USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 472 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 17:sc= 0.00251 USER MOD Single : A 13 ASN : amide:sc= -2.76! C(o=-2.8!,f=-12!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 28 GLN : amide:sc= -3.51! C(o=-3.5!,f=-5.5!) USER MOD Single : A 37 GLN : amide:sc= -2.33 K(o=-2.3,f=-8.9!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -6:sc= -0.109 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -10! K(o=-10!,f=-3.1) USER MOD Single : A 63 SER OG : rot 61:sc= 0.259 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.357 K(o=-0.36,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.830 12.178 -0.991 1.00 0.00 N ATOM 2 CA GLU A 1 -1.439 11.653 0.259 1.00 0.00 C ATOM 3 C GLU A 1 -2.831 11.086 0.000 1.00 0.00 C ATOM 4 O GLU A 1 -3.717 11.787 -0.486 1.00 0.00 O ATOM 5 CB GLU A 1 -1.513 12.790 1.279 1.00 0.00 C ATOM 6 CG GLU A 1 -0.968 12.417 2.648 1.00 0.00 C ATOM 7 CD GLU A 1 -0.782 13.621 3.550 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.982 14.758 3.072 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.437 13.428 4.735 1.00 0.00 O ATOM 0 H1 GLU A 1 0.116 12.557 -0.784 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.750 11.410 -1.688 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.429 12.935 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.822 10.841 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -0.957 13.646 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.551 13.105 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.648 11.712 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.012 11.907 2.528 1.00 0.00 H new ATOM 18 N ALA A 2 -3.014 9.811 0.328 1.00 0.00 N ATOM 19 CA ALA A 2 -4.297 9.147 0.132 1.00 0.00 C ATOM 20 C ALA A 2 -4.922 8.758 1.467 1.00 0.00 C ATOM 21 O ALA A 2 -5.888 9.375 1.916 1.00 0.00 O ATOM 22 CB ALA A 2 -4.125 7.921 -0.751 1.00 0.00 C ATOM 0 H ALA A 2 -2.289 9.217 0.731 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.970 9.846 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.090 7.434 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.729 8.223 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.433 7.225 -0.277 1.00 0.00 H new ATOM 28 N GLY A 3 -4.362 7.731 2.098 1.00 0.00 N ATOM 29 CA GLY A 3 -4.875 7.278 3.377 1.00 0.00 C ATOM 30 C GLY A 3 -3.916 7.565 4.515 1.00 0.00 C ATOM 31 O GLY A 3 -4.267 8.249 5.476 1.00 0.00 O ATOM 0 H GLY A 3 -3.562 7.205 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.829 7.766 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.069 6.206 3.329 1.00 0.00 H new ATOM 35 N GLU A 4 -2.699 7.042 4.404 1.00 0.00 N ATOM 36 CA GLU A 4 -1.684 7.247 5.430 1.00 0.00 C ATOM 37 C GLU A 4 -0.589 8.186 4.932 1.00 0.00 C ATOM 38 O GLU A 4 -0.524 8.505 3.745 1.00 0.00 O ATOM 39 CB GLU A 4 -1.072 5.910 5.850 1.00 0.00 C ATOM 40 CG GLU A 4 -1.931 5.132 6.834 1.00 0.00 C ATOM 41 CD GLU A 4 -1.106 4.377 7.859 1.00 0.00 C ATOM 42 OE1 GLU A 4 -0.364 5.031 8.621 1.00 0.00 O ATOM 43 OE2 GLU A 4 -1.204 3.133 7.899 1.00 0.00 O ATOM 0 H GLU A 4 -2.392 6.474 3.614 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.166 7.704 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.908 5.300 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.095 6.091 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.601 5.820 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.557 4.427 6.286 1.00 0.00 H new ATOM 50 N GLU A 5 0.268 8.625 5.847 1.00 0.00 N ATOM 51 CA GLU A 5 1.361 9.527 5.502 1.00 0.00 C ATOM 52 C GLU A 5 2.413 8.807 4.666 1.00 0.00 C ATOM 53 O GLU A 5 3.052 7.865 5.134 1.00 0.00 O ATOM 54 CB GLU A 5 2.001 10.091 6.771 1.00 0.00 C ATOM 55 CG GLU A 5 0.996 10.439 7.856 1.00 0.00 C ATOM 56 CD GLU A 5 1.597 11.293 8.956 1.00 0.00 C ATOM 57 OE1 GLU A 5 1.989 12.443 8.667 1.00 0.00 O ATOM 58 OE2 GLU A 5 1.676 10.811 10.105 1.00 0.00 O ATOM 0 H GLU A 5 0.227 8.371 6.834 1.00 0.00 H new ATOM 0 HA GLU A 5 0.952 10.348 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.710 9.363 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.570 10.984 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.154 10.968 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.602 9.520 8.289 1.00 0.00 H new ATOM 65 N CYS A 6 2.586 9.253 3.425 1.00 0.00 N ATOM 66 CA CYS A 6 3.559 8.643 2.526 1.00 0.00 C ATOM 67 C CYS A 6 3.242 8.978 1.072 1.00 0.00 C ATOM 68 O CYS A 6 2.225 8.542 0.532 1.00 0.00 O ATOM 69 CB CYS A 6 3.573 7.128 2.727 1.00 0.00 C ATOM 70 SG CYS A 6 4.294 6.184 1.347 1.00 0.00 S ATOM 0 H CYS A 6 2.067 10.032 3.021 1.00 0.00 H new ATOM 0 HA CYS A 6 4.545 9.045 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.131 6.901 3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.550 6.787 2.887 1.00 0.00 H new ATOM 75 N ASP A 7 4.117 9.757 0.445 1.00 0.00 N ATOM 76 CA ASP A 7 3.929 10.153 -0.946 1.00 0.00 C ATOM 77 C ASP A 7 4.153 8.973 -1.887 1.00 0.00 C ATOM 78 O ASP A 7 3.495 8.858 -2.920 1.00 0.00 O ATOM 79 CB ASP A 7 4.881 11.295 -1.305 1.00 0.00 C ATOM 80 CG ASP A 7 5.010 12.312 -0.188 1.00 0.00 C ATOM 81 OD1 ASP A 7 5.829 12.087 0.728 1.00 0.00 O ATOM 82 OD2 ASP A 7 4.293 13.334 -0.229 1.00 0.00 O ATOM 0 H ASP A 7 4.963 10.127 0.878 1.00 0.00 H new ATOM 0 HA ASP A 7 2.901 10.495 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.865 10.886 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.524 11.793 -2.206 1.00 0.00 H new ATOM 87 N CYS A 8 5.086 8.099 -1.523 1.00 0.00 N ATOM 88 CA CYS A 8 5.395 6.929 -2.338 1.00 0.00 C ATOM 89 C CYS A 8 4.404 5.787 -2.088 1.00 0.00 C ATOM 90 O CYS A 8 4.661 4.653 -2.482 1.00 0.00 O ATOM 91 CB CYS A 8 6.776 6.375 -2.007 1.00 0.00 C ATOM 92 SG CYS A 8 8.142 7.551 -1.760 1.00 0.00 S ATOM 0 H CYS A 8 5.640 8.178 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 8 5.343 7.267 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.685 5.776 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.063 5.696 -2.810 1.00 0.00 H new ATOM 97 N GLY A 9 3.297 6.068 -1.414 1.00 0.00 N ATOM 98 CA GLY A 9 2.336 5.031 -1.113 1.00 0.00 C ATOM 99 C GLY A 9 1.434 4.732 -2.277 1.00 0.00 C ATOM 100 O GLY A 9 0.339 5.285 -2.382 1.00 0.00 O ATOM 0 H GLY A 9 3.049 6.996 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.864 4.123 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.733 5.335 -0.258 1.00 0.00 H new ATOM 104 N SER A 10 1.887 3.857 -3.159 1.00 0.00 N ATOM 105 CA SER A 10 1.095 3.502 -4.313 1.00 0.00 C ATOM 106 C SER A 10 1.137 2.003 -4.576 1.00 0.00 C ATOM 107 O SER A 10 2.197 1.381 -4.508 1.00 0.00 O ATOM 108 CB SER A 10 1.571 4.268 -5.548 1.00 0.00 C ATOM 109 OG SER A 10 1.059 5.589 -5.559 1.00 0.00 O ATOM 0 H SER A 10 2.790 3.386 -3.095 1.00 0.00 H new ATOM 0 HA SER A 10 0.062 3.779 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.660 4.297 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.253 3.744 -6.449 1.00 0.00 H new ATOM 0 HG SER A 10 0.731 5.820 -4.665 1.00 0.00 H new ATOM 115 N PRO A 11 -0.019 1.402 -4.898 1.00 0.00 N ATOM 116 CA PRO A 11 -0.106 -0.029 -5.190 1.00 0.00 C ATOM 117 C PRO A 11 0.852 -0.413 -6.307 1.00 0.00 C ATOM 118 O PRO A 11 0.506 -0.356 -7.487 1.00 0.00 O ATOM 119 CB PRO A 11 -1.563 -0.234 -5.625 1.00 0.00 C ATOM 120 CG PRO A 11 -2.089 1.134 -5.910 1.00 0.00 C ATOM 121 CD PRO A 11 -1.321 2.069 -5.021 1.00 0.00 C