USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= -0.667! C(o=-2.4!,f=-7.3!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.72 K(o=-2.4,f=-9.1!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.117 USER MOD Set 2.2: A 113 ASN : amide:sc= -0.502 K(o=-0.38,f=0.21) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 69:sc= 1.3 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -150:sc= -0.865 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 17 THR OG1 : rot 117:sc= 1.34 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.81) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.283 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.798! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 54 SER OG : rot -68:sc= 1.29 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 62 SER OG : rot 45:sc= 0.807 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 164:sc= 0.944 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 131:sc= 0.961 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 85 THR OG1 : rot 180:sc=0.000968 USER MOD Single : A 89 THR OG1 : rot 124:sc= 0.698 USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.0841 USER MOD Single : A 94 GLN : amide:sc= 0.356 K(o=0.36,f=-8.6!) USER MOD Single : A 98 SER OG : rot -4:sc= 0.177 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.793 4.796 16.305 1.00 0.00 N ATOM 2 CA ALA A 1 -16.482 3.733 15.538 1.00 0.00 C ATOM 3 C ALA A 1 -15.483 2.696 15.046 1.00 0.00 C ATOM 4 O ALA A 1 -14.494 3.036 14.395 1.00 0.00 O ATOM 5 CB ALA A 1 -17.237 4.335 14.361 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.490 5.495 16.633 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.312 4.376 17.126 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.093 5.265 15.696 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.196 3.240 16.198 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.738 3.542 13.806 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.978 5.045 14.729 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.536 4.850 13.704 1.00 0.00 H new ATOM 11 N ALA A 2 -15.742 1.433 15.356 1.00 0.00 N ATOM 12 CA ALA A 2 -14.869 0.350 14.938 1.00 0.00 C ATOM 13 C ALA A 2 -15.054 0.060 13.451 1.00 0.00 C ATOM 14 O ALA A 2 -16.168 -0.212 12.998 1.00 0.00 O ATOM 15 CB ALA A 2 -15.145 -0.894 15.768 1.00 0.00 C ATOM 0 H ALA A 2 -16.553 1.135 15.898 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.834 0.651 15.099 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.485 -1.700 15.446 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.965 -0.676 16.821 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.183 -1.199 15.633 1.00 0.00 H new ATOM 21 N PRO A 3 -13.973 0.145 12.668 1.00 0.00 N ATOM 22 CA PRO A 3 -14.011 -0.106 11.235 1.00 0.00 C ATOM 23 C PRO A 3 -13.746 -1.572 10.903 1.00 0.00 C ATOM 24 O PRO A 3 -13.748 -2.428 11.792 1.00 0.00 O ATOM 25 CB PRO A 3 -12.877 0.779 10.732 1.00 0.00 C ATOM 26 CG PRO A 3 -11.856 0.728 11.824 1.00 0.00 C ATOM 27 CD PRO A 3 -12.612 0.502 13.114 1.00 0.00 C ATOM 0 HA PRO A 3 -14.981 0.107 10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.471 0.409 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.218 1.799 10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.141 -0.076 11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.287 1.657 11.866 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.163 -0.296 13.706 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.617 1.397 13.736 1.00 0.00 H new ATOM 35 N THR A 4 -13.543 -1.859 9.626 1.00 0.00 N ATOM 36 CA THR A 4 -13.264 -3.215 9.181 1.00 0.00 C ATOM 37 C THR A 4 -12.101 -3.218 8.186 1.00 0.00 C ATOM 38 O THR A 4 -12.301 -3.140 6.975 1.00 0.00 O ATOM 39 CB THR A 4 -14.504 -3.852 8.522 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.697 -3.440 9.205 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.411 -5.367 8.542 1.00 0.00 C ATOM 0 H THR A 4 -13.567 -1.167 8.877 1.00 0.00 H new ATOM 0 HA THR A 4 -12.995 -3.803 10.058 1.00 0.00 H new ATOM 0 HB THR A 4 -14.543 -3.515 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.477 -3.850 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.298 -5.792 8.071 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.523 -5.684 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.346 -5.714 9.573 1.00 0.00 H new ATOM 49 N ALA A 5 -10.885 -3.292 8.707 1.00 0.00 N ATOM 50 CA ALA A 5 -9.693 -3.299 7.873 1.00 0.00 C ATOM 51 C ALA A 5 -9.345 -4.721 7.451 1.00 0.00 C ATOM 52 O ALA A 5 -8.344 -5.291 7.892 1.00 0.00 O ATOM 53 CB ALA A 5 -8.525 -2.656 8.606 1.00 0.00 C ATOM 0 H ALA A 5 -10.698 -3.348 9.708 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.897 -2.715 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.642 -2.670 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.775 -1.625 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.319 -3.212 9.521 1.00 0.00 H new ATOM 59 N THR A 6 -10.188 -5.288 6.604 1.00 0.00 N ATOM 60 CA THR A 6 -9.994 -6.641 6.107 1.00 0.00 C ATOM 61 C THR A 6 -8.942 -6.686 5.001 1.00 0.00 C ATOM 62 O THR A 6 -9.209 -6.317 3.856 1.00 0.00 O ATOM 63 CB THR A 6 -11.316 -7.218 5.574 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.281 -6.163 5.431 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.859 -8.288 6.510 1.00 0.00 C ATOM 0 H THR A 6 -11.023 -4.826 6.243 1.00 0.00 H new ATOM 0 HA THR A 6 -9.645 -7.245 6.945 1.00 0.00 H new ATOM 0 HB THR A 6 -11.126 -7.676 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.007 -5.566 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.794 -8.680 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.134 -9.097 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.038 -7.854 7.494 1.00 0.00 H new ATOM 73 