682 1.00 0.00 H new ATOM 121 N LEU A 9 -0.517 -4.063 -9.438 1.00 0.00 N ATOM 122 CA LEU A 9 -0.288 -2.660 -9.748 1.00 0.00 C ATOM 123 C LEU A 9 1.137 -2.388 -10.222 1.00 0.00 C ATOM 124 O LEU A 9 1.392 -1.341 -10.810 1.00 0.00 O ATOM 125 CB LEU A 9 -0.606 -1.828 -8.499 1.00 0.00 C ATOM 126 CG LEU A 9 -2.058 -2.021 -8.053 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.281 -1.283 -6.737 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.037 -1.469 -9.087 1.00 0.00 C ATOM 0 H LEU A 9 -0.691 -4.243 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.943 -2.379 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.066 -2.113 -7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.425 -0.773 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.235 -3.090 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.314 -1.417 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.609 -1.683 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.080 -0.221 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.059 -1.622 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.857 -0.403 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.895 -1.987 -10.035 1.00 0.00 H new ATOM 140 N CYS A 10 2.071 -3.314 -9.974 1.00 0.00 N ATOM 141 CA CYS A 10 3.454 -3.148 -10.393 1.00 0.00 C ATOM 142 C CYS A 10 3.720 -3.812 -11.745 1.00 0.00 C ATOM 143 O CYS A 10 4.861 -3.815 -12.212 1.00 0.00 O ATOM 144 CB CYS A 10 4.378 -3.692 -9.304 1.00 0.00 C ATOM 145 SG CYS A 10 4.359 -2.751 -7.755 1.00 0.00 S ATOM 0 H CYS A 10 1.885 -4.188 -9.482 1.00 0.00 H new ATOM 0 HA CYS A 10 3.656 -2.086 -10.530 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.097 -4.723 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.398 -3.712 -9.688 1.00 0.00 H new ATOM 150 N VAL A 11 2.689 -4.377 -12.386 1.00 0.00 N ATOM 151 CA VAL A 11 2.856 -5.068 -13.661 1.00 0.00 C ATOM 152 C VAL A 11 2.772 -4.098 -14.838 1.00 0.00 C ATOM 153 O VAL A 11 3.397 -4.335 -15.871 1.00 0.00 O ATOM 154 CB VAL A 11 1.800 -6.171 -13.798 1.00 0.00 C ATOM 155 CG1 VAL A 11 1.969 -6.939 -15.107 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.930 -7.170 -12.651 1.00 0.00 C ATOM 0 H VAL A 11 1.730 -4.366 -12.038 1.00 0.00 H new ATOM 0 HA VAL A 11 3.849 -5.518 -13.677 1.00 0.00 H new ATOM 0 HB VAL A 11 0.823 -5.688 -13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.206 -7.714 -15.175 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.865 -6.253 -15.947 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.957 -7.399 -15.134 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.175 -7.949 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.922 -7.621 -12.672 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.786 -6.654 -11.701 1.00 0.00 H new ATOM 166 N THR A 12 2.008 -3.007 -14.699 1.00 0.00 N ATOM 167 CA THR A 12 1.860 -2.044 -15.784 1.00 0.00 C ATOM 168 C THR A 12 1.469 -0.650 -15.285 1.00 0.00 C ATOM 169 O THR A 12 1.768 0.345 -15.943 1.00 0.00 O ATOM 170 CB THR A 12 0.815 -2.568 -16.773 1.00 0.00 C ATOM 171 OG1 THR A 12 0.734 -1.708 -17.891 1.00 0.00 O ATOM 172 CG2 THR A 12 -0.576 -2.673 -16.139 1.00 0.00 C ATOM 0 H THR A 12 1.489 -2.775 -13.852 1.00 0.00 H new ATOM 0 HA THR A 12 2.828 -1.937 -16.275 1.00 0.00 H new ATOM 0 HB THR A 12 1.134 -3.565 -17.076 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.065 -2.051 -18.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.285 -3.049 -16.877 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.539 -3.357 -15.291 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.896 -1.688 -15.798 1.00 0.00 H new ATOM 180 N SER A 13 0.805 -0.563 -14.128 1.00 0.00 N ATOM 181 CA SER A 13 0.378 0.715 -13.579 1.00 0.00 C ATOM 182 C SER A 13 1.523 1.444 -12.883 1.00 0.00 C ATOM 183 O SER A 13 1.468 2.656 -12.688 1.00 0.00 O ATOM 184 CB SER A 13 -0.766 0.471 -12.603 1.00 0.00 C ATOM 185 OG SER A 13 -1.882 -0.056 -13.286 1.00 0.00 O ATOM 0 H SER A 13 0.554 -1.370 -13.556 1.00 0.00 H new ATOM 0 HA SER A 13 0.045 1.353 -14.398 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.448 -0.220 -11.823 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.039 1.404 -12.110 1.00 0.00 H new ATOM 0 HG SER A 13 -2.611 -0.211 -12.650 1.00 0.00 H new ATOM 191 N GLY A 14 2.561 0.695 -12.513 1.00 0.00 N ATOM 192 CA GLY A 14 3.785 1.234 -11.941 1.00 0.00 C ATOM 193 C GLY A 14 3.711 1.403 -10.429 1.00 0.00 C ATOM 194 O GLY A 14 2.658 1.231 -9.815 1.00 0.00 O ATOM 0 H GLY A 14 2.571 -0.321 -12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.616 0.573 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.999 2.200 -12.399 1.00 0.00 H new ATOM 198 N LEU A 15 4.849 1.745 -9.821 1.00 0.00 N ATOM 199 CA LEU A 15 4.962 1.891 -8.378 1.00 0.00 C ATOM 200 C LEU A 15 4.047 3.003 -7.871 1.00 0.00 C ATOM 201 O LEU A 15 3.589 2.949 -6.731 1.00 0.00 O ATOM 202 CB LEU A 15 6.429 2.194 -8.040 1.00 0.00 C ATOM 203 CG LEU A 15 6.647 2.517 -6.558 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.243 1.352 -5.658 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.122 