ATOM 0 HA PRO A 11 0.166 -0.648 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.623 -0.870 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.142 -0.722 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.952 1.393 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.158 1.191 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.227 3.061 -5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.804 2.195 -4.052 1.00 0.00 H new ATOM 129 N GLY A 12 2.069 -0.772 -5.924 1.00 0.00 N ATOM 130 CA GLY A 12 3.082 -1.125 -6.899 1.00 0.00 C ATOM 131 C GLY A 12 4.333 -0.297 -6.702 1.00 0.00 C ATOM 132 O GLY A 12 5.400 -0.623 -7.222 1.00 0.00 O ATOM 0 H GLY A 12 2.374 -0.825 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.324 -2.184 -6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.693 -0.970 -7.905 1.00 0.00 H new ATOM 136 N ASN A 13 4.189 0.775 -5.925 1.00 0.00 N ATOM 137 CA ASN A 13 5.294 1.668 -5.612 1.00 0.00 C ATOM 138 C ASN A 13 5.517 1.681 -4.105 1.00 0.00 C ATOM 139 O ASN A 13 5.415 2.717 -3.453 1.00 0.00 O ATOM 140 CB ASN A 13 5.006 3.083 -6.117 1.00 0.00 C ATOM 141 CG ASN A 13 4.335 3.086 -7.477 1.00 0.00 C ATOM 142 OD1 ASN A 13 3.967 2.035 -8.003 1.00 0.00 O ATOM 143 ND2 ASN A 13 4.172 4.271 -8.054 1.00 0.00 N ATOM 0 H ASN A 13 3.303 1.045 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 13 6.194 1.309 -6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.369 3.599 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.940 3.642 -6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.727 4.336 -8.969 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.492 5.117 -7.582 1.00 0.00 H new ATOM 150 N PRO A 14 5.830 0.509 -3.546 1.00 0.00 N ATOM 151 CA PRO A 14 6.084 0.303 -2.129 1.00 0.00 C ATOM 152 C PRO A 14 6.596 1.544 -1.411 1.00 0.00 C ATOM 153 O PRO A 14 7.803 1.749 -1.340 1.00 0.00 O ATOM 154 CB PRO A 14 7.167 -0.791 -2.154 1.00 0.00 C ATOM 155 CG PRO A 14 7.197 -1.313 -3.568 1.00 0.00 C ATOM 156 CD PRO A 14 5.988 -0.748 -4.254 1.00 0.00 C ATOM 0 HA PRO A 14 5.176 0.045 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.137 -0.386 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.933 -1.588 -1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.111 -1.006 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.177 -2.403 -3.580 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.150 -0.602 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.115 -1.393 -4.149 1.00 0.00 H new ATOM 164 N CYS A 15 5.661 2.346 -0.861 1.00 0.00 N ATOM 165 CA CYS A 15 5.990 3.574 -0.122 1.00 0.00 C ATOM 166 C CYS A 15 7.434 3.978 -0.307 1.00 0.00 C ATOM 167 O CYS A 15 8.140 4.243 0.663 1.00 0.00 O ATOM 168 CB CYS A 15 5.678 3.463 1.374 1.00 0.00 C ATOM 169 SG CYS A 15 5.717 5.059 2.255 1.00 0.00 S ATOM 0 H CYS A 15 4.660 2.158 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 15 5.351 4.348 -0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.692 3.015 1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.396 2.786 1.836 1.00 0.00 H new ATOM 174 N CYS A 16 7.819 4.071 -1.578 1.00 0.00 N ATOM 175 CA CYS A 16 9.144 4.502 -1.996 1.00 0.00 C ATOM 176 C CYS A 16 9.946 3.377 -2.641 1.00 0.00 C ATOM 177 O CYS A 16 9.882 2.223 -2.224 1.00 0.00 O ATOM 178 CB CYS A 16 9.925 5.145 -0.850 1.00 0.00 C ATOM 179 SG CYS A 16 9.207 6.719 -0.220 1.00 0.00 S ATOM 0 H CYS A 16 7.204 3.843 -2.359 1.00 0.00 H new ATOM 0 HA CYS A 16 8.987 5.264 -2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.987 4.434 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.945 5.335 -1.185 1.00 0.00 H new ATOM 184 N ASP A 17 10.697 3.741 -3.678 1.00 0.00 N ATOM 185 CA ASP A 17 11.526 2.791 -4.418 1.00 0.00 C ATOM 186 C ASP A 17 12.442 3.523 -5.402 1.00 0.00 C ATOM 187 O ASP A 17 13.561 3.081 -5.670 1.00 0.00 O ATOM 188 CB ASP A 17 10.649 1.788 -5.169 1.00 0.00 C ATOM 189 CG ASP A 17 9.425 2.437 -5.785 1.00 0.00 C ATOM 190 OD1 ASP A 17 8.480 2.757 -5.033 1.00 0.00 O ATOM 191 OD2 ASP A 17 9.411 2.626 -7.020 1.00 0.00 O ATOM 0 H ASP A 17 10.749 4.698 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 17 12.145 2.252 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.237 1.311 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.334 1.001 -4.484 1.00 0.00 H new ATOM 196 N ALA A 18 11.948 4.641 -5.943 1.00 0.00 N ATOM 197 CA ALA A 18 12.701 5.456 -6.899 1.00 0.00 C ATOM 198 C ALA A 18 13.495 4.610 -7.890 1.00 0.00 C ATOM 199 O ALA A 18 14.472 5.080 -8.474 1.00 0.00 O ATOM 200 CB ALA A 18 13.632 6.402 -6.156 1.00 0.00 C ATOM 0 H ALA A 18 11.019 5.005 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 18 11.976 6.030 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.188 7.004 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.046 7.056 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.330 5.824 -5.550 1.00 0.00 H new ATOM 206 N ALA A 19 13.074 3.368 -8.085 1.00 0.00 N ATOM 207 CA ALA A 19 13.746 2.472 -9.011 1.00 0.00 C ATOM 208 C ALA A 19 12.951 1.187 -9.168 1.00 0.00 C ATOM 209 O ALA A 19 12.553 0.813 -10.271 1.00 0.00 O ATOM 210 CB ALA A 19 15.157 2.171 -8.529 1.00 0.00 C ATOM 0 H ALA A 19 12.268 2.959 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 19 13.812 2.960 -9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.647 1.499 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.724 3.100 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.113 1.699 -7.548 1.00 0.00 H new ATOM 216 N THR A 20 12.725 0.519 -8.043 1.00 0.00 N ATOM 217 CA THR A 20 11.975 -0.730 -8.028 1.00 0.00 C ATOM 218 C THR A 20 11.682 -1.158 -6.595 1.00 0.00 C ATOM 219 O THR A 20 12.451 -0.856 -5.684 1.00 0.00 O ATOM 220 CB THR A 20 12.756 -1.828 -8.751 1.00 0.00 C ATOM 221 OG1 THR A 20 14.105 -1.442 -8.941 1.00 0.00 O ATOM 222 CG2 THR A 20 12.183 -2.176 -10.108 1.00 0.00 C ATOM 0 H THR A 20 13.052 0.823 -7.126 1.00 0.00 H new ATOM 0 HA THR A 20 11.030 -0.569 -8.547 1.00 0.00 H new ATOM 0 HB THR A 20 12.683 -2.705 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.588 -2.158 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.784 -2.961 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.157 -2.526 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.194 -1.292 -10.745 1.00 0.00 H new ATOM 230 N CYS A 21 10.573 -1.864 -6.401 1.00 0.00 N ATOM 231 CA CYS A 21 10.194 -2.333 -5.075 1.00 0.00 C ATOM 232 C CYS A 21 11.412 -2.876 -4.331 1.00 0.00 C ATOM 233 O CYS A 21 11.736 -4.060 -4.432 1.00 0.00 O ATOM 234 CB CYS A 21 9.112 -3.412 -5.189 1.00 0.00 C ATOM 235 SG CYS A 21 7.615 -2.868 -6.077 1.00 0.00 S ATOM 0 H CYS A 21 9.923 -2.123 -7.143 1.00 0.00 H new ATOM 0 HA CYS A 21 9.793 -1.493 -4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.530 -4.279 -5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.830 -3.737 -4.187 1.00 0.00 H new ATOM 240 N LYS A 22 12.091 -1.999 -3.592 1.00 0.00 N ATOM 241 CA LYS A 22 13.282 -2.389 -2.844 1.00 0.00 C ATOM 242 C LYS A 22 13.729 -1.283 -1.891 1.00 0.00 C ATOM 243 O LYS A 22 14.925 -1.050 -1.717 1.00 0.00 O ATOM 244 CB LYS A 22 14.418 -2.727 -3.812 1.00 0.00 C ATOM 245 CG LYS A 22 15.098 -1.502 -4.402 1.00 0.00 C ATOM 246 CD LYS A 22 16.607 -1.567 -4.235 1.00 0.00 C ATOM 247 CE LYS A 22 17.329 -1.109 -5.492 1.00 0.00 C ATOM 248 NZ LYS A 22 18.109 0.138 -5.262 1.00 0.00 N ATOM 0 H LYS A 22 11.836 -1.016 