N VAL A 7 -7.749 -7.143 5.343 1.00 0.00 N ATOM 74 CA VAL A 7 -6.663 -7.236 4.375 1.00 0.00 C ATOM 75 C VAL A 7 -6.138 -8.665 4.284 1.00 0.00 C ATOM 76 O VAL A 7 -6.128 -9.398 5.275 1.00 0.00 O ATOM 77 CB VAL A 7 -5.499 -6.282 4.728 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.853 -4.850 4.362 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.151 -6.381 6.205 1.00 0.00 C ATOM 0 H VAL A 7 -7.506 -7.456 6.283 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.072 -6.939 3.409 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.626 -6.582 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.022 -4.193 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.050 -4.786 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.741 -4.543 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.329 -5.701 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.021 -6.110 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.852 -7.402 6.441 1.00 0.00 H new ATOM 89 N THR A 8 -5.715 -9.060 3.094 1.00 0.00 N ATOM 90 CA THR A 8 -5.191 -10.397 2.876 1.00 0.00 C ATOM 91 C THR A 8 -3.701 -10.337 2.542 1.00 0.00 C ATOM 92 O THR A 8 -3.323 -10.110 1.392 1.00 0.00 O ATOM 93 CB THR A 8 -5.947 -11.113 1.741 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.362 -10.921 1.897 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.639 -12.598 1.735 1.00 0.00 C ATOM 0 H THR A 8 -5.725 -8.470 2.262 1.00 0.00 H new ATOM 0 HA THR A 8 -5.332 -10.963 3.797 1.00 0.00 H new ATOM 0 HB THR A 8 -5.619 -10.685 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.836 -11.378 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.185 -13.080 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.569 -12.747 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.941 -13.036 2.686 1.00 0.00 H new ATOM 103 N PRO A 9 -2.838 -10.511 3.554 1.00 0.00 N ATOM 104 CA PRO A 9 -1.384 -10.474 3.379 1.00 0.00 C ATOM 105 C PRO A 9 -0.860 -11.676 2.598 1.00 0.00 C ATOM 106 O PRO A 9 -1.420 -12.767 2.668 1.00 0.00 O ATOM 107 CB PRO A 9 -0.834 -10.494 4.815 1.00 0.00 C ATOM 108 CG PRO A 9 -2.009 -10.239 5.699 1.00 0.00 C ATOM 109 CD PRO A 9 -3.207 -10.748 4.954 1.00 0.00 C ATOM 0 HA PRO A 9 -1.075 -9.600 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.372 -11.454 5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.068 -9.731 4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.897 -10.752 6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.109 -9.176 5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.389 -11.804 5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.114 -10.211 5.230 1.00 0.00 H new ATOM 117 N SER A 10 0.216 -11.464 1.852 1.00 0.00 N ATOM 118 CA SER A 10 0.837 -12.521 1.066 1.00 0.00 C ATOM 119 C SER A 10 1.990 -13.148 1.850 1.00 0.00 C ATOM 120 O SER A 10 3.039 -13.473 1.294 1.00 0.00 O ATOM 121 CB SER A 10 1.340 -11.941 -0.257 1.00 0.00 C ATOM 122 OG SER A 10 0.409 -11.010 -0.780 1.00 0.00 O ATOM 0 H SER A 10 0.681 -10.559 1.775 1.00 0.00 H new ATOM 0 HA SER A 10 0.102 -13.298 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.303 -11.453 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.501 -12.745 -0.975 1.00 0.00 H new ATOM 0 HG SER A 10 0.463 -11.008 -1.759 1.00 0.00 H new ATOM 128 N SER A 11 1.773 -13.317 3.147 1.00 0.00 N ATOM 129 CA SER A 11 2.771 -13.877 4.045 1.00 0.00 C ATOM 130 C SER A 11 3.125 -15.319 3.684 1.00 0.00 C ATOM 131 O SER A 11 2.316 -16.230 3.851 1.00 0.00 O ATOM 132 CB SER A 11 2.246 -13.804 5.477 1.00 0.00 C ATOM 133 OG SER A 11 1.777 -12.497 5.777 1.00 0.00 O ATOM 0 H SER A 11 0.897 -13.069 3.607 1.00 0.00 H new ATOM 0 HA SER A 11 3.685 -13.292 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.439 -14.524 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.038 -14.080 6.174 1.00 0.00 H new ATOM 0 HG SER A 11 1.444 -12.473 6.698 1.00 0.00 H new ATOM 139 N GLY A 12 4.335 -15.517 3.180 1.00 0.00 N ATOM 140 CA GLY A 12 4.778 -16.850 2.827 1.00 0.00 C ATOM 141 C GLY A 12 4.671 -17.140 1.346 1.00 0.00 C ATOM 142 O GLY A 12 4.980 -18.244 0.902 1.00 0.00 O ATOM 0 H GLY A 12 5.017 -14.778 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.814 -16.977 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.186 -17.581 3.378 1.00 0.00 H new ATOM 146 N LEU A 13 4.238 -16.158 0.577 1.00 0.00 N ATOM 147 CA LEU A 13 4.099 -16.338 -0.859 1.00 0.00 C ATOM 148 C LEU A 13 5.306 -15.755 -1.586 1.00 0.00 C ATOM 149 O LEU A 13 6.287 -15.368 -0.953 1.00 0.00 O ATOM 150 CB LEU A 13 2.797 -15.704 -1.350 1.00 0.00 C ATOM 151 CG LEU A 13 1.524 -16.413 -0.874 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.287 -15.627 -1.268 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.456 -17.823 -1.442 1.00 0.00 C ATOM 0 H LEU A 13 3.978 -15.233 0.918 1.00 0.00 H new ATOM 0 HA LEU A 13 4.058 -17.405 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.765 -14.666 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.803 -15.690 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 13 1.558 -16.475 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.603 -16.150 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.326 -14.636 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.248 -15.529 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.546 -18.312 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.449 -17.777 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.324 -18.392 -1.108 1.00 0.00 H new ATOM 165 N SER A 14 5.247 -15.718 -2.907 1.00 0.00 N ATOM 166 CA SER A 14 6.347 -15.187 -3.701 1.00 0.00 C ATOM 167 C SER A 14 5.972 -13.829 -4.292 1.00 0.00 C ATOM 168 O SER A 14 4.866 -13.330 -4.071 1.00 0.00 O ATOM 169 CB SER A 14 6.709 -16.174 -4.815 1.00 0.00 C ATOM 170 OG SER A 14 6.521 -17.518 -4.392 1.00 0.00 O ATOM 0 H SER A 14 4.451 -16.048 -3.453 1.00 0.00 H new ATOM 0 HA SER A 14 7.214 -15.051 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.094 -15.977 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.747 -16.026 -5.113 1.00 0.00 H new ATOM 0 HG SER A 14 6.758 -18.127 -5.122 1.00 0.00 H new ATOM 176 N ASP A 15 6.894 -13.224 -5.030 1.00 0.00 N ATOM 177 CA ASP A 15 6.630 -11.934 -5.649 1.00 0.00 C ATOM 178 C ASP A 15 5.691 -12.112 -6.832 1.00 0.00 C ATOM 179 O ASP A 15 5.642 -13.181 -7.439 1.00 0.00 O ATOM 180 CB ASP A 15 7.929 -11.255 -6.095 1.00 0.00 C ATOM 181 CG ASP A 15 8.513 -11.853 -7.362 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.255 -12.855 -7.268 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.249 -11.316 -8.456 1.00 0.00 O ATOM 0 H ASP A 15 7.823 -13.603 -5.213 1.00 0.00 H new ATOM 0 HA ASP A 15 6.156 -11.289 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.740 -10.194 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.664 -11.330 -5.294 1.00 0.00 H new ATOM 188 N GLY A 16 4.946 -11.069 -7.147 1.00 0.00 N ATOM 189 CA GLY A 16 4.000 -11.135 -8.241 1.00 0.00 C ATOM 190 C GLY A 16 2.609 -11.461 -7.745 1.00 0.00 C ATOM 191 O GLY A 16 1.644 -11.435 -8.507 1.00 0.00 O ATOM 0 H GLY A 16 4.978 -10.172 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.986 -10.182 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.320 -11.892 -8.956 1.00 0.00 H new ATOM 195 N THR A 17 2.520 -11.767 -6.456 1.00 0.00 N ATOM 196 CA THR A 17 1.259 -12.106 -5.821 1.00 0.00 C ATOM 197 C THR A 17 0.375 -10.871 -5.669 1.00 0.00 C ATOM 198 O THR A 17 0.870 -9.747 -5.520 1.00 0.00 O ATOM 199 CB THR A 17 1.512 -12.748 -4.442 1.00 0.00 C ATOM 200 OG1 THR A 17 2.341 -13.904 -4.600 1.00 0.00 O ATOM 201 CG2 THR A 17 0.213 -13.148 -3.760 1.00 0.00 C ATOM 0 H THR A 17 3.321 -11.786 -5.825 1.00 0.00 H new ATOM 0 HA THR A 17 0.740 -12.823 -6.458 1.00 0.00 H new ATOM 0 HB THR A 17 2.008 -12.009 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.187 -13.767 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.434 -13.596 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.410 -12.265 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.317 -13.870 -4.382 1.00 0.00 H new ATOM 209 N VAL A 18 -0.929 -11.080 -5.726 1.00 0.00 N ATOM 210 CA VAL A 18 -1.880 -9.996 -5.600 1.00 0.00 C ATOM 211 C VAL A 18 -2.374 -9.865 -4.163 1.00 0.00 C ATOM 212 O VAL A 18 -2.984 -10.788 -3.617 1.00 0.00 O ATOM 213 CB VAL A 18 -3.087 -10.202 -6.534 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.972 -8.968 -6.548 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.626 -10.549 -7.940 1.00 0.00 C ATOM 0 H VAL A 18 -1.353 -11.998 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.362 -9.080 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.674 -11.038 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.819 -9.135 -7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.337 -8.770 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.397 -8.112 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.495 -10.690 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.012 -9.738 -8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.040 -11.468 -7.914 1.00 0.00 H new ATOM 225 N VAL A 19 -2.101 -8.721 -3.557 1.00 0.00 N ATOM 226 CA VAL A 19 -2.527 -8.448 -2.193 1.00 0.00 C ATOM 227 C VAL A 19 -3.926 -7.842 -2.204 1.00 0.00 C ATOM 228 O VAL A 19 -4.152 -6.801 -2.830 1.00 0.00 O ATOM 229 CB VAL A 19 -1.564 -7.477 -1.474 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.840 -7.445 0.021 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.114 -7.848 -1.741 1.00 0.00 C ATOM 0 H VAL A 19 -1.581 -7.959 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.525 -9.394 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.739 -6.479 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.149 -6.754 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.864 -7.115 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.705 -8.443 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.542 -7.148 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.076 -8.859 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.082 -7.803 -2.812 1.00 0.00 H new ATOM 241 N LYS A 20 -4.864 -8.497 -1.533 1.00 0.00 N ATOM 242 CA LYS A 20 -6.233 -8.010 -1.479 1.00 0.00 C ATOM 243 C LYS A 20 -6.425 -7.073 -0.294 1.00 0.00 C ATOM 244 O LYS A 20 -6.137 -7.431 0.851 1.00 0.00 O ATOM 245 CB LYS A 20 -7.222 -9.172 -1.378 1.00 0.00 C ATOM 246 CG LYS A 20 -8.676 -8.725 -1.406 1.00 0.00 C ATOM 247 CD LYS A 20 -9.622 -9.834 -0.966 1.00 0.00 C ATOM 248 CE LYS A 20 -9.761 -10.908 -2.033 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.793 -11.921 -1.678 1.00 0.00 N ATOM 0 H LYS A 20 -4.701 -9.364 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.426 -7.462 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.045 -9.864 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.035 -9.721 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.802 -7.861 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.937 -8.404 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.253 -10.283 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.602 -9.411 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.023 -10.442 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.801 -11.404 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.854 -12.634 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.531 -12.385 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.715 -11.453 -1.568 1.00 0.00 H new ATOM 263 N VAL A 21 -6.900 -5.872 -0.576 1.00 0.00 N ATOM 264 CA VAL A 21 -7.146 -4.889 0.465 1.00 0.00 C ATOM 265 C VAL A 21 -8.592 -4.415 0.400 1.00 0.00 C ATOM 