2.820 -6.320 1.00 0.00 C ATOM 0 H LEU A 15 5.718 1.928 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 15 4.651 0.969 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.044 1.337 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.769 3.036 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 15 6.025 3.377 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.413 1.622 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.187 1.126 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.840 0.475 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.281 3.050 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.721 1.952 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.420 3.675 -6.927 1.00 0.00 H new ATOM 217 N THR A 16 3.766 4.011 -8.701 1.00 0.00 N ATOM 218 CA THR A 16 2.908 5.120 -8.307 1.00 0.00 C ATOM 219 C THR A 16 1.495 4.626 -8.005 1.00 0.00 C ATOM 220 O THR A 16 0.829 5.169 -7.129 1.00 0.00 O ATOM 221 CB THR A 16 2.887 6.170 -9.420 1.00 0.00 C ATOM 222 OG1 THR A 16 4.210 6.514 -9.766 1.00 0.00 O ATOM 223 CG2 THR A 16 2.152 7.435 -8.975 1.00 0.00 C ATOM 0 H THR A 16 4.125 4.077 -9.654 1.00 0.00 H new ATOM 0 HA THR A 16 3.305 5.573 -7.399 1.00 0.00 H new ATOM 0 HB THR A 16 2.365 5.743 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.197 7.185 -10.480 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.154 8.162 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.124 7.185 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.654 7.861 -8.106 1.00 0.00 H new ATOM 231 N ALA A 17 1.031 3.599 -8.721 1.00 0.00 N ATOM 232 CA ALA A 17 -0.296 3.051 -8.490 1.00 0.00 C ATOM 233 C ALA A 17 -0.289 2.154 -7.256 1.00 0.00 C ATOM 234 O ALA A 17 -1.283 2.087 -6.537 1.00 0.00 O ATOM 235 CB ALA A 17 -0.740 2.280 -9.728 1.00 0.00 C ATOM 0 H ALA A 17 1.557 3.135 -9.462 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.003 3.860 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.735 1.866 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.765 2.952 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.038 1.469 -9.923 1.00 0.00 H new ATOM 241 N CYS A 18 0.830 1.469 -7.007 1.00 0.00 N ATOM 242 CA CYS A 18 0.980 0.617 -5.838 1.00 0.00 C ATOM 243 C CYS A 18 1.056 1.479 -4.575 1.00 0.00 C ATOM 244 O CYS A 18 0.627 1.058 -3.503 1.00 0.00 O ATOM 245 CB CYS A 18 2.243 -0.231 -6.022 1.00 0.00 C ATOM 246 SG CYS A 18 2.670 -1.293 -4.615 1.00 0.00 S ATOM 0 H CYS A 18 1.651 1.493 -7.611 1.00 0.00 H new ATOM 0 HA CYS A 18 0.122 -0.046 -5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.115 -0.858 -6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.083 0.435 -6.223 1.00 0.00 H new ATOM 251 N ARG A 19 1.601 2.695 -4.700 1.00 0.00 N ATOM 252 CA ARG A 19 1.748 3.614 -3.581 1.00 0.00 C ATOM 253 C ARG A 19 0.428 4.309 -3.277 1.00 0.00 C ATOM 254 O ARG A 19 0.156 4.637 -2.127 1.00 0.00 O ATOM 255 CB ARG A 19 2.837 4.623 -3.935 1.00 0.00 C ATOM 256 CG ARG A 19 3.422 5.281 -2.686 1.00 0.00 C ATOM 257 CD ARG A 19 4.538 6.233 -3.110 1.00 0.00 C ATOM 258 NE ARG A 19 5.297 6.706 -1.946 1.00 0.00 N ATOM 259 CZ ARG A 19 5.974 7.856 -1.899 1.00 0.00 C ATOM 260 NH1 ARG A 19 5.983 8.682 -2.941 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.650 8.184 -0.801 1.00 0.00 N ATOM 0 H ARG A 19 1.951 3.064 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 19 2.034 3.068 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.631 4.123 -4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.424 5.389 -4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.646 5.825 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.810 4.523 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.208 5.727 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.112 7.084 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 19 5.308 6.115 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.469 8.440 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.504 9.558 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.651 7.557 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.168 9.062 -0.764 1.00 0.00 H new ATOM 275 N ASN A 20 -0.392 4.528 -4.306 1.00 0.00 N ATOM 276 CA ASN A 20 -1.697 5.150 -4.131 1.00 0.00 C ATOM 277 C ASN A 20 -2.712 4.151 -3.573 1.00 0.00 C ATOM 278 O ASN A 20 -3.625 4.546 -2.852 1.00 0.00 O ATOM 279 CB ASN A 20 -2.174 5.704 -5.475 1.00 0.00 C ATOM 280 CG ASN A 20 -1.324 6.867 -5.968 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.511 7.423 -5.235 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.511 7.247 -7.230 1.00 0.00 N ATOM 0 H ASN A 20 -0.171 4.281 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.607 5.964 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.157 4.907 -6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.210 6.031 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.970 8.022 -7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.195 6.763 -7.812 1.00 0.00 H new ATOM 289 N HIS A 21 -2.561 2.863 -3.894 1.00 0.00 N ATOM 290 CA HIS A 21 -3.467 1.838 -3.403 