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 22 13.032 -3.268 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.162 -3.329 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.023 -3.339 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.851 -1.422 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.716 -0.604 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.908 -0.942 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.904 -2.588 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.999 -1.898 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.602 -0.941 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.586 0.417 -6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.467 0.899 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.820 -0.029 -4.521 1.00 0.00 H new ATOM 262 N LEU A 23 12.766 -0.600 -1.278 1.00 0.00 N ATOM 263 CA LEU A 23 13.078 0.484 -0.347 1.00 0.00 C ATOM 264 C LEU A 23 13.706 -0.048 0.936 1.00 0.00 C ATOM 265 O LEU A 23 13.230 -1.021 1.521 1.00 0.00 O ATOM 266 CB LEU A 23 11.826 1.311 -0.023 1.00 0.00 C ATOM 267 CG LEU A 23 10.762 0.633 0.850 1.00 0.00 C ATOM 268 CD1 LEU A 23 9.451 1.397 0.760 1.00 0.00 C ATOM 269 CD2 LEU A 23 10.554 -0.815 0.438 1.00 0.00 C ATOM 0 H LEU A 23 11.769 -0.775 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 23 13.804 1.133 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.142 2.227 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.359 1.605 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 23 11.113 0.642 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.702 0.908 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.601 2.419 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.109 1.412 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.794 -1.269 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.227 -0.854 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.491 -1.362 0.545 1.00 0.00 H new ATOM 281 N ARG A 24 14.785 0.601 1.365 1.00 0.00 N ATOM 282 CA ARG A 24 15.491 0.199 2.576 1.00 0.00 C ATOM 283 C ARG A 24 14.612 0.391 3.805 1.00 0.00 C ATOM 284 O ARG A 24 14.923 -0.104 4.889 1.00 0.00 O ATOM 285 CB ARG A 24 16.785 1.000 2.729 1.00 0.00 C ATOM 286 CG ARG A 24 17.779 0.771 1.602 1.00 0.00 C ATOM 287 CD ARG A 24 19.162 0.438 2.139 1.00 0.00 C ATOM 288 NE ARG A 24 19.121 -0.627 3.137 1.00 0.00 N ATOM 289 CZ ARG A 24 18.979 -1.913 2.836 1.00 0.00 C ATOM 290 NH1 ARG A 24 18.864 -2.291 1.571 1.00 0.00 N ATOM 291 NH2 ARG A 24 18.952 -2.823 3.801 1.00 0.00 N ATOM 0 H ARG A 24 15.189 1.408 0.891 1.00 0.00 H new ATOM 0 HA ARG A 24 15.737 -0.859 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.542 2.061 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.256 0.737 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.429 -0.042 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.835 1.663 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 24 19.808 0.137 1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 24 19.604 1.331 2.580 1.00 0.00 H new ATOM 0 HE ARG A 24 19.206 -0.369 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.884 -1.594 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.755 -3.279 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.040 -2.536 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.843 -3.810 3.568 1.00 0.00 H new ATOM 305 N GLN A 25 13.512 1.108 3.626 1.00 0.00 N ATOM 306 CA GLN A 25 12.580 1.363 4.716 1.00 0.00 C ATOM 307 C GLN A 25 11.646 0.179 4.905 1.00 0.00 C ATOM 308 O GLN A 25 11.928 -0.736 5.678 1.00 0.00 O ATOM 309 CB GLN A 25 11.772 2.633 4.441 1.00 0.00 C ATOM 310 CG GLN A 25 12.351 3.875 5.099 1.00 0.00 C ATOM 311 CD GLN A 25 11.708 4.179 6.438 1.00 0.00 C ATOM 312 OE1 GLN A 25 11.121 5.244 6.631 1.00 0.00 O ATOM 313 NE2 GLN A 25 11.816 3.241 7.372 1.00 0.00 N ATOM 0 H GLN A 25 13.242 1.524 2.735 1.00 0.00 H new ATOM 0 HA GLN A 25 13.153 1.504 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.718 2.794 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.751 2.488 4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.424 3.742 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.219 4.729 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.312 2.373 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.403 3.389 8.293 1.00 0.00 H new ATOM 322 N GLY A 26 10.538 0.207 4.187 1.00 0.00 N ATOM 323 CA GLY A 26 9.569 -0.867 4.272 1.00 0.00 C ATOM 324 C GLY A 26 8.143 -0.376 4.138 1.00 0.00 C ATOM 325 O GLY A 26 7.441 -0.203 5.134 1.00 0.00 O ATOM 0 H GLY A 26 10.289 0.957 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.773 -1.598 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.684 -1.381 5.226 1.00 0.00 H new ATOM 329 N ALA A 27 7.721 -0.134 2.902 1.00 0.00 N ATOM 330 CA ALA A 27 6.378 0.360 2.615 1.00 0.00 C ATOM 331 C ALA A 27 5.251 -0.639 2.937 1.00 0.00 C ATOM 332 O ALA A 27 4.273 -0.712 2.196 1.00 0.00 O ATOM 333 CB ALA A 27 6.302 0.734 1.151 1.00 0.00 C ATOM 0 H ALA A 27 8.298 -0.274 2.072 1.00 0.00 H new ATOM 0 HA ALA A 27 6.218 1.219 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.303 1.105 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.036 1.510 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.512 -0.144 0.540 1.00 0.00 H new ATOM 339 N GLN A 28 5.368 -1.405 4.021 1.00 0.00 N ATOM 340 CA GLN A 28 4.331 -2.373 4.374 1.00 0.00 C ATOM 341 C GLN A 28 2.976 -1.714 4.616 1.00 0.00 C ATOM 342 O GLN A 28 2.635 -1.367 5.747 1.00 0.00 O ATOM 343 CB GLN A 28 4.729 -3.174 5.607 1.00 0.00 C ATOM 344 CG GLN A 28 6.223 -3.347 5.761 1.00 0.00 C ATOM 345 CD GLN A 28 6.845 -2.294 6.657 1.00 0.00 C ATOM 346 OE1 GLN A 28 6.204 -1.305 7.010 1.00 0.00 O ATOM 347 NE2 GLN A 28 8.102 -2.504 7.032 1.00 0.00 N ATOM 0 H GLN A 28 6.160 -1.375 4.663 1.00 0.00 H new ATOM 0 HA GLN A 28 4.234 -3.042 3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.336 -2.678 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.261 -4.157 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.430 -4.335 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.693 -3.305 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.596 -3.338 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.573 -1.831 7.637 1.00 0.00 H new ATOM 356 N CYS A 29 2.202 -1.562 3.548 1.00 0.00 N ATOM 357 CA CYS A 29 0.875 -0.965 3.637 1.00 0.00 C ATOM 358 C CYS A 29 0.961 0.466 4.125 1.00 0.00 C ATOM 359 O CYS A 29 0.359 0.828 5.136 1.00 0.00 O ATOM 360 CB CYS A 29 -0.026 -1.775 4.570 1.00 0.00 C ATOM 361 SG CYS A 29 -0.694 -3.297 3.826 1.00 0.00 S ATOM 0 H CYS A 29 2.472 -1.845 2.606 1.00 0.00 H new ATOM 0 HA CYS A 29 0.441 -0.972 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.539 -2.039 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.856 -1.146 4.891 1.00 0.00 H new ATOM 366 N ALA A 30 1.705 1.280 3.397 1.00 0.00 N ATOM 367 CA ALA A 30 1.855 2.678 3.758 1.00 0.00 C ATOM 368 C ALA A 30 0.706 3.491 3.181 1.00 0.00 C ATOM 369 O ALA A 30 -0.388 2.965 2.977 1.00 0.00 O ATOM 370 CB ALA A 30 3.191 3.218 3.273 1.00 0.00 C ATOM 0 H ALA A 30 2.212 0.999 2.557 1.00 0.00 H new ATOM 0 HA ALA A 30 1.832 2.762 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.283 4.267 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.001 2.648 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.248 3.126 2.188 1.00 0.00 H new ATOM 376 