266 O VAL A 21 -8.975 -3.690 -0.518 1.00 0.00 O ATOM 267 CB VAL A 21 -6.193 -3.677 0.341 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.549 -2.601 1.355 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.745 -4.114 0.518 1.00 0.00 C ATOM 0 H VAL A 21 -7.123 -5.554 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.958 -5.368 1.426 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.309 -3.257 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.865 -1.759 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.571 -2.262 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.467 -3.009 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.090 -3.248 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.618 -4.563 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.489 -4.844 -0.250 1.00 0.00 H new ATOM 279 N ALA A 22 -9.394 -4.848 1.361 1.00 0.00 N ATOM 280 CA ALA A 22 -10.795 -4.469 1.416 1.00 0.00 C ATOM 281 C ALA A 22 -11.083 -3.717 2.707 1.00 0.00 C ATOM 282 O ALA A 22 -11.312 -4.318 3.755 1.00 0.00 O ATOM 283 CB ALA A 22 -11.686 -5.700 1.294 1.00 0.00 C ATOM 0 H ALA A 22 -9.095 -5.465 2.116 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.014 -3.809 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.732 -5.398 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.491 -6.198 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.473 -6.386 2.114 1.00 0.00 H new ATOM 289 N GLY A 23 -11.049 -2.399 2.631 1.00 0.00 N ATOM 290 CA GLY A 23 -11.294 -1.589 3.804 1.00 0.00 C ATOM 291 C GLY A 23 -12.744 -1.174 3.927 1.00 0.00 C ATOM 292 O GLY A 23 -13.283 -0.514 3.041 1.00 0.00 O ATOM 0 H GLY A 23 -10.856 -1.874 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.002 -2.146 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.666 -0.699 3.765 1.00 0.00 H new ATOM 296 N ALA A 24 -13.374 -1.572 5.017 1.00 0.00 N ATOM 297 CA ALA A 24 -14.759 -1.224 5.269 1.00 0.00 C ATOM 298 C ALA A 24 -14.842 -0.302 6.478 1.00 0.00 C ATOM 299 O ALA A 24 -13.996 -0.366 7.371 1.00 0.00 O ATOM 300 CB ALA A 24 -15.594 -2.477 5.485 1.00 0.00 C ATOM 0 H ALA A 24 -12.944 -2.141 5.746 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.160 -0.702 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.630 -2.196 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.544 -3.105 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.207 -3.029 6.342 1.00 0.00 H new ATOM 306 N GLY A 25 -15.849 0.556 6.507 1.00 0.00 N ATOM 307 CA GLY A 25 -15.989 1.487 7.610 1.00 0.00 C ATOM 308 C GLY A 25 -15.130 2.713 7.394 1.00 0.00 C ATOM 309 O GLY A 25 -14.734 3.395 8.341 1.00 0.00 O ATOM 0 H GLY A 25 -16.571 0.626 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.033 1.783 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.705 0.998 8.542 1.00 0.00 H new ATOM 313 N LEU A 26 -14.836 2.979 6.130 1.00 0.00 N ATOM 314 CA LEU A 26 -14.011 4.115 5.749 1.00 0.00 C ATOM 315 C LEU A 26 -14.882 5.326 5.448 1.00 0.00 C ATOM 316 O LEU A 26 -16.053 5.362 5.828 1.00 0.00 O ATOM 317 CB LEU A 26 -13.163 3.759 4.526 1.00 0.00 C ATOM 318 CG LEU A 26 -12.217 2.569 4.709 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.477 2.274 3.413 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.236 2.832 5.845 1.00 0.00 C ATOM 0 H LEU A 26 -15.161 2.417 5.343 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.350 4.361 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.831 3.546 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.573 4.632 4.247 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.811 1.693 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.809 1.426 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.196 2.037 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.895 3.147 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.573 1.975 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.646 3.720 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.787 2.990 6.772 1.00 0.00 H new ATOM 332 N GLN A 27 -14.312 6.312 4.771 1.00 0.00 N ATOM 333 CA GLN A 27 -15.047 7.516 4.426 1.00 0.00 C ATOM 334 C GLN A 27 -15.492 7.472 2.968 1.00 0.00 C ATOM 335 O GLN A 27 -14.669 7.564 2.055 1.00 0.00 O ATOM 336 CB GLN A 27 -14.186 8.754 4.678 1.00 0.00 C ATOM 337 CG GLN A 27 -15.003 10.008 4.928 1.00 0.00 C ATOM 338 CD GLN A 27 -15.742 9.956 6.251 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.238 9.421 7.239 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.947 10.500 6.279 1.00 0.00 N ATOM 0 H GLN A 27 -13.344 6.300 4.451 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.934 7.571 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.540 8.571 5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.535 8.917 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.345 10.877 4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.720 10.140 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.330 10.934 5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.493 10.486 7.140 1.00 0.00 H new ATOM 349 N ALA A 28 -16.797 7.336 2.763 1.00 0.00 N ATOM 350 CA ALA A 28 -17.371 7.270 1.423 1.00 0.00 C ATOM 351 C ALA A 28 -17.058 8.528 0.620 1.00 0.00 C ATOM 352 O ALA A 28 -17.165 9.648 1.129 1.00 0.00 O ATOM 353 CB ALA A 28 -18.875 7.058 1.500 1.00 0.00 C ATOM 0 H ALA A 28 -17.483 7.269 3.515 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.918 6.422 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.288 7.011 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.085 6.124 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.332 7.887 2.041 1.00 0.00 H new ATOM 359 N GLY A 29 -16.660 8.335 -0.632 1.00 0.00 N ATOM 360 CA GLY A 29 -16.339 9.457 -1.493 1.00 0.00 C ATOM 361 C GLY A 29 -14.865 9.806 -1.470 1.00 0.00 C ATOM 362 O