1.00 0.00 C ATOM 291 C HIS A 21 -3.162 1.505 -1.946 1.00 0.00 C ATOM 292 O HIS A 21 -4.074 1.211 -1.174 1.00 0.00 O ATOM 293 CB HIS A 21 -3.322 0.597 -4.282 1.00 0.00 C ATOM 294 CG HIS A 21 -4.231 -0.531 -3.879 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.580 -0.630 -4.130 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.864 -1.655 -3.191 1.00 0.00 C ATOM 297 CE1 HIS A 21 -6.010 -1.794 -3.608 1.00 0.00 C ATOM 298 NE2 HIS A 21 -5.000 -2.456 -3.018 1.00 0.00 N ATOM 0 H HIS A 21 -1.815 2.511 -4.494 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.493 2.202 -3.450 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.529 0.868 -5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.289 0.252 -4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.869 -1.885 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.029 -2.148 -3.657 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.050 -3.357 -2.542 1.00 0.00 H new ATOM 306 N CYS A 22 -1.886 1.553 -1.561 1.00 0.00 N ATOM 307 CA CYS A 22 -1.495 1.286 -0.185 1.00 0.00 C ATOM 308 C CYS A 22 -1.852 2.454 0.730 1.00 0.00 C ATOM 309 O CYS A 22 -2.017 2.247 1.930 1.00 0.00 O ATOM 310 CB CYS A 22 0.008 1.021 -0.133 1.00 0.00 C ATOM 311 SG CYS A 22 0.502 -0.575 -0.831 1.00 0.00 S ATOM 0 H CYS A 22 -1.110 1.774 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.039 0.410 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.525 1.816 -0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.339 1.070 0.904 1.00 0.00 H new ATOM 316 N ARG A 23 -1.974 3.670 0.188 1.00 0.00 N ATOM 317 CA ARG A 23 -2.364 4.837 0.973 1.00 0.00 C ATOM 318 C ARG A 23 -3.882 5.008 1.001 1.00 0.00 C ATOM 319 O ARG A 23 -4.391 5.841 1.748 1.00 0.00 O ATOM 320 CB ARG A 23 -1.666 6.086 0.430 1.00 0.00 C ATOM 321 CG ARG A 23 -0.189 6.061 0.834 1.00 0.00 C ATOM 322 CD ARG A 23 0.517 7.314 0.326 1.00 0.00 C ATOM 323 NE ARG A 23 1.859 7.417 0.905 1.00 0.00 N ATOM 324 CZ ARG A 23 2.757 8.343 0.563 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.482 9.245 -0.378 1.00 0.00 N ATOM 326 NH2 ARG A 23 3.938 8.362 1.168 1.00 0.00 N ATOM 0 H ARG A 23 -1.806 3.868 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.045 4.685 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.757 6.123 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.146 6.983 0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.102 6.000 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.292 5.172 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.585 7.285 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.066 8.198 0.585 1.00 0.00 H new ATOM 0 HE ARG A 23 2.124 6.736 1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.576 9.233 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.177 9.947 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.153 7.672 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.630 9.066 0.913 1.00 0.00 H new ATOM 340 N SER A 24 -4.598 4.223 0.194 1.00 0.00 N ATOM 341 CA SER A 24 -6.052 4.204 0.183 1.00 0.00 C ATOM 342 C SER A 24 -6.545 2.966 0.921 1.00 0.00 C ATOM 343 O SER A 24 -5.766 2.046 1.172 1.00 0.00 O ATOM 344 CB SER A 24 -6.570 4.223 -1.253 1.00 0.00 C ATOM 345 OG SER A 24 -6.147 5.399 -1.915 1.00 0.00 O ATOM 0 H SER A 24 -4.176 3.579 -0.474 1.00 0.00 H new ATOM 0 HA SER A 24 -6.432 5.092 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.207 3.346 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.659 4.169 -1.254 1.00 0.00 H new ATOM 0 HG SER A 24 -5.266 5.249 -2.316 1.00 0.00 H new ATOM 351 N CYS A 25 -7.832 2.929 1.271 1.00 0.00 N ATOM 352 CA CYS A 25 -8.397 1.784 1.964 1.00 0.00 C ATOM 353 C CYS A 25 -8.483 0.594 1.010 1.00 0.00 C ATOM 354 O CYS A 25 -9.079 0.703 -0.062 1.00 0.00 O ATOM 355 CB CYS A 25 -9.761 2.174 2.538 1.00 0.00 C ATOM 356 SG CYS A 25 -10.454 0.989 3.721 1.00 0.00 S ATOM 0 H CYS A 25 -8.496 3.680 1.084 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.758 1.482 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.670 3.144 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.464 2.298 1.714 1.00 0.00 H new ATOM 361 N HIS A 26 -7.893 -0.543 1.394 1.00 0.00 N ATOM 362 CA HIS A 26 -7.869 -1.740 0.564 1.00 0.00 C ATOM 363 C HIS A 26 -8.018 -2.981 1.435 1.00 0.00 C ATOM 364 O HIS A 26 -7.940 -2.893 2.659 1.00 0.00 O ATOM 365 CB HIS A 26 -6.549 -1.769 -0.208 1.00 0.00 C ATOM 366 CG HIS A 26 -5.367 -1.676 0.719 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.628 -0.537 0.979 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.843 -2.692 1.466 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.680 -0.854 1.878 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.799 -2.157 2.192 1.00 0.00 N ATOM 0 H HIS A 26 -7.420 -0.654 2.291 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.699 -1.727 -0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.486 -2.689 -0.789 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.523 -0.942 -0.917 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.776 0.382 0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.181 -3.718 1.485 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.944 -0.175 2.282 1.00 0.00 H new ATOM 379 N ARG A 27 -8.230 -4.141 0.811 1.00 0.00 N ATOM 380 CA ARG A 27 -8.432 -5.386 1.535 1.00 0.00 C ATOM 381 C ARG A 27 -7.116 -5.890 2.121 1.00 0.00 C ATOM 382 O ARG A 27 -6.130 -6.033 1.400 1.00 0.00 O ATOM 383 CB ARG A 27 -9.043 -6.414 0.577 1.00 0.00 C ATOM 384 CG ARG A 27 -9.497 -7.704 1.267 1.00 0.00 C ATOM 385 CD ARG A 27 -10.482 -7.401 2.396 1.00 0.00 C ATOM 386 NE ARG A 27 -11.236 -8.593 2.804 1.00 0.00 N ATOM 387 CZ ARG A 27 -10.740 -9.647 3.462 1.00 0.00 C ATOM 388 NH1 ARG A 27 -9.454 -9.712 3.803 1.00 0.00 N ATOM 389 NH2 ARG A 27 -11.547 -10.653 3.791 1.00 0.00 N ATOM 0 H ARG A 27 -8.265 -4.238 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.113 -5.222 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.897 -5.963 0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.311 -6.662 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.965 -8.366 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.631 -8.232 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.939 -7.004 3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.177 -6.626 2.072 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.227 -8.620 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.823 -8.947 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.100 -10.527 4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.535 -10.617 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.177 -11.460 4.293 1.00 0.00 H new ATOM 403 N GLY A 28 -7.110 -6.159 3.430 1.00 0.00 N ATOM 404 CA GLY A 28 -5.968 -6.711 4.138 1.00 0.00 C ATOM 405 C GLY A 28 -6.078 -8.227 4.232 1.00 0.00 C ATOM 406 O GLY A 28 -6.809 -8.846 3.461 1.00 0.00 O ATOM 0 H GLY A 28 -7.917 -5.994 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.047 -6.439 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.911 -6.282 5.139 1.00 0.00 H new ATOM 410 N ASP A 29 -5.355 -8.832 5.177 1.00 0.00 N ATOM 411 CA ASP A 29 -5.340 -10.281 5.345 1.00 0.00 C ATOM 412 C ASP A 29 -6.532 -10.789 6.158 1.00 0.00 C ATOM 413 O ASP A 29 -6.888 -11.963 6.064 1.00 0.00 O ATOM 414 CB ASP A 29 -4.026 -10.672 6.019 1.00 0.00 C ATOM 415 CG ASP A 29 -3.862 -12.187 6.093 1.00 0.00 C ATOM 416 OD1 ASP A 29 -3.706 -12.799 5.012 1.00 0.00 O ATOM 417 OD2 ASP A 29 -3.891 -12.721 7.225 1.00 0.00 O ATOM 0 H ASP A 29 -4.767 -8.331 5.843 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.421 -10.745 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.191 -10.242 5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.993 -10.252 7.024 1.00 0.00 H new ATOM 422 N VAL A 30 -7.156 -9.914 6.956 1.00 0.00 N ATOM 423 CA VAL A 30 -8.297 -10.283 7.793 1.00 0.00 C ATOM 424 C VAL A 30 -9.400 -9.222 7.748 1.00 0.00 C ATOM 425 O VAL A 30 -10.509 -9.457 8.226 1.00 0.00 O ATOM 426 CB VAL A 30 -7.782 -10.534 9.218 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.270 -9.245 9.858 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.871 -11.143 10.099 1.00 0.00 C ATOM 0 H VAL A 30 -6.883 -8.935 7.037 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.758 -11.195 7.413 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.955 -11.240 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.913 -9.456 10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.453 -8.842 9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.079 -8.516 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.477 -11.309 11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.720 -10.462 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.194 -12.093 9.674 1.00 0.00 H new ATOM 438 N GLY A 31 -9.109 -8.056 7.171 1.00 0.00 N ATOM 439 CA GLY A 31 -10.061 -6.960 7.055 1.00 0.00 C ATOM 440 C GLY A 31 -9.423 -5.807 6.291 1.00 0.00 C ATOM 441 O GLY A 31 -8.226 -5.844 6.014 1.00 0.00 O ATOM 0 H GLY A 31 -8.195 -7.847 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.959 -7.299 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.369 -6.626 8.046 1.00 0.00 H new ATOM 445 N CYS A 32 -10.203 -4.781 5.943 1.00 0.00 N ATOM 446 CA CYS A 32 -9.664 -3.666 5.182 1.00 0.00 C ATOM 447 C CYS A 32 -8.780 -2.774 6.050 1.00 0.00 C ATOM 448 O CYS A 32 -9.068 -2.550 7.225 1.00 0.00 O ATOM 449 CB CYS A 32 -10.790 -2.883 4.515 1.00 0.00 C ATOM 450 SG CYS A 32 -11.612 -3.807 3.194 1.00 0.00 S ATOM 0 H CYS A 32 -11.193 -4.704 6.174 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.026 -4.064 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.527 -2.605 5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.387 -1.956 4.106 1.00 0.00 H new ATOM 455 N VAL A 33 -7.697 -2.272 5.451 1.00 0.00 N ATOM 456 CA VAL A 33 -6.708 -1.427 6.110 1.00 0.00 C ATOM 457 C VAL A 33 -6.111 -0.441 5.114 1.00 0.00 C ATOM 458 O VAL A 33 -6.301 -0.570 3.905 1.00 0.00 O ATOM 459 CB VAL A 33 -5.577 -2.283 6.700 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.095 -3.211 7.795 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.893 -3.125 5.620 