N GLU A 31 0.952 4.765 2.897 1.00 0.00 N ATOM 377 CA GLU A 31 -0.083 5.613 2.317 1.00 0.00 C ATOM 378 C GLU A 31 -0.832 4.820 1.256 1.00 0.00 C ATOM 379 O GLU A 31 -2.026 5.015 1.030 1.00 0.00 O ATOM 380 CB GLU A 31 0.530 6.874 1.703 1.00 0.00 C ATOM 381 CG GLU A 31 -0.452 7.684 0.872 1.00 0.00 C ATOM 382 CD GLU A 31 -0.001 7.855 -0.565 1.00 0.00 C ATOM 383 OE1 GLU A 31 1.002 7.220 -0.953 1.00 0.00 O ATOM 384 OE2 GLU A 31 -0.651 8.625 -1.304 1.00 0.00 O ATOM 0 H GLU A 31 1.846 5.229 3.056 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.774 5.925 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.923 7.503 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.375 6.589 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.425 7.194 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.583 8.666 1.327 1.00 0.00 H new ATOM 391 N GLY A 32 -0.103 3.904 0.629 1.00 0.00 N ATOM 392 CA GLY A 32 -0.668 3.046 -0.388 1.00 0.00 C ATOM 393 C GLY A 32 0.013 1.692 -0.395 1.00 0.00 C ATOM 394 O GLY A 32 1.178 1.580 -0.014 1.00 0.00 O ATOM 0 H GLY A 32 0.887 3.741 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.736 2.919 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.561 3.516 -1.366 1.00 0.00 H new ATOM 398 N LEU A 33 -0.711 0.661 -0.805 1.00 0.00 N ATOM 399 CA LEU A 33 -0.161 -0.688 -0.832 1.00 0.00 C ATOM 400 C LEU A 33 1.308 -0.689 -1.259 1.00 0.00 C ATOM 401 O LEU A 33 1.799 0.277 -1.843 1.00 0.00 O ATOM 402 CB LEU A 33 -0.978 -1.577 -1.767 1.00 0.00 C ATOM 403 CG LEU A 33 -1.314 -2.959 -1.206 1.00 0.00 C ATOM 404 CD1 LEU A 33 -0.128 -3.897 -1.363 1.00 0.00 C ATOM 405 CD2 LEU A 33 -1.723 -2.855 0.256 1.00 0.00 C ATOM 0 H LEU A 33 -1.678 0.731 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.216 -1.086 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.908 -1.064 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.427 -1.703 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.153 -3.367 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.383 -4.877 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.122 -3.994 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.729 -3.494 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.959 -3.848 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.903 -2.428 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.601 -2.214 0.344 1.00 0.00 H new ATOM 417 N CYS A 34 2.000 -1.788 -0.963 1.00 0.00 N ATOM 418 CA CYS A 34 3.412 -1.937 -1.309 1.00 0.00 C ATOM 419 C CYS A 34 3.629 -3.199 -2.135 1.00 0.00 C ATOM 420 O CYS A 34 2.760 -4.069 -2.198 1.00 0.00 O ATOM 421 CB CYS A 34 4.272 -1.963 -0.032 1.00 0.00 C ATOM 422 SG CYS A 34 5.654 -3.157 -0.035 1.00 0.00 S ATOM 0 H CYS A 34 1.602 -2.594 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 34 3.717 -1.082 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.678 -0.965 0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.625 -2.186 0.816 1.00 0.00 H new ATOM 427 N CYS A 35 4.790 -3.289 -2.773 1.00 0.00 N ATOM 428 CA CYS A 35 5.107 -4.446 -3.599 1.00 0.00 C ATOM 429 C CYS A 35 6.492 -5.014 -3.277 1.00 0.00 C ATOM 430 O CYS A 35 6.860 -6.083 -3.764 1.00 0.00 O ATOM 431 CB CYS A 35 5.000 -4.068 -5.090 1.00 0.00 C ATOM 432 SG CYS A 35 6.438 -4.523 -6.126 1.00 0.00 S ATOM 0 H CYS A 35 5.522 -2.580 -2.735 1.00 0.00 H new ATOM 0 HA CYS A 35 4.383 -5.230 -3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.111 -4.544 -5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.848 -2.991 -5.163 1.00 0.00 H new ATOM 437 N ASP A 36 7.256 -4.292 -2.472 1.00 0.00 N ATOM 438 CA ASP A 36 8.599 -4.719 -2.102 1.00 0.00 C ATOM 439 C ASP A 36 8.575 -5.611 -0.869 1.00 0.00 C ATOM 440 O ASP A 36 7.556 -5.718 -0.185 1.00 0.00 O ATOM 441 CB ASP A 36 9.478 -3.494 -1.835 1.00 0.00 C ATOM 442 CG ASP A 36 10.918 -3.862 -1.547 1.00 0.00 C ATOM 443 OD1 ASP A 36 11.430 -4.804 -2.189 1.00 0.00 O ATOM 444 OD2 ASP A 36 11.535 -3.211 -0.678 1.00 0.00 O ATOM 0 H ASP A 36 6.969 -3.404 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 36 9.011 -5.294 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.442 -2.831 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.073 -2.938 -0.989 1.00 0.00 H new ATOM 449 N GLN A 37 9.713 -6.238 -0.577 1.00 0.00 N ATOM 450 CA GLN A 37 9.827 -7.103 0.587 1.00 0.00 C ATOM 451 C GLN A 37 9.193 -6.438 1.803 1.00 0.00 C ATOM 452 O GLN A 37 8.789 -7.118 2.745 1.00 0.00 O ATOM 453 CB GLN A 37 11.295 -7.425 0.871 1.00 0.00 C ATOM 454 CG GLN A 37 12.096 -7.759 -0.376 1.00 0.00 C ATOM 455 CD GLN A 37 11.398 -8.771 -1.264 1.00 0.00 C ATOM 456 OE1 GLN A 37 10.231 -8.604 -1.616 1.00 0.00 O ATOM 457 NE2 GLN A 37 12.113 -9.828 -1.630 1.00 0.00 N ATOM 0 H GLN A 37 10.566 -6.161 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 37 9.299 -8.034 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.755 -6.573 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.347 -8.266 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.275 -6.846 -0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.071 -8.149 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.078 -9.925 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.697 -10.543 -2.227 1.00 0.00 H new ATOM 466 N CYS A 38 9.118 -5.101 1.758 1.00 0.00 N ATOM 467 CA CYS A 38 8.538 -4.294 2.831 1.00 0.00 C ATOM 468 C CYS A 38 7.712 -5.132 3.800 1.00 0.00 C ATOM 469 O CYS A 38 7.930 -5.070 5.007 1.00 0.00 O ATOM 470 CB CYS A 38 7.692 -3.158 2.233 1.00 0.00 C ATOM 471 SG CYS A 38 5.945 -3.578 1.926 1.00 0.00 S ATOM 0 H CYS A 38 9.461 -4.550 0.971 1.00 0.00 H new ATOM 0 HA CYS A 38 9.359 -3.866 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.731 -2.302 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.145 -2.844 1.293 1.00 0.00 H new ATOM 476 N ARG A 39 6.771 -5.906 3.257 1.00 0.00 N ATOM 477 CA ARG A 39 5.887 -6.762 4.056 1.00 0.00 C ATOM 478 C ARG A 39 4.514 -6.118 4.143 1.00 0.00 C ATOM 479 O ARG A 39 4.288 -5.073 3.541 1.00 0.00 O ATOM 480 CB ARG A 39 6.447 -7.014 5.459 1.00 0.00 C ATOM 481 CG ARG A 39 5.918 -8.283 6.106 1.00 0.00 C ATOM 482 CD ARG A 39 7.037 -9.087 6.750 1.00 0.00 C ATOM 483 NE ARG A 39 6.522 -10.151 7.607 1.00 0.00 N ATOM 484 CZ ARG A 39 5.927 -9.930 8.775 1.00 0.00 C ATOM 485 NH1 ARG A 39 5.775 -8.690 9.220 1.00 0.00 N ATOM 486 NH2 ARG A 39 5.483 -10.949 9.498 1.00 0.00 N ATOM 0 H ARG A 39 6.599 -5.959 2.253 1.00 0.00 H new ATOM 0 HA ARG A 39 5.813 -7.731 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.534 -7.071 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.205 -6.163 6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.173 -8.026 6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.415 -8.893 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.666 -9.520 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.669 -8.422 7.338 1.00 0.00 H new ATOM 0 HE ARG A 39 6.624 -11.116 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.115 -7.904 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.318 -8.522 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.598 -11.904 9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.027 -10.778 10.394 1.00 0.00 H new ATOM 500 N PHE A 40 3.582 -6.738 4.859 1.00 0.00 N ATOM 501 CA PHE A 40 2.239 -6.178 4.953 1.00 0.00 C ATOM 502 C PHE A 40 1.496 -6.658 6.194 1.00 0.00 C ATOM 503 O PHE A 40 1.622 -7.809 6.611 1.00 