GLY A 29 -14.402 10.624 -2.262 1.00 0.00 O ATOM 0 H GLY A 29 -16.554 7.419 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.637 9.223 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.919 10.326 -1.183 1.00 0.00 H new ATOM 366 N THR A 30 -14.126 9.190 -0.562 1.00 0.00 N ATOM 367 CA THR A 30 -12.703 9.450 -0.443 1.00 0.00 C ATOM 368 C THR A 30 -11.891 8.390 -1.180 1.00 0.00 C ATOM 369 O THR A 30 -12.196 7.196 -1.106 1.00 0.00 O ATOM 370 CB THR A 30 -12.277 9.492 1.036 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.276 10.177 1.804 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.934 10.191 1.202 1.00 0.00 C ATOM 0 H THR A 30 -14.489 8.507 0.103 1.00 0.00 H new ATOM 0 HA THR A 30 -12.506 10.421 -0.897 1.00 0.00 H new ATOM 0 HB THR A 30 -12.174 8.467 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.854 10.620 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.659 10.205 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.172 9.655 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.008 11.214 0.832 1.00 0.00 H new ATOM 380 N ALA A 31 -10.878 8.837 -1.911 1.00 0.00 N ATOM 381 CA ALA A 31 -10.012 7.942 -2.659 1.00 0.00 C ATOM 382 C ALA A 31 -8.841 7.493 -1.797 1.00 0.00 C ATOM 383 O ALA A 31 -8.153 8.315 -1.184 1.00 0.00 O ATOM 384 CB ALA A 31 -9.514 8.622 -3.926 1.00 0.00 C ATOM 0 H ALA A 31 -10.637 9.824 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.587 7.061 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.866 7.939 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.365 8.896 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.954 9.519 -3.661 1.00 0.00 H new ATOM 390 N TYR A 32 -8.629 6.192 -1.737 1.00 0.00 N ATOM 391 CA TYR A 32 -7.550 5.629 -0.950 1.00 0.00 C ATOM 392 C TYR A 32 -6.455 5.090 -1.858 1.00 0.00 C ATOM 393 O TYR A 32 -6.720 4.320 -2.786 1.00 0.00 O ATOM 394 CB TYR A 32 -8.081 4.523 -0.033 1.00 0.00 C ATOM 395 CG TYR A 32 -8.997 5.033 1.059 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.338 5.292 0.804 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.518 5.257 2.344 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.176 5.760 1.798 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.348 5.724 3.344 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.676 5.974 3.068 1.00 0.00 C ATOM 401 OH TYR A 32 -11.507 6.441 4.061 1.00 0.00 O ATOM 0 H TYR A 32 -9.195 5.501 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.124 6.418 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.619 3.790 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.238 4.004 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.732 5.125 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.479 5.063 2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.216 5.957 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.959 5.893 4.337 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.000 6.536 4.894 1.00 0.00 H new ATOM 411 N ASP A 33 -5.229 5.509 -1.595 1.00 0.00 N ATOM 412 CA ASP A 33 -4.086 5.074 -2.380 1.00 0.00 C ATOM 413 C ASP A 33 -3.410 3.913 -1.674 1.00 0.00 C ATOM 414 O ASP A 33 -3.009 4.030 -0.513 1.00 0.00 O ATOM 415 CB ASP A 33 -3.093 6.222 -2.578 1.00 0.00 C ATOM 416 CG ASP A 33 -2.585 6.303 -4.004 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.408 6.208 -4.936 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.366 6.489 -4.201 1.00 0.00 O ATOM 0 H ASP A 33 -4.999 6.154 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.431 4.755 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.572 7.164 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.249 6.090 -1.901 1.00 0.00 H new ATOM 423 N VAL A 34 -3.312 2.784 -2.359 1.00 0.00 N ATOM 424 CA VAL A 34 -2.703 1.599 -1.774 1.00 0.00 C ATOM 425 C VAL A 34 -1.603 1.040 -2.668 1.00 0.00 C ATOM 426 O VAL A 34 -1.791 0.875 -3.876 1.00 0.00 O ATOM 427 CB VAL A 34 -3.747 0.487 -1.521 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.190 -0.567 -0.580 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.040 1.059 -0.963 1.00 0.00 C ATOM 0 H VAL A 34 -3.644 2.663 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.274 1.912 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.970 0.019 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.940 -1.340 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.299 -1.014 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.931 -0.104 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.753 0.252 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.837 1.564 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.459 1.772 -1.673 1.00 0.00 H new ATOM 439 N GLY A 35 -0.455 0.770 -2.067 1.00 0.00 N ATOM 440 CA GLY A 35 0.660 0.208 -2.798 1.00 0.00 C ATOM 441 C GLY A 35 1.517 -0.650 -1.893 1.00 0.00 C ATOM 442 O GLY A 35 1.220 -0.775 -0.704 1.00 0.00 O ATOM 0 H GLY A 35 -0.275 0.932 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.290 -0.390 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.263 1.010 -3.224 1.00 0.00 H new ATOM 446 N GLN A 36 2.576 -1.237 -2.426 1.00 0.00 N ATOM 447 CA GLN A 36 3.458 -2.070 -1.614 1.00 0.00 C ATOM 448 C GLN A 36 4.523 -1.198 -0.951 1.00 0.00 C ATOM 449 O GLN A 36 5.722 -1.447 -1.069 1.00 0.00 O ATOM 450 CB GLN A 36 4.103 -3.177 -2.459 1.00 0.00 C ATOM 451 CG GLN A 36 4.759 -2.681 -3.738 1.00 0.00 C ATOM 452 CD GLN A 36 5.661 -3.714 -4.384 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.730 -3.812 -5.607 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.377 -4.477 -3.573 1.00 0.00 N ATOM 0 H GLN A 36 2.847 -1.156 -3.406 1.00 0.00 H new ATOM 0 HA GLN A 36 2.866 -2.555 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.851 -3.690 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.341 -3.913 -2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.984 -2.390 -4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.341 -1.786 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.293 -4.367 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.013 -5.175 -3.959 1.00 0.00 H new ATOM 463 N CYS A 37 4.058 -0.176 -0.251 1.00 0.00 N ATOM 464 CA CYS A 37 4.930 0.769 0.427 1.00 0.00 C ATOM 465 C CYS A 37 5.672 0.118 1.589 1.00 0.00 C ATOM 466 O CYS A 37 5.106 -0.105 2.659 1.00 0.00 O ATOM 467 CB CYS A 37 4.106 1.964 0.912 1.00 0.00 C ATOM 468 SG CYS A 37 2.630 2.295 -0.116 1.00 0.00 S ATOM 0 H CYS A 37 3.064 0.022 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 37 5.684 1.112 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.791 1.785 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.739 2.852 0.923 1.00 0.00 H new ATOM 473 N ALA A 38 6.943 -0.187 1.364 1.00 0.00 N ATOM 474 CA ALA A 38 7.772 -0.808 2.381 1.00 0.00 C ATOM 475 C ALA A 38 8.694 0.216 3.030 1.00 0.00 C ATOM 476 O ALA A 38 8.836 1.337 2.536 1.00 0.00 O ATOM 477 CB ALA A 38 8.579 -1.951 1.784 1.00 0.00 C ATOM 0 H ALA A 38 7.422 -0.012 0.480 1.00 0.00 H new ATOM 0 HA ALA A 38 7.118 -1.212 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.195 -2.406 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.901 -2.700 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.220 -1.568 0.990 1.00 0.00 H new ATOM 483 N TRP A 39 9.301 -0.178 4.143 1.00 0.00 N ATOM 484 CA TRP A 39 10.222 0.675 4.883 1.00 0.00 C ATOM 485 C TRP A 39 11.380 1.119 3.998 1.00 0.00 C ATOM 486 O TRP A 39 12.221 0.309 3.603 1.00 0.00 O ATOM 487 CB TRP A 39 10.761 -0.076 6.101 1.00 0.00 C ATOM 488 CG TRP A 39 10.502 0.623 7.399 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.317 1.146 7.824 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.447 0.867 8.446 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.468 1.705 9.069 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.766 1.546 9.472 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.804 0.578 8.615 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.394 1.940 10.649 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.427 0.971 9.784 1.00 0.00 C ATOM 496 CH2 TRP A 39 12.721 1.644 10.788 1.00 0.00 C ATOM 0 H TRP A 39 9.168 -1.100 4.558 1.00 0.00 H new ATOM 0 HA TRP A 39 9.680 1.561 5.213 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.309 -1.067 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 39 11.835 -0.219 5.983 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.394 1.124 7.263 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.732 2.164 9.606 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.355 0.057 7.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.853 2.461 11.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.476 0.755 9.925 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.236 1.936 11.692 1.00 0.00 H new ATOM 507 N VAL A 40 11.433 2.407 3.705 1.00 0.00 N ATOM 508 CA VAL A 40 12.479 2.943 2.853 1.00 0.00 C ATOM 509 C VAL A 40 13.588 3.575 3.689 1.00 0.00 C ATOM 510 O VAL A 40 14.707 3.761 3.215 1.00 0.00 O ATOM 511 CB VAL A 40 11.905 3.968 1.847 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.787 5.357 2.458 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.743 3.995 0.579 1.00 0.00 C ATOM 0 H VAL A 40 10.765 3.099 4.044 1.00 0.00 H new ATOM 0 HA VAL A 40 12.906 2.115 2.286 1.00 0.00 H new ATOM 0 HB VAL A 40 10.896 3.648 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.380 6.046 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.124 5.319 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.772 5.702 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.325 4.721 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.767 4.276 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.739 3.007 0.119 1.00 0.00 H new ATOM 523 N ASP A 41 13.268 3.889 4.937 1.00 0.00 N ATOM 524 CA ASP A 41 14.228 4.494 5.850 1.00 0.00 C ATOM 525 C ASP A 41 13.696 4.408 7.275 1.00 0.00 C ATOM 526 O ASP A 41 12.613 3.868 7.501 1.00 0.00 O ATOM 527 CB ASP A 41 14.497 5.953 5.463 1.00 0.00 C ATOM 528 CG ASP A 41 15.801 6.480 6.033 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.871 6.185 5.464 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.764 7.181 7.063 1.00 0.00 O ATOM 0 H ASP A 41 12.345 3.733 5.342 1.00 0.00 H new ATOM 0 HA ASP A 41 15.171 3.951 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.520 6.038 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.674 6.575 5.814 1.00 0.00 H new ATOM 535 N THR A 42 14.439 4.954 8.224 1.00 0.00 N ATOM 536 CA THR A 42 14.041 4.923 9.620 1.00 0.00 C ATOM 537 C THR A 42 12.823 5.814 9.864 1.00 0.00 C ATOM 538 O THR A 42 12.936 7.039 9.951 1.00 0.00 O ATOM 539 CB THR A 42 15.208 5.358 10.526 1.00 0.00 C ATOM 540 OG1 THR A 42 16.368 4.563 10.236 1.00 0.00 O ATOM 541 CG2 THR A 42 14.850 5.213 11.999 1.00 0.00 C ATOM 0 H THR A 42 15.326 5.426 8.050 1.00 0.00 H new ATOM 0 HA THR A 42 13.769 3.897 9.867 1.00 0.00 H new ATOM 0 HB THR A 42 15.417 6.409 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.109 4.843 10.813 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.695 5.528 12.611 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.985 5.836 12.226 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.614 4.171 12.215 1.00 0.00 H new ATOM 549 N GLY A 43 11.656 5.183 9.941 1.00 0.00 N ATOM 550 CA GLY A 43 10.425 5.910 10.178 1.00 0.00 C ATOM 551 C GLY A 43 9.784 6.409 8.900 1.00 0.00 C ATOM 552 O GLY A 43 8.784 7.124 8.938 1.00 0.00 O ATOM 0 H GLY A 43 11.542 4.174 9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.722 5.264 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.629 6.758 10.832 1.00 