1.00 0.00 C ATOM 0 H VAL A 33 -7.482 -2.449 4.470 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.208 -0.883 6.912 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.852 -1.591 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.270 -3.802 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.534 -2.618 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.852 -3.877 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.098 -3.719 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.624 -3.789 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.469 -2.468 4.860 1.00 0.00 H new ATOM 471 N ARG A 34 -5.380 0.556 5.624 1.00 0.00 N ATOM 472 CA ARG A 34 -4.618 1.487 4.803 1.00 0.00 C ATOM 473 C ARG A 34 -3.248 1.677 5.448 1.00 0.00 C ATOM 474 O ARG A 34 -3.132 1.579 6.667 1.00 0.00 O ATOM 475 CB ARG A 34 -5.372 2.808 4.633 1.00 0.00 C ATOM 476 CG ARG A 34 -5.444 3.606 5.935 1.00 0.00 C ATOM 477 CD ARG A 34 -6.309 4.851 5.756 1.00 0.00 C ATOM 478 NE ARG A 34 -5.807 5.710 4.676 1.00 0.00 N ATOM 479 CZ ARG A 34 -6.184 6.977 4.490 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.049 7.562 5.316 1.00 0.00 N ATOM 481 NH2 ARG A 34 -5.692 7.670 3.470 1.00 0.00 N ATOM 0 H ARG A 34 -5.304 0.736 6.625 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.482 1.087 3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.880 3.409 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.382 2.604 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.856 2.982 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.440 3.896 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.335 4.553 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.333 5.415 6.688 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.127 5.314 4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.433 7.041 6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.327 8.531 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.027 7.234 2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.979 8.638 3.326 1.00 0.00 H new ATOM 495 N CYS A 35 -2.220 1.946 4.643 1.00 0.00 N ATOM 496 CA CYS A 35 -0.838 1.957 5.102 1.00 0.00 C ATOM 497 C CYS A 35 -0.158 3.299 4.815 1.00 0.00 C ATOM 498 O CYS A 35 -0.802 4.251 4.373 1.00 0.00 O ATOM 499 CB CYS A 35 -0.088 0.816 4.425 1.00 0.00 C ATOM 500 SG CYS A 35 -0.775 -0.850 4.646 1.00 0.00 S ATOM 0 H CYS A 35 -2.327 2.163 3.652 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.823 1.820 6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.040 1.026 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.937 0.814 4.796 1.00 0.00 H new ATOM 505 N SER A 36 1.155 3.368 5.067 1.00 0.00 N ATOM 506 CA SER A 36 1.914 4.607 4.968 1.00 0.00 C ATOM 507 C SER A 36 2.669 4.740 3.647 1.00 0.00 C ATOM 508 O SER A 36 2.772 5.837 3.099 1.00 0.00 O ATOM 509 CB SER A 36 2.902 4.648 6.136 1.00 0.00 C ATOM 510 OG SER A 36 3.540 5.907 6.187 1.00 0.00 O ATOM 0 H SER A 36 1.715 2.562 5.345 1.00 0.00 H new ATOM 0 HA SER A 36 1.213 5.441 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.378 4.459 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.645 3.859 6.022 1.00 0.00 H new ATOM 0 HG SER A 36 4.169 5.925 6.938 1.00 0.00 H new ATOM 516 N ASN A 37 3.202 3.632 3.122 1.00 0.00 N ATOM 517 CA ASN A 37 4.000 3.645 1.900 1.00 0.00 C ATOM 518 C ASN A 37 3.884 2.297 1.185 1.00 0.00 C ATOM 519 O ASN A 37 3.116 1.438 1.615 1.00 0.00 O ATOM 520 CB ASN A 37 5.451 3.977 2.272 1.00 0.00 C ATOM 521 CG ASN A 37 6.291 4.406 1.076 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.763 4.694 0.008 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.606 4.448 1.251 1.00 0.00 N ATOM 0 H ASN A 37 3.091 2.705 3.534 1.00 0.00 H new ATOM 0 HA ASN A 37 3.635 4.405 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.456 4.773 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.910 3.104 2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.214 4.727 0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.008 4.201 2.155 1.00 0.00 H new ATOM 530 N ALA A 38 4.637 2.099 0.101 1.00 0.00 N ATOM 531 CA ALA A 38 4.578 0.874 -0.679 1.00 0.00 C ATOM 532 C ALA A 38 5.869 0.630 -1.451 1.00 0.00 C ATOM 533 O ALA A 38 6.712 1.520 -1.573 1.00 0.00 O ATOM 534 CB ALA A 38 3.425 0.991 -1.674 1.00 0.00 C ATOM 0 H ALA A 38 5.302 2.786 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 38 4.432 0.038 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.364 0.080 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.490 1.133 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.597 1.843 -2.331 1.00 0.00 H new ATOM 540 N GLN A 39 6.015 -0.586 -1.979 1.00 0.00 N ATOM 541 CA GLN A 39 7.108 -0.964 -2.863 1.00 0.00 C ATOM 542 C GLN A 39 6.658 -2.125 -3.748 1.00 0.00 C ATOM 543 O GLN A 39 5.663 -2.786 -3.457 1.00 0.00 O ATOM 544 CB GLN A 39 8.348 -1.346 -2.050 1.00 0.00 C ATOM 545 CG GLN A 39 8.097 -2.576 -1.178 1.00 0.00 C ATOM 546 CD GLN A 39 9.380 -3.031 -0.488 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.917 -4.091 -0.796 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.890 -2.234 0.447 1.00 0.00 N ATOM 0 H GLN A 39 5.361 -1.348 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 39 7.374 -0.117 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.180 -1.543 -2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.642 -0.507 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.339 -2.346 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.703 -3.386 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.422 -1.359 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.749 -2.498 0.929 1.00 0.00 H new ATOM 557 N CYS A 40 7.393 -2.379 -4.830 1.00 0.00 N ATOM 558 CA CYS A 40 7.104 -3.500 -5.708 1.00 0.00 C ATOM 559 C CYS A 40 7.962 -4.700 -5.308 1.00 0.00 C ATOM 560 O CYS A 40 9.117 -4.539 -4.913 1.00 0.00 O ATOM 561 CB CYS A 40 7.318 -3.095 -7.168 1.00 0.00 C ATOM 562 SG CYS A 40 6.177 -1.817 -7.759 1.00 0.00 S ATOM 0 H CYS A 40 8.195 -1.818 -5.116 1.00 0.00 H new ATOM 0 HA CYS A 40 6.059 -3.792 -5.606 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.341 -2.737 -7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.214 -3.979 -7.798 1.00 0.00 H new ATOM 567 N THR A 41 7.398 -5.903 -5.414 1.00 0.00 N ATOM 568 CA THR A 41 8.050 -7.140 -5.009 1.00 0.00 C ATOM 569 C THR A 41 7.847 -8.231 -6.057 1.00 0.00 C ATOM 570 O THR A 41 7.209 -8.008 -7.088 1.00 0.00 O ATOM 571 CB THR A 41 7.483 -7.595 -3.659 1.00 0.00 C ATOM 572 OG1 THR A 41 6.092 -7.798 -3.776 1.00 0.00 O ATOM 573 CG2 THR A 41 7.743 -6.549 -2.578 1.00 0.00 C ATOM 0 H THR A 41 6.460 -6.043 -5.790 1.00 0.00 H new ATOM 0 HA THR A 41 9.120 -6.958 -4.914 1.00 0.00 H new ATOM 0 HB THR A 41 7.978 -8.524 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.797 -8.439 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.331 -6.895 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.817 -6.394 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.267 -5.610 -2.859 1.00 0.00 H new ATOM 581 N GLY A 42 8.391 -9.421 -5.788 1.00 0.00 N ATOM 582 CA GLY A 42 8.294 -10.568 -6.679 1.00 0.00 C ATOM 583 C GLY A 42 9.600 -10.796 -7.435 1.00 0.00 C ATOM 584 O GLY A 42 10.529 -9.993 -7.350 1.00 0.00 O ATOM 0 H GLY A 42 8.916 -9.612 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.045 -11.459 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.483 -10.411 -7.390 1.00 0.00 H new ATOM 588 N PHE A 43 9.667 -11.903 -8.178 1.00 0.00 N ATOM 589 CA PHE A 43 10.861 -12.290 -8.919 1.00 0.00 C ATOM 590 C PHE A 43 11.123 -11.353 -10.104 1.00 0.00 C ATOM 591 O PHE A 43 12.242 -11.290 -10.606 1.00 0.00 O ATOM 592 CB PHE A 43 10.680 -13.731 -9.399 1.00 0.00 C ATOM 593 CG PHE A 43 11.807 -14.257 -10.263 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.107 -14.350 -9.747 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.550 -14.654 -11.582 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.148 -14.840 -10.549 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.592 -15.140 -12.385 1.00 0.00 C ATOM 598 CZ PHE A 43 13.890 -15.231 -11.871 1.00 0.00 C ATOM 0 H PHE A 43 8.890 -12.556 -8.280 1.00 0.00 H new ATOM 0 HA PHE A 43 11.729 -12.216 -8.264 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.575 -14.379 -8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.748 -13.798 -9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.307 -14.044 -8.731 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.549 -14.586 -11.981 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.148 -14.916 -10.149 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.392 -15.444 -13.402 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.692 -15.602 -12.491 1.00 0.00 H new ATOM 608 N LEU A 44 10.094 -10.622 -10.547 1.00 0.00 N ATOM 609 CA LEU A 44 10.190 -9.715 -11.684 1.00 0.00 C ATOM 610 C LEU A 44 9.547 -8.362 -11.368 1.00 0.00 C ATOM 611 O LEU A 44 9.304 -7.565 -12.275 1.00 0.00 O ATOM 612 CB LEU A 44 9.535 -10.360 -12.914 1.00 0.00 C ATOM 613 CG LEU A 44 10.275 -11.620 -13.383 1.00 0.00 C ATOM 614 CD1 LEU A 44 9.474 -12.295 -14.494 1.00 0.00 C ATOM 615 CD2 LEU A 44 11.660 -11.280 -13.937 1.00 0.00 C ATOM 0 H LEU A 44 9.168 -10.647 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 44 11.243 -9.532 -11.898 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.502 -10.616 -12.679 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.506 -9.636 -13.728 1.00 0.00 H new ATOM 0 HG LEU A 44 10.386 -12.280 -12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.998 -13.190 -14.828 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.489 -12.571 -14.117 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.362 -11.606 -15.331 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.157 -12.195 -14.260 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.556 -10.604 -14.786 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.255 -10.799 -13.160 1.00 0.00 H new ATOM 627 N GLY A 45 9.268 -8.087 -10.088 1.00 0.00 N ATOM 628 CA GLY A 45 8.640 -6.837 -9.682 1.00 0.00 C ATOM 629 C GLY A 45 7.161 -6.794 -10.062 1.00 0.00 C ATOM 630 O GLY A 45 