0.00 O ATOM 504 CB PHE A 40 1.464 -6.513 3.678 1.00 0.00 C ATOM 505 CG PHE A 40 2.256 -6.181 2.450 1.00 0.00 C ATOM 506 CD1 PHE A 40 3.181 -7.079 1.938 1.00 0.00 C ATOM 507 CD2 PHE A 40 2.119 -4.948 1.839 1.00 0.00 C ATOM 508 CE1 PHE A 40 3.952 -6.751 0.844 1.00 0.00 C ATOM 509 CE2 PHE A 40 2.878 -4.621 0.740 1.00 0.00 C ATOM 510 CZ PHE A 40 3.799 -5.519 0.242 1.00 0.00 C ATOM 0 H PHE A 40 3.726 -7.608 5.372 1.00 0.00 H new ATOM 0 HA PHE A 40 2.325 -5.096 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.211 -7.573 3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.524 -5.961 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.298 -8.047 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.408 -4.234 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.674 -7.456 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.753 -3.659 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.399 -5.258 -0.617 1.00 0.00 H new ATOM 520 N MET A 41 0.733 -5.743 6.784 1.00 0.00 N ATOM 521 CA MET A 41 -0.034 -6.020 7.991 1.00 0.00 C ATOM 522 C MET A 41 -0.814 -7.328 7.890 1.00 0.00 C ATOM 523 O MET A 41 -0.310 -8.381 8.273 1.00 0.00 O ATOM 524 CB MET A 41 -0.994 -4.862 8.275 1.00 0.00 C ATOM 525 CG MET A 41 -0.516 -3.934 9.379 1.00 0.00 C ATOM 526 SD MET A 41 0.675 -2.713 8.795 1.00 0.00 S ATOM 527 CE MET A 41 1.048 -1.848 10.318 1.00 0.00 C ATOM 0 H MET A 41 0.630 -4.789 6.438 1.00 0.00 H new ATOM 0 HA MET A 41 0.675 -6.124 8.813 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.134 -4.284 7.361 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.968 -5.267 8.548 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.374 -3.420 9.813 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.063 -4.526 10.175 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.774 -1.059 10.120 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.135 -1.409 10.720 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.463 -2.549 11.042 1.00 0.00 H new ATOM 537 N LYS A 42 -2.050 -7.227 7.388 1.00 0.00 N ATOM 538 CA LYS A 42 -2.964 -8.364 7.232 1.00 0.00 C ATOM 539 C LYS A 42 -4.353 -7.966 7.711 1.00 0.00 C ATOM 540 O LYS A 42 -5.349 -8.608 7.381 1.00 0.00 O ATOM 541 CB LYS A 42 -2.494 -9.602 8.002 1.00 0.00 C ATOM 542 CG LYS A 42 -1.522 -10.474 7.222 1.00 0.00 C ATOM 543 CD LYS A 42 -2.173 -11.059 5.981 1.00 0.00 C ATOM 544 CE LYS A 42 -1.167 -11.831 5.141 1.00 0.00 C ATOM 545 NZ LYS A 42 -0.911 -13.191 5.691 1.00 0.00 N ATOM 0 H LYS A 42 -2.449 -6.342 7.075 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.984 -8.625 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.019 -9.283 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.363 -10.199 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.652 -9.884 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.162 -11.281 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.989 -11.720 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.609 -10.258 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.537 -11.916 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.230 -11.276 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.220 -13.684 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.534 -13.110 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.800 -13.730 5.711 1.00 0.00 H new ATOM 559 N GLU A 43 -4.402 -6.888 8.485 1.00 0.00 N ATOM 560 CA GLU A 43 -5.657 -6.370 9.009 1.00 0.00 C ATOM 561 C GLU A 43 -5.926 -4.992 8.430 1.00 0.00 C ATOM 562 O GLU A 43 -5.020 -4.168 8.332 1.00 0.00 O ATOM 563 CB GLU A 43 -5.622 -6.299 10.532 1.00 0.00 C ATOM 564 CG GLU A 43 -6.654 -5.350 11.121 1.00 0.00 C ATOM 565 CD GLU A 43 -6.481 -5.153 12.614 1.00 0.00 C ATOM 566 OE1 GLU A 43 -5.358 -5.369 13.116 1.00 0.00 O ATOM 567 OE2 GLU A 43 -7.470 -4.784 13.283 1.00 0.00 O ATOM 0 H GLU A 43 -3.580 -6.353 8.764 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.459 -7.048 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.785 -7.297 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.628 -5.984 10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.582 -4.385 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.653 -5.738 10.923 1.00 0.00 H new ATOM 574 N GLY A 44 -7.171 -4.772 8.029 1.00 0.00 N ATOM 575 CA GLY A 44 -7.581 -3.515 7.428 1.00 0.00 C ATOM 576 C GLY A 44 -6.661 -2.350 7.692 1.00 0.00 C ATOM 577 O GLY A 44 -6.960 -1.496 8.527 1.00 0.00 O ATOM 0 H GLY A 44 -7.921 -5.459 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.664 -3.655 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.576 -3.262 7.794 1.00 0.00 H new ATOM 581 N THR A 45 -5.551 -2.289 6.966 1.00 0.00 N ATOM 582 CA THR A 45 -4.624 -1.185 7.137 1.00 0.00 C ATOM 583 C THR A 45 -4.840 -0.140 6.047 1.00 0.00 C ATOM 584 O THR A 45 -5.448 0.902 6.285 1.00 0.00 O ATOM 585 CB THR A 45 -3.187 -1.690 7.142 1.00 0.00 C ATOM 586 OG1 THR A 45 -3.090 -2.911 7.854 1.00 0.00 O ATOM 587 CG2 THR A 45 -2.220 -0.714 7.767 1.00 0.00 C ATOM 0 H THR A 45 -5.277 -2.979 6.266 1.00 0.00 H new ATOM 0 HA THR A 45 -4.814 -0.712 8.101 1.00 0.00 H new ATOM 0 HB THR A 45 -2.918 -1.823 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.954 -3.118 8.267 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.213 -1.132 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.239 0.223 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.508 -0.528 8.802 1.00 0.00 H new ATOM 595 N ILE A 46 -4.360 -0.440 4.853 1.00 0.00 N ATOM 596 CA ILE A 46 -4.511 0.451 3.708 1.00 0.00 C ATOM 597 C ILE A 46 -4.081 -0.241 2.408 1.00 0.00 C ATOM 598 O ILE A 46 -2.893 -0.323 2.097 1.00 0.00 O ATOM 599 CB ILE A 46 -3.731 1.786 3.912 1.00 0.00 C ATOM 600 CG1 ILE A 46 -4.713 2.922 4.208 1.00 0.00 C ATOM 601 CG2 ILE A 46 -2.870 2.147 2.703 1.00 0.00 C ATOM 602 CD1 ILE A 46 -4.796 3.290 5.673 1.00 0.00 C ATOM 0 H ILE A 46 -3.856 -1.303 4.647 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.570 0.698 3.626 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.059 1.644 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.418 3.803 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.704 2.633 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.348 3.084 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.142 1.356 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.505 2.259 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.511 4.102 5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.121 2.423 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.815 3.611 6.024 1.00 0.00 H new ATOM 614 N CYS A 47 -5.063 -0.721 1.647 1.00 0.00 N ATOM 615 CA CYS A 47 -4.793 -1.382 0.373 1.00 0.00 C ATOM 616 C CYS A 47 -4.888 -0.371 -0.772 1.00 0.00 C ATOM 617 O CYS A 47 -4.719 -0.726 -1.938 1.00 0.00 O ATOM 618 CB CYS A 47 -5.772 -2.552 0.168 1.00 0.00 C ATOM 619 SG CYS A 47 -6.399 -2.774 -1.536 1.00 0.00 S ATOM 0 H CYS A 47 -6.052 -0.664 1.891 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.781 -1.787 0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.278 -3.473 0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.624 -2.409 0.833 1.00 0.00 H new ATOM 624 N ARG A 48 -5.152 0.892 -0.411 1.00 0.00 N ATOM 625 CA ARG A 48 -5.283 1.995 -1.373 1.00 0.00 C ATOM 626 C ARG A 48 -4.921 1.568 -2.791 1.00 0.00 C ATOM 627 O ARG A 48 -3.751 1.570 -3.175 1.00 0.00 O ATOM 628 CB ARG A 48 -4.380 