0.00 H new ATOM 556 N VAL A 44 10.356 6.031 7.764 1.00 0.00 N ATOM 557 CA VAL A 44 9.835 6.454 6.472 1.00 0.00 C ATOM 558 C VAL A 44 9.651 5.260 5.546 1.00 0.00 C ATOM 559 O VAL A 44 10.493 4.366 5.490 1.00 0.00 O ATOM 560 CB VAL A 44 10.767 7.479 5.780 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.094 8.079 4.555 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.191 8.578 6.742 1.00 0.00 C ATOM 0 H VAL A 44 11.180 5.433 7.712 1.00 0.00 H new ATOM 0 HA VAL A 44 8.873 6.928 6.665 1.00 0.00 H new ATOM 0 HB VAL A 44 11.662 6.947 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.767 8.796 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.856 7.286 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.177 8.585 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.844 9.281 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.308 9.103 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.725 8.138 7.584 1.00 0.00 H new ATOM 572 N LEU A 45 8.545 5.250 4.827 1.00 0.00 N ATOM 573 CA LEU A 45 8.250 4.182 3.887 1.00 0.00 C ATOM 574 C LEU A 45 8.104 4.776 2.490 1.00 0.00 C ATOM 575 O LEU A 45 8.101 5.995 2.336 1.00 0.00 O ATOM 576 CB LEU A 45 6.977 3.435 4.297 1.00 0.00 C ATOM 577 CG LEU A 45 7.014 2.814 5.696 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.310 3.709 6.705 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.401 1.422 5.684 1.00 0.00 C ATOM 0 H LEU A 45 7.830 5.975 4.876 1.00 0.00 H new ATOM 0 HA LEU A 45 9.068 3.462 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.135 4.126 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.787 2.645 3.570 1.00 0.00 H new ATOM 0 HG LEU A 45 8.057 2.722 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.349 3.247 7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.806 4.679 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.270 3.843 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.438 1.000 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.364 1.484 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.961 0.784 5.001 1.00 0.00 H new ATOM 591 N ALA A 46 7.997 3.933 1.477 1.00 0.00 N ATOM 592 CA ALA A 46 7.862 4.416 0.111 1.00 0.00 C ATOM 593 C ALA A 46 6.939 3.521 -0.701 1.00 0.00 C ATOM 594 O ALA A 46 7.089 2.301 -0.696 1.00 0.00 O ATOM 595 CB ALA A 46 9.230 4.509 -0.542 1.00 0.00 C ATOM 0 H ALA A 46 8.001 2.917 1.572 1.00 0.00 H new ATOM 0 HA ALA A 46 7.415 5.410 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.121 4.871 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.857 5.199 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.695 3.523 -0.554 1.00 0.00 H new ATOM 601 N CYS A 47 5.983 4.135 -1.388 1.00 0.00 N ATOM 602 CA CYS A 47 5.019 3.400 -2.206 1.00 0.00 C ATOM 603 C CYS A 47 5.553 3.178 -3.615 1.00 0.00 C ATOM 604 O CYS A 47 6.553 3.770 -4.004 1.00 0.00 O ATOM 605 CB CYS A 47 3.691 4.156 -2.269 1.00 0.00 C ATOM 606 SG CYS A 47 2.811 4.238 -0.678 1.00 0.00 S ATOM 0 H CYS A 47 5.852 5.147 -1.396 1.00 0.00 H new ATOM 0 HA CYS A 47 4.857 2.427 -1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.878 5.170 -2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.046 3.676 -3.005 1.00 0.00 H new ATOM 611 N ASN A 48 4.880 2.321 -4.375 1.00 0.00 N ATOM 612 CA ASN A 48 5.288 2.019 -5.740 1.00 0.00 C ATOM 613 C ASN A 48 4.354 2.685 -6.751 1.00 0.00 C ATOM 614 O ASN A 48 3.157 2.408 -6.783 1.00 0.00 O ATOM 615 CB ASN A 48 5.330 0.501 -5.974 1.00 0.00 C ATOM 616 CG ASN A 48 3.990 -0.188 -5.759 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.203 0.191 -4.889 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.726 -1.218 -6.543 1.00 0.00 N ATOM 0 H ASN A 48 4.046 1.822 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 48 6.291 2.420 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.668 0.308 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.067 0.059 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.848 -1.727 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.400 -1.505 -7.253 1.00 0.00 H new ATOM 625 N PRO A 49 4.892 3.574 -7.597 1.00 0.00 N ATOM 626 CA PRO A 49 4.112 4.279 -8.612 1.00 0.00 C ATOM 627 C PRO A 49 3.986 3.473 -9.905 1.00 0.00 C ATOM 628 O PRO A 49 4.179 4.002 -11.001 1.00 0.00 O ATOM 629 CB PRO A 49 4.943 5.539 -8.840 1.00 0.00 C ATOM 630 CG PRO A 49 6.351 5.083 -8.654 1.00 0.00 C ATOM 631 CD PRO A 49 6.310 3.980 -7.626 1.00 0.00 C ATOM 0 HA PRO A 49 3.084 4.469 -8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.784 5.946 -9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.681 6.324 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.770 4.723 -9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.984 5.904 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.958 3.149 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.645 4.331 -6.650 1.00 0.00 H new ATOM 639 N ALA A 50 3.663 2.193 -9.775 1.00 0.00 N ATOM 640 CA ALA A 50 3.527 1.328 -10.936 1.00 0.00 C ATOM 641 C ALA A 50 2.416 0.305 -10.736 1.00 0.00 C ATOM 642 O ALA A 50 1.393 0.350 -11.414 1.00 0.00 O ATOM 643 CB ALA A 50 4.848 0.637 -11.232 1.00 0.00 C ATOM 0 H ALA A 50 3.491 1.734 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 50 3.255 1.946 -11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.734 -0.008 -12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.614 1.386 -11.433 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.145 0.036 -10.372 1.00 0.00 H new ATOM 649 N ASP A 51 2.609 -0.604 -9.789 1.00 0.00 N ATOM 650 CA ASP A 51 1.620 -1.643 -9.517 1.00 0.00 C ATOM 651 C ASP A 51 0.625 -1.205 -8.454 1.00 0.00 C ATOM 652 O ASP A 51 0.001 -2.041 -7.797 1.00 0.00 O ATOM 653 CB ASP A 51 2.299 -2.935 -9.070 1.00 0.00 C ATOM 654 CG ASP A 51 2.900 -3.701 -10.223 