6.557 -5.724 -10.057 1.00 0.00 O ATOM 0 H GLY A 45 9.471 -8.722 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.742 -6.713 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.160 -6.001 -10.150 1.00 0.00 H new ATOM 634 N THR A 46 6.574 -7.945 -10.397 1.00 0.00 N ATOM 635 CA THR A 46 5.198 -8.049 -10.866 1.00 0.00 C ATOM 636 C THR A 46 4.177 -8.078 -9.728 1.00 0.00 C ATOM 637 O THR A 46 3.013 -8.407 -9.957 1.00 0.00 O ATOM 638 CB THR A 46 5.049 -9.280 -11.768 1.00 0.00 C ATOM 639 OG1 THR A 46 5.608 -10.410 -11.134 1.00 0.00 O ATOM 640 CG2 THR A 46 5.768 -9.036 -13.093 1.00 0.00 C ATOM 0 H THR A 46 7.053 -8.844 -10.348 1.00 0.00 H new ATOM 0 HA THR A 46 4.983 -7.148 -11.440 1.00 0.00 H new ATOM 0 HB THR A 46 3.990 -9.458 -11.955 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.508 -11.193 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.661 -9.912 -13.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.332 -8.169 -13.589 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.826 -8.852 -12.905 1.00 0.00 H new ATOM 648 N THR A 47 4.586 -7.735 -8.503 1.00 0.00 N ATOM 649 CA THR A 47 3.695 -7.728 -7.349 1.00 0.00 C ATOM 650 C THR A 47 3.825 -6.410 -6.590 1.00 0.00 C ATOM 651 O THR A 47 4.884 -5.792 -6.593 1.00 0.00 O ATOM 652 CB THR A 47 4.012 -8.926 -6.447 1.00 0.00 C ATOM 653 OG1 THR A 47 3.924 -10.123 -7.191 1.00 0.00 O ATOM 654 CG2 THR A 47 3.036 -9.024 -5.275 1.00 0.00 C ATOM 0 H THR A 47 5.543 -7.456 -8.288 1.00 0.00 H new ATOM 0 HA THR A 47 2.662 -7.816 -7.686 1.00 0.00 H new ATOM 0 HB THR A 47 5.021 -8.781 -6.060 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.129 -10.885 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.293 -9.885 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.097 -8.117 -4.674 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.021 -9.140 -5.655 1.00 0.00 H new ATOM 662 N CYS A 48 2.737 -5.987 -5.945 1.00 0.00 N ATOM 663 CA CYS A 48 2.695 -4.786 -5.125 1.00 0.00 C ATOM 664 C CYS A 48 2.636 -5.180 -3.649 1.00 0.00 C ATOM 665 O CYS A 48 1.995 -6.170 -3.299 1.00 0.00 O ATOM 666 CB CYS A 48 1.476 -3.953 -5.523 1.00 0.00 C ATOM 667 SG CYS A 48 1.082 -2.558 -4.433 1.00 0.00 S ATOM 0 H CYS A 48 1.846 -6.482 -5.982 1.00 0.00 H new ATOM 0 HA CYS A 48 3.592 -4.187 -5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.636 -3.568 -6.530 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.608 -4.611 -5.567 1.00 0.00 H new ATOM 672 N THR A 49 3.296 -4.409 -2.783 1.00 0.00 N ATOM 673 CA THR A 49 3.296 -4.648 -1.345 1.00 0.00 C ATOM 674 C THR A 49 3.308 -3.314 -0.594 1.00 0.00 C ATOM 675 O THR A 49 3.907 -2.344 -1.056 1.00 0.00 O ATOM 676 CB THR A 49 4.513 -5.504 -0.965 1.00 0.00 C ATOM 677 OG1 THR A 49 4.430 -6.749 -1.624 1.00 0.00 O ATOM 678 CG2 THR A 49 4.565 -5.777 0.539 1.00 0.00 C ATOM 0 H THR A 49 3.847 -3.598 -3.064 1.00 0.00 H new ATOM 0 HA THR A 49 2.392 -5.188 -1.064 1.00 0.00 H new ATOM 0 HB THR A 49 5.407 -4.954 -1.259 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.078 -6.774 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.440 -6.385 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.629 -4.832 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.663 -6.309 0.844 1.00 0.00 H new ATOM 686 N CYS A 50 2.643 -3.264 0.565 1.00 0.00 N ATOM 687 CA CYS A 50 2.525 -2.048 1.353 1.00 0.00 C ATOM 688 C CYS A 50 3.517 -2.032 2.517 1.00 0.00 C ATOM 689 O CYS A 50 4.073 -3.067 2.882 1.00 0.00 O ATOM 690 CB CYS A 50 1.084 -1.890 1.842 1.00 0.00 C ATOM 691 SG CYS A 50 -0.169 -1.933 0.531 1.00 0.00 S ATOM 0 H CYS A 50 2.173 -4.070 0.977 1.00 0.00 H new ATOM 0 HA CYS A 50 2.775 -1.197 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.869 -2.683 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.998 -0.945 2.378 1.00 0.00 H new ATOM 696 N ILE A 51 3.732 -0.850 3.100 1.00 0.00 N ATOM 697 CA ILE A 51 4.677 -0.649 4.190 1.00 0.00 C ATOM 698 C ILE A 51 3.936 -0.220 5.455 1.00 0.00 C ATOM 699 O ILE A 51 3.063 0.644 5.401 1.00 0.00 O ATOM 700 CB ILE A 51 5.697 0.421 3.778 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.430 0.061 2.481 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.710 0.657 4.899 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.250 -1.222 2.595 1.00 0.00 C ATOM 0 H ILE A 51 3.246 0.002 2.821 1.00 0.00 H new ATOM 0 HA ILE A 51 5.199 -1.583 4.400 1.00 0.00 H new ATOM 0 HB ILE A 51 5.136 1.338 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.702 -0.050 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.089 0.883 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.425 1.419 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.189 0.992 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.239 -0.272 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.745 -1.423 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.000 -1.106 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.591 -2.054 2.844 1.00 0.00 H new ATOM 715 N ASN A 52 4.289 -0.825 6.593 1.00 0.00 N ATOM 716 CA ASN A 52 3.653 -0.544 7.870 1.00 0.00 C ATOM 