3.156 -0.955 1.00 0.00 C ATOM 629 CG ARG A 48 -4.545 3.573 0.498 1.00 0.00 C ATOM 630 CD ARG A 48 -5.154 4.960 0.616 1.00 0.00 C ATOM 631 NE ARG A 48 -6.279 4.988 1.545 1.00 0.00 N ATOM 632 CZ ARG A 48 -7.254 5.890 1.495 1.00 0.00 C ATOM 633 NH1 ARG A 48 -7.245 6.826 0.556 1.00 0.00 N ATOM 634 NH2 ARG A 48 -8.239 5.855 2.381 1.00 0.00 N ATOM 0 H ARG A 48 -5.281 1.178 0.559 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.328 2.304 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.341 2.875 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.588 4.014 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.178 2.852 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.575 3.558 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.391 5.663 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.487 5.294 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.319 4.275 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.490 6.854 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.994 7.518 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.250 5.135 3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.986 6.548 2.341 1.00 0.00 H new ATOM 648 N ARG A 49 -5.936 1.186 -3.560 1.00 0.00 N ATOM 649 CA ARG A 49 -5.730 0.736 -4.932 1.00 0.00 C ATOM 650 C ARG A 49 -5.355 1.888 -5.858 1.00 0.00 C ATOM 651 O ARG A 49 -4.825 1.670 -6.948 1.00 0.00 O ATOM 652 CB ARG A 49 -6.986 0.034 -5.446 1.00 0.00 C ATOM 653 CG ARG A 49 -7.732 -0.727 -4.364 1.00 0.00 C ATOM 654 CD ARG A 49 -8.125 -2.120 -4.831 1.00 0.00 C ATOM 655 NE ARG A 49 -8.762 -2.098 -6.145 1.00 0.00 N ATOM 656 CZ ARG A 49 -10.063 -1.895 -6.330 1.00 0.00 C ATOM 657 NH1 ARG A 49 -10.859 -1.695 -5.288 1.00 0.00 N ATOM 658 NH2 ARG A 49 -10.568 -1.892 -7.556 1.00 0.00 N ATOM 0 H ARG A 49 -6.910 1.179 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.897 0.034 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.654 0.775 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.708 -0.657 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.106 -0.803 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.626 -0.172 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.239 -2.753 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.805 -2.567 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.176 -2.247 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.473 -1.697 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.857 -1.539 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.958 -2.046 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.566 -1.736 -7.696 1.00 0.00 H new ATOM 672 N ALA A 50 -5.627 3.108 -5.423 1.00 0.00 N ATOM 673 CA ALA A 50 -5.307 4.287 -6.223 1.00 0.00 C ATOM 674 C ALA A 50 -5.500 5.574 -5.428 1.00 0.00 C ATOM 675 O ALA A 50 -5.758 5.541 -4.224 1.00 0.00 O ATOM 676 CB ALA A 50 -6.153 4.312 -7.487 1.00 0.00 C ATOM 0 H ALA A 50 -6.066 3.311 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.255 4.225 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.904 5.196 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.953 3.417 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.209 4.341 -7.218 1.00 0.00 H new ATOM 682 N ARG A 51 -5.373 6.707 -6.112 1.00 0.00 N ATOM 683 CA ARG A 51 -5.533 8.010 -5.477 1.00 0.00 C ATOM 684 C ARG A 51 -6.287 8.974 -6.388 1.00 0.00 C ATOM 685 O ARG A 51 -7.507 9.108 -6.290 1.00 0.00 O ATOM 686 CB ARG A 51 -4.166 8.597 -5.118 1.00 0.00 C ATOM 687 CG ARG A 51 -3.901 8.650 -3.623 1.00 0.00 C ATOM 688 CD ARG A 51 -3.790 10.084 -3.129 1.00 0.00 C ATOM 689 NE ARG A 51 -4.765 10.960 -3.770 1.00 0.00 N ATOM 690 CZ ARG A 51 -6.050 11.005 -3.432 1.00 0.00 C ATOM 691 NH1 ARG A 51 -6.510 10.226 -2.463 1.00 0.00 N ATOM 692 NH2 ARG A 51 -6.875 11.829 -4.063 1.00 0.00 N ATOM 0 H ARG A 51 -5.159 6.748 -7.108 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.114 7.871 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.388 8.002 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.094 9.605 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.705 8.142 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.980 8.113 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.936 10.108 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.784 10.457 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.443 11.572 -4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.878 9.591 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.496 10.262 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.524 12.430 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.861 11.862 -3.802 1.00 0.00 H new ATOM 706 N GLY A 52 -5.554 9.642 -7.274 1.00 0.00 N ATOM 707 CA GLY A 52 -6.170 10.585 -8.190 1.00 0.00 C ATOM 708 C GLY A 52 -7.332 11.329 -7.562 1.00 0.00 C ATOM 709 O GLY A 52 -7.134 12.228 -6.745 1.00 0.00 O ATOM 0 H GLY A 52 -4.543 9.547 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.421 11.303 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.519 10.052 -9.075 1.00 0.00 H new ATOM 713 N ASP A 53 -8.548 10.951 -7.942 1.00 0.00 N ATOM 714 CA ASP A 53 -9.747 11.585 -7.410 1.00 0.00 C ATOM 715 C ASP A 53 -10.460 10.657 -6.432 1.00 0.00 C ATOM 716 O ASP A 53 -11.291 11.095 -5.636 1.00 0.00 O ATOM 717 CB ASP A 53 -10.694 11.970 -8.547 1.00 0.00 C ATOM 718 CG ASP A 53 -10.375 13.333 -9.129 1.00 0.00 C ATOM 719 OD1 ASP A 53 -9.242 13.517 -9.623 1.00 0.00 O ATOM 720 OD2 ASP A 53 -11.257 14.216 -9.091 1.00 0.00 O ATOM 0 H ASP A 53 -8.728 10.208 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.446 12.487 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.636 11.219 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.720 11.966 -8.179 1.00 0.00 H new ATOM 725 N ASP A 54 -10.128 9.372 -6.498 1.00 0.00 N ATOM 726 CA ASP A 54 -10.733 8.377 -5.622 1.00 0.00 C ATOM 727 C ASP A 54 -9.886 7.108 -5.579 1.00 0.00 C ATOM 728 O ASP A 54 -8.667 7.161 -5.741 1.00 0.00 O ATOM 729 CB ASP A 54 -12.150 8.047 -6.097 1.00 0.00 C ATOM 730 CG ASP A 54 -12.904 9.276 -6.567 1.00 0.00 C ATOM 731 OD1 ASP A 54 -13.434 10.012 -5.708 1.00 0.00 O ATOM 732 OD2 ASP A 54 -12.964 9.503 -7.793 1.00 0.00 O ATOM 0 H ASP A 54 -9.441 8.995 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.783 8.792 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.098 7.323 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.702 7.574 -5.284 1.00 0.00 H new ATOM 737 N LEU A 55 -10.536 5.969 -5.360 1.00 0.00 N ATOM 738 CA LEU A 55 -9.840 4.689 -5.300 1.00 0.00 C ATOM 739 C LEU A 55 -9.075 4.540 -3.988 1.00 0.00 C ATOM 740 O LEU A 55 -8.223 5.362 -3.654 1.00 0.00 O ATOM 741 CB LEU A 55 -8.879 4.546 -6.482 1.00 0.00 C ATOM 742 CG LEU A 55 -9.502 4.793 -7.857 1.00 0.00 C ATOM 743 CD1 LEU A 55 -10.950 4.330 -7.878 1.00 0.00 C ATOM 744 CD2 LEU A 55 -9.406 6.265 -8.229 1.00 0.00 C ATOM 0 H LEU A 55 -11.545 5.907 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.590 3.900 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.052 5.243 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.456 3.542 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.946 4.215 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.376 4.514 -8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.994 3.264 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.519 4.880 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.854 6.422 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.936 6.863 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.359 6.566 -8.256 1.00 0.00 H new ATOM 756 N ASP A 56 -9.392 3.481 -3.253 1.00 0.00 N ATOM 757 CA ASP A 56 -8.748 3.203 -1.975 1.00 0.00 C ATOM 758 C ASP A 56 -9.002 1.762 -1.562 1.00 0.00 C ATOM 759 O ASP A 56 -9.352 0.925 -2.393 1.00 0.00 O ATOM 760 CB ASP A 56 -9.274 4.152 -0.895 1.00 0.00 C ATOM 761 CG ASP A 56 -9.445 5.570 -1.402 1.00 0.00 C ATOM 762 OD1 ASP A 56 -8.429 6.289 -1.509 1.00 0.00 O ATOM 763 OD2 ASP A 56 -10.594 5.963 -1.693 1.00 0.00 O ATOM 0 H ASP A 56 -10.097 2.795 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.675 3.358 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.231 3.783 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.586 4.152 -0.050 1.00 0.00 H new ATOM 768 N ASP A 57 -8.833 1.487 -0.275 1.00 0.00 N ATOM 769 CA ASP A 57 -9.058 0.147 0.263 1.00 0.00 C ATOM 770 C ASP A 57 -8.272 -0.081 1.550 1.00 0.00 C ATOM 771 O ASP A 57 -7.461 0.752 1.957 1.00 0.00 O ATOM 772 CB ASP A 57 -8.684 -0.924 -0.760 1.00 0.00 C ATOM 773 CG ASP A 57 -9.884 -1.428 -1.538 1.00 0.00 C ATOM 774 OD1 ASP A 57 -10.832 -1.936 -0.905 1.00 0.00 O ATOM 775 OD2 ASP A 57 -9.875 -1.315 -2.782 1.00 0.00 O ATOM 0 H ASP A 57 -8.540 2.175 0.419 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.122 0.070 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.949 -0.517 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.209 -1.761 -0.248 1.00 0.00 H new ATOM 780 N TYR A 58 -8.523 -1.226 2.182 1.00 0.00 N ATOM 781 CA TYR A 58 -7.852 -1.591 3.425 1.00 0.00 C ATOM 782 C TYR A 58 -6.977 -2.827 3.235 1.00 0.00 C ATOM 783 O TYR A 58 -7.226 -3.651 2.355 1.00 0.00 O ATOM 784 CB TYR A 58 -8.878 -1.837 4.528 1.00 0.00 C ATOM 785 CG TYR A 58 -9.385 -0.569 5.176 1.00 0.00 C ATOM 786 CD1 TYR A 58 -9.972 0.433 4.415 1.00 0.00 C ATOM 787 CD2 TYR A 58 -9.274 -0.374 6.547 1.00 0.00 C ATOM 788 CE1 TYR A 58 -10.435 1.595 5.002 1.00 0.00 C ATOM 789 CE2 TYR A 58 -9.736 0.785 7.141 1.00 0.00 C ATOM 790 CZ TYR A 58 -10.315 1.766 6.365 1.00 0.00 C ATOM 791 OH TYR A 58 -10.775 2.922 6.952 1.00 0.00 O ATOM 0 H TYR A 58 -9.192 -1.921 1.849 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.209 -0.761 3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.723 -2.385 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.432 -2.473 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.068 0.302 3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.820 -1.140 7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.889 2.366 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.644 0.922 8.208 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.616 2.884 7.918 1.00 0.00 H new ATOM 801 N CYS A 59 -5.935 -2.934 4.053 1.00 0.00 N ATOM 802 CA CYS A 59 -4.995 -4.049 3.962 1.00 0.00 C ATOM 803 C CYS A 59 -5.464 -5.303 4.697 1.00 0.00 C ATOM 804 O CYS A 59 -5.706 -5.286 5.902 1.00 0.00 O ATOM 805 CB CYS A 59 -3.638 -3.633 4.503 1.00 0.00 C ATOM 806 SG CYS A 59 -2.580 -2.775 3.287 1.00 0.00 S ATOM 0 H CYS A 59 -5.719 -2.261 4.788 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.928 -4.303 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.787 -2.980 5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.115 -4.519 4.862 1.00 0.00 H new ATOM 811 N ASN A 60 -5.553 -6.397 3.948 1.00 0.00 N ATOM 812 CA ASN A 60 -5.948 -7.700 4.470 1.00 0.00 C ATOM 813 C ASN A 60 -5.331 -8.773 3.588 1.00 0.00 C ATOM 814 O ASN A 60 -5.427 -8.692 2.364 1.00 0.00 O ATOM 815 CB ASN A 60 -7.468 -7.847 4.492 1.00 0.00 C ATOM 816 CG ASN A 60 -8.095 -7.130 5.667 1.00 0.00 C ATOM 817 OD1 ASN A 60 -8.597 -7.760 6.597 1.00 0.00 O ATOM 818 ND2 ASN A 60 -8.071 -5.805 5.630 1.00 0.00 N ATOM 0 H ASN A 60 -5.350 -6.404 2.948 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.594 -7.801 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.883 -7.452 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.728 -8.905 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.480 -5.266 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.644 -5.325 4.838 1.00 0.00 H new ATOM 825 N GLY A 61 -4.658 -9.753 4.185 1.00 0.00 N ATOM 826 CA GLY A 61 -4.013 -10.767 3.370 1.00 0.00 C ATOM 827 C GLY A 61 -3.303 -10.100 2.214 1.00 0.00 C ATOM 828 O GLY A 61 -3.235 -10.631 1.106 1.00 0.00 O ATOM 0 H GLY A 61 -4.549 -9.863 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.302 -11.334 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.753 -11.476 2.998 1.00 0.00 H new ATOM 832 N ILE A 62 -2.841 -8.882 2.493 1.00 0.00 N ATOM 833 CA ILE A 62 -2.184 -8.029 1.508 1.00 0.00 C ATOM 834 C ILE A 62 -0.672 -8.194 1.422 1.00 0.00 C ATOM 835 O ILE A 62 0.057 -7.222 1.619 1.00 0.00 O ATOM 836 CB ILE A 62 -2.447 -6.543 1.810 1.00 0.00 C ATOM 837 CG1 ILE A 62 -2.467 -6.251 3.319 1.00 0.00 C ATOM 838 CG2 ILE A 62 -3.758 -6.103 1.192 1.00 0.00 C ATOM 839 CD1 ILE A 62 -1.454 -7.001 4.161 1.00 0.00 C ATOM 0 H ILE A 62 -2.914 -8.457 3.418 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.616 -8.347 0.559 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.624 -5.979 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.308 -5.182 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.463 -6.479 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.930 -5.050 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.716 -6.244 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.573 -6.698 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.565 -6.712 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.621 -8.074 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.447 -6.757 3.822 1.00 0.00 H new ATOM 851 N SER A 63 -0.180 -9.371 1.083 1.00 0.00 N ATOM 852 CA SER A 63 1.256 -9.533 0.940 1.00 0.00 C ATOM 853 C SER A 63 1.700 -8.807 -0.322 1.00 0.00 C ATOM 854 O SER A 63 2.173 -9.419 -1.280 1.00 0.00 O ATOM 855 CB SER A 63 1.637 -11.004 0.874 1.00 0.00 C ATOM 856 OG SER A 63 0.944 -11.669 -0.167 1.00 0.00 O ATOM 0 H SER A 63 -0.735 -10.208 0.906 1.00 0.00 H new ATOM 0 HA SER A 63 1.758 -9.108 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.711 -11.097 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.413 -11.483 1.827 1.00 0.00 H new ATOM 0 HG SER A 63 1.181 -11.265 -1.028 1.00 0.00 H new ATOM 862 N ALA A 64 1.500 -7.493 -0.317 1.00 0.00 N ATOM 863 CA ALA A 64 1.825 -6.653 -1.454 1.00 0.00 C ATOM 864 C ALA A 64 0.710 -6.728 -2.489 1.00 0.00 C ATOM 865 O ALA A 64 0.922 -6.489 -3.677 1.00 0.00 O ATOM 866 CB ALA A 64 3.164 -7.040 -2.056 1.00 0.00 C ATOM 0 H ALA A 64 1.108 -6.985 0.476 1.00 0.00 H new ATOM 0 HA ALA A 64 1.912 -5.621 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.381 -6.393 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.946 -6.928 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.127 -8.077 -2.389 1.00 0.00 H new ATOM 872 N GLY A 65 -0.488 -7.059 -2.008 1.00 0.00 N ATOM 873 CA GLY A 65 -1.649 -7.161 -2.872 1.00 0.00 C ATOM 874 C GLY A 65 -2.864 -6.481 -2.268 1.00 0.00 C ATOM 875 O GLY A 65 -2.769 -5.353 -1.788 1.00 0.00 O ATOM 0 H GLY A 65 -0.673 -7.260 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.423 -6.710 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.874 -8.212 -3.055 1.00 0.00 H new ATOM 879 N CYS A 66 -4.006 -7.164 -2.284 1.00 