717 C ASN A 52 4.025 0.860 8.367 1.00 0.00 C ATOM 718 O ASN A 52 5.030 1.417 7.927 1.00 0.00 O ATOM 719 CB ASN A 52 4.061 -1.629 8.863 1.00 0.00 C ATOM 720 CG ASN A 52 5.565 -1.631 9.107 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.317 -2.270 8.375 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.012 -0.919 10.136 1.00 0.00 N ATOM 0 H ASN A 52 5.028 -1.526 6.648 1.00 0.00 H new ATOM 0 HA ASN A 52 2.569 -0.556 7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.539 -1.473 9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.752 -2.604 8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.011 -0.890 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.356 -0.401 10.721 1.00 0.00 H new ATOM 729 N PRO A 53 3.239 1.449 9.280 1.00 0.00 N ATOM 730 CA PRO A 53 2.006 0.921 9.855 1.00 0.00 C ATOM 731 C PRO A 53 0.882 0.760 8.830 1.00 0.00 C ATOM 732 O PRO A 53 0.938 1.335 7.746 1.00 0.00 O ATOM 733 CB PRO A 53 1.587 1.931 10.929 1.00 0.00 C ATOM 734 CG PRO A 53 2.867 2.705 11.235 1.00 0.00 C ATOM 735 CD PRO A 53 3.554 2.729 9.875 1.00 0.00 C ATOM 0 HA PRO A 53 2.184 -0.078 10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.799 2.592 10.568 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.202 1.431 11.818 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.658 3.709 11.605 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.475 2.207 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.187 3.552 9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.631 2.863 9.978 1.00 0.00 H new ATOM 743 N CYS A 54 -0.133 -0.030 9.186 1.00 0.00 N ATOM 744 CA CYS A 54 -1.303 -0.281 8.352 1.00 0.00 C ATOM 745 C CYS A 54 -2.572 -0.328 9.216 1.00 0.00 C ATOM 746 O CYS A 54 -3.162 -1.395 9.380 1.00 0.00 O ATOM 747 CB CYS A 54 -1.119 -1.598 7.595 1.00 0.00 C ATOM 748 SG CYS A 54 0.151 -1.613 6.302 1.00 0.00 S ATOM 0 H CYS A 54 -0.162 -0.521 10.080 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.411 0.529 7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.879 -2.377 8.318 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.073 -1.867 7.141 1.00 0.00 H new ATOM 753 N PRO A 55 -3.003 0.814 9.773 1.00 0.00 N ATOM 754 CA PRO A 55 -4.198 0.921 10.599 1.00 0.00 C ATOM 755 C PRO A 55 -5.474 0.625 9.805 1.00 0.00 C ATOM 756 O PRO A 55 -5.453 0.536 8.577 1.00 0.00 O ATOM 757 CB PRO A 55 -4.197 2.362 11.118 1.00 0.00 C ATOM 758 CG PRO A 55 -3.436 3.119 10.026 1.00 0.00 C ATOM 759 CD PRO A 55 -2.365 2.109 9.635 1.00 0.00 C ATOM 0 HA PRO A 55 -4.185 0.191 11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.209 2.746 11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.701 2.442 12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.079 3.379 9.185 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.005 4.049 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.022 2.273 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.491 2.190 10.282 1.00 0.00 H new ATOM 767 N ARG A 56 -6.594 0.471 10.521 1.00 0.00 N ATOM 768 CA ARG A 56 -7.885 0.167 9.916 1.00 0.00 C ATOM 769 C ARG A 56 -8.418 1.351 9.114 1.00 0.00 C ATOM 770 O ARG A 56 -7.944 2.476 9.258 1.00 0.00 O ATOM 771 CB ARG A 56 -8.899 -0.208 11.004 1.00 0.00 C ATOM 772 CG ARG A 56 -8.471 -1.397 11.868 1.00 0.00 C ATOM 773 CD ARG A 56 -8.067 -2.615 11.036 1.00 0.00 C ATOM 774 NE ARG A 56 -9.105 -2.982 10.060 1.00 0.00 N ATOM 775 CZ ARG A 56 -10.204 -3.687 10.341 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.429 -4.147 11.571 1.00 0.00 N ATOM 777 NH2 ARG A 56 -11.089 -3.932 9.379 1.00 0.00 N ATOM 0 H ARG A 56 -6.625 0.555 11.537 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.743 -0.673 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.062 0.656 11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.854 -0.439 10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.634 -1.099 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.290 -1.671 12.533 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.135 -2.404 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.876 -3.460 11.698 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.976 -2.675 9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.757 -3.962 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.274 -4.684 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.926 -3.582 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.931 -4.470 9.585 1.00 0.00 H new ATOM 791 N CYS A 57 -9.412 1.081 8.264 1.00 0.00 N ATOM 792 CA CYS A 57 -10.058 2.094 7.438 1.00 0.00 C ATOM 793 C CYS A 57 -11.486 1.669 7.083 1.00 0.00 C ATOM 794 O CYS A 57 -12.271 2.569 6.714 1.00 0.00 O ATOM 795 CB CYS A 57 -9.220 2.318 6.177 1.00 0.00 C ATOM 796 SG CYS A 57 -9.000 0.848 5.139 1.00 0.00 S ATOM 797 OXT CYS A 57 -11.779 0.457 7.180 1.00 0.00 O ATOM 0 H CYS A 57 -9.792 0.144 8.132 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.124 3.030 7.992 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.689 3.100 5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.238 2.688 6.471 1.00 0.00 H new