0.00 N ATOM 880 CA CYS A 66 -5.236 -6.604 -1.727 1.00 0.00 C ATOM 881 C CYS A 66 -6.296 -7.678 -1.501 1.00 0.00 C ATOM 882 O CYS A 66 -6.443 -8.601 -2.301 1.00 0.00 O ATOM 883 CB CYS A 66 -5.789 -5.518 -2.648 1.00 0.00 C ATOM 884 SG CYS A 66 -4.981 -3.898 -2.452 1.00 0.00 S ATOM 0 H CYS A 66 -4.106 -8.101 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.987 -6.169 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.681 -5.844 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.857 -5.405 -2.459 1.00 0.00 H new ATOM 889 N PRO A 67 -7.058 -7.558 -0.399 1.00 0.00 N ATOM 890 CA PRO A 67 -8.122 -8.508 -0.056 1.00 0.00 C ATOM 891 C PRO A 67 -9.199 -8.583 -1.133 1.00 0.00 C ATOM 892 O PRO A 67 -8.979 -8.179 -2.275 1.00 0.00 O ATOM 893 CB PRO A 67 -8.712 -7.937 1.242 1.00 0.00 C ATOM 894 CG PRO A 67 -8.293 -6.507 1.257 1.00 0.00 C ATOM 895 CD PRO A 67 -6.948 -6.480 0.599 1.00 0.00 C ATOM 0 HA PRO A 67 -7.740 -9.524 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.798 -8.031 1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.334 -8.469 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.006 -5.883 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.240 -6.124 2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.744 -5.516 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.144 -6.667 1.311 1.00 0.00 H new ATOM 903 N ARG A 68 -10.365 -9.100 -0.760 1.00 0.00 N ATOM 904 CA ARG A 68 -11.481 -9.224 -1.690 1.00 0.00 C ATOM 905 C ARG A 68 -12.760 -8.663 -1.079 1.00 0.00 C ATOM 906 O ARG A 68 -13.854 -8.869 -1.606 1.00 0.00 O ATOM 907 CB ARG A 68 -11.689 -10.689 -2.078 1.00 0.00 C ATOM 908 CG ARG A 68 -10.727 -11.179 -3.148 1.00 0.00 C ATOM 909 CD ARG A 68 -11.395 -12.176 -4.081 1.00 0.00 C ATOM 910 NE ARG A 68 -11.920 -13.333 -3.361 1.00 0.00 N ATOM 911 CZ ARG A 68 -12.942 -14.066 -3.791 1.00 0.00 C ATOM 912 NH1 ARG A 68 -13.544 -13.764 -4.933 1.00 0.00 N ATOM 913 NH2 ARG A 68 -13.362 -15.103 -3.079 1.00 0.00 N ATOM 0 H ARG A 68 -10.562 -9.440 0.181 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.242 -8.649 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.578 -11.311 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.711 -10.820 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.358 -10.330 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.862 -11.644 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.207 -11.684 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.676 -12.510 -4.829 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.478 -13.593 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.223 -12.968 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.328 -14.328 -5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.901 -15.339 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.146 -15.665 -3.410 1.00 0.00 H new ATOM 927 N ASN A 69 -12.617 -7.954 0.037 1.00 0.00 N ATOM 928 CA ASN A 69 -13.762 -7.365 0.721 1.00 0.00 C ATOM 929 C ASN A 69 -13.917 -5.892 0.356 1.00 0.00 C ATOM 930 O ASN A 69 -12.948 -5.226 -0.008 1.00 0.00 O ATOM 931 CB ASN A 69 -13.608 -7.512 2.236 1.00 0.00 C ATOM 932 CG ASN A 69 -13.032 -8.858 2.631 1.00 0.00 C ATOM 933 OD1 ASN A 69 -11.964 -8.935 3.239 1.00 0.00 O ATOM 934 ND2 ASN A 69 -13.737 -9.929 2.284 1.00 0.00 N ATOM 0 H ASN A 69 -11.719 -7.774 0.486 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.658 -7.897 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.961 -6.719 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.580 -7.382 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.398 -10.861 2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.617 -9.819 1.781 1.00 0.00 H new ATOM 941 N PRO A 70 -15.147 -5.367 0.449 1.00 0.00 N ATOM 942 CA PRO A 70 -15.439 -3.968 0.128 1.00 0.00 C ATOM 943 C PRO A 70 -14.919 -3.006 1.192 1.00 0.00 C ATOM 944 O PRO A 70 -15.169 -3.188 2.383 1.00 0.00 O ATOM 945 CB PRO A 70 -16.967 -3.932 0.077 1.00 0.00 C ATOM 946 CG PRO A 70 -17.400 -5.029 0.986 1.00 0.00 C ATOM 947 CD PRO A 70 -16.351 -6.103 0.874 1.00 0.00 C ATOM 0 HA PRO A 70 -14.958 -3.652 -0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.352 -2.968 0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -17.333 -4.090 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.485 -4.673 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.380 -5.410 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.195 -6.612 1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.633 -6.865 0.147 1.00 0.00 H new ATOM 955 N PHE A 71 -14.195 -1.982 0.752 1.00 0.00 N ATOM 956 CA PHE A 71 -13.640 -0.989 1.665 1.00 0.00 C ATOM 957 C PHE A 71 -13.887 0.423 1.146 1.00 0.00 C ATOM 958 O PHE A 71 -14.544 1.230 1.803 1.00 0.00 O ATOM 959 CB PHE A 71 -12.140 -1.222 1.855 1.00 0.00 C ATOM 960 CG PHE A 71 -11.818 -2.512 2.555 1.00 0.00 C ATOM 961 CD1 PHE A 71 -12.153 -2.695 3.886 1.00 0.00 C ATOM 962 CD2 PHE A 71 -11.180 -3.540 1.880 1.00 0.00 C ATOM 963 CE1 PHE A 71 -11.859 -3.880 4.533 1.00 0.00 C ATOM 964 CE2 PHE A 71 -10.883 -4.728 2.522 1.00 0.00 C ATOM 965 CZ PHE A 71 -11.223 -4.898 3.850 1.00 0.00 C ATOM 0 H PHE A 71 -13.979 -1.818 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.141 -1.095 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -11.653 -1.216 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.721 -0.393 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.650 -1.902 4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.912 -3.412 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -12.126 -4.010 5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.386 -5.522 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.992 -5.825 4.353 1.00 0.00 H new ATOM 975 N HIS A 72 -13.358 0.715 -0.039 1.00 0.00 N ATOM 976 CA HIS A 72 -13.525 2.030 -0.646 1.00 0.00 C ATOM 977 C HIS A 72 -14.971 2.246 -1.081 1.00 0.00 C ATOM 978 O HIS A 72 -15.531 1.446 -1.831 1.00 0.00 O ATOM 979 CB HIS A 72 -12.590 2.182 -1.848 1.00 0.00 C ATOM 980 CG HIS A 72 -12.995 3.276 -2.787 1.00 0.00 C ATOM 981 ND1 HIS A 72 -12.767 4.612 -2.532 1.00 0.00 N ATOM 982 CD2 HIS A 72 -13.617 3.226 -3.989 1.00 0.00 C ATOM 983 CE1 HIS A 72 -13.233 5.336 -3.534 1.00 0.00 C ATOM 984 NE2 HIS A 72 -13.752 4.519 -4.431 1.00 0.00 N ATOM 0 H HIS A 72 -12.811 0.059 -0.597 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.271 2.783 0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.579 2.378 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.557 1.239 -2.394 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -12.310 4.983 -1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.946 2.335 -4.504 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.196 6.413 -3.607 1.00 0.00 H new ATOM 993 N ALA A 73 -15.572 3.331 -0.604 1.00 0.00 N ATOM 994 CA ALA A 73 -16.953 3.651 -0.943 1.00 0.00 C ATOM 995 C ALA A 73 -17.019 4.752 -1.996 1.00 0.00 C ATOM 996 O ALA A 73 -17.442 4.456 -3.134 1.00 0.00 O ATOM 997 CB ALA A 73 -17.719 4.065 0.304 1.00 0.00 C ATOM 998 OXT ALA A 73 -16.648 5.900 -1.675 1.00 0.00 O ATOM 0 H ALA A 73 -15.124 4.003 0.019 1.00 0.00 H new ATOM 0 HA ALA A 73 -17.415 2.757 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.749 4.301 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -17.710 3.248 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.248 4.943 0.745 1.00 0.00 H new TER 1004 ALA A 73