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.145 -4.385 -10.948 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.135 -3.635 -10.403 1.00 0.00 O ATOM 0 H ASP A 51 3.439 -0.644 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 51 1.080 -1.820 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.081 -2.700 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.572 -3.566 -8.559 1.00 0.00 H new ATOM 661 N PHE A 52 0.487 0.099 -8.272 1.00 0.00 N ATOM 662 CA PHE A 52 -0.447 0.619 -7.293 1.00 0.00 C ATOM 663 C PHE A 52 -1.834 0.691 -7.913 1.00 0.00 C ATOM 664 O PHE A 52 -1.976 0.734 -9.137 1.00 0.00 O ATOM 665 CB PHE A 52 -0.007 2.003 -6.786 1.00 0.00 C ATOM 666 CG PHE A 52 -0.287 3.137 -7.735 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.629 3.485 -8.713 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.467 3.859 -7.645 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.374 4.527 -9.583 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.728 4.902 -8.511 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.807 5.236 -9.482 1.00 0.00 C ATOM 0 H PHE A 52 1.007 0.810 -8.786 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.468 -0.052 -6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.510 2.206 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.063 1.976 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.555 2.935 -8.797 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.192 3.602 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.097 4.787 -10.342 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.652 5.455 -8.428 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.009 6.050 -10.162 1.00 0.00 H new ATOM 681 N SER A 53 -2.853 0.674 -7.079 1.00 0.00 N ATOM 682 CA SER A 53 -4.221 0.737 -7.559 1.00 0.00 C ATOM 683 C SER A 53 -5.100 1.504 -6.583 1.00 0.00 C ATOM 684 O SER A 53 -5.555 0.959 -5.575 1.00 0.00 O ATOM 685 CB SER A 53 -4.771 -0.674 -7.786 1.00 0.00 C ATOM 686 OG SER A 53 -3.941 -1.396 -8.683 1.00 0.00 O ATOM 0 H SER A 53 -2.761 0.617 -6.065 1.00 0.00 H new ATOM 0 HA SER A 53 -4.228 1.269 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.834 -1.203 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.783 -0.615 -8.186 1.00 0.00 H new ATOM 0 HG SER A 53 -4.307 -2.296 -8.815 1.00 0.00 H new ATOM 692 N SER A 54 -5.305 2.780 -6.877 1.00 0.00 N ATOM 693 CA SER A 54 -6.130 3.636 -6.047 1.00 0.00 C ATOM 694 C SER A 54 -7.583 3.189 -6.096 1.00 0.00 C ATOM 695 O SER A 54 -8.120 2.897 -7.166 1.00 0.00 O ATOM 696 CB SER A 54 -6.007 5.077 -6.526 1.00 0.00 C ATOM 697 OG SER A 54 -4.692 5.338 -6.980 1.00 0.00 O ATOM 0 H SER A 54 -4.906 3.245 -7.692 1.00 0.00 H new ATOM 0 HA SER A 54 -5.787 3.567 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.719 5.261 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.260 5.759 -5.714 1.00 0.00 H new ATOM 0 HG SER A 54 -4.073 5.317 -6.220 1.00 0.00 H new ATOM 703 N VAL A 55 -8.216 3.130 -4.940 1.00 0.00 N ATOM 704 CA VAL A 55 -9.602 2.717 -4.860 1.00 0.00 C ATOM 705 C VAL A 55 -10.413 3.735 -4.069 1.00 0.00 C ATOM 706 O VAL A 55 -9.992 4.197 -3.007 1.00 0.00 O ATOM 707 CB VAL A 55 -9.732 1.310 -4.231 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.078 1.256 -2.859 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.187 0.882 -4.147 1.00 0.00 C ATOM 0 H VAL A 55 -7.791 3.363 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.998 2.666 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.208 0.610 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.186 0.254 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.019 1.498 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.559 1.977 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.249 -0.111 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.740 1.592 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.617 0.858 -5.148 1.00 0.00 H new ATOM 719 N THR A 56 -11.566 4.102 -4.598 1.00 0.00 N ATOM 720 CA THR A 56 -12.425 5.065 -3.940 1.00 0.00 C ATOM 721 C THR A 56 -13.538 4.349 -3.188 1.00 0.00 C ATOM 722 O THR A 56 -14.205 3.474 -3.740 1.00 0.00 O ATOM 723 CB THR A 56 -13.026 6.055 -4.957 1.00 0.00 C ATOM 724 OG1 THR A 56 -11.990 6.570 -5.805 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.720 7.209 -4.250 1.00 0.00 C ATOM 0 H THR A 56 -11.928 3.746 -5.483 1.00 0.00 H new ATOM 0 HA THR A 56 -11.820 5.629 -3.230 1.00 0.00 H new ATOM 0 HB THR A 56 -13.763 5.521 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.377 7.197 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.135 7.893 -4.991 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.523 6.822 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.000 7.741 -3.629 1.00 0.00 H new ATOM 733 N ALA A 57 -13.716 4.709 -1.925 1.00 0.00 N ATOM 734 CA ALA A 57 -14.745 4.103 -1.095 1.00 0.00 C ATOM 735 C ALA A 57 -16.130 4.345 -1.684 1.00 0.00 C ATOM 736 O ALA A 57 -16.456 5.468 -2.091 1.00 0.00 O ATOM 737 CB ALA A 57 -14.659 4.647 0.321 1.00 0.00 C ATOM 0 H ALA A 57 -13.159 5.420 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.578 3.026 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.433 4.187 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.679 4.417 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.802 5.727 0.305 1.00 0.00 H new ATOM 743 N ASP A 58 -16.927 3.286 -1.741 1.00 0.00 N ATOM 744 CA ASP A 58 -18.280 3.366 -2.275 1.00 0.00 C ATOM 745 C ASP A 58 -19.219 4.011 -1.265 1.00 0.00 C ATOM 746 O ASP A 58 -18.795 4.398 -0.175 1.00 0.00 O ATOM 747 CB ASP A 58 -18.800 1.973 -2.691 1.00 0.00 C ATOM 748 CG ASP A 58 -18.891 0.955 -1.557 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.655 1.314 -0.384 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.205 -0.224 -1.845 1.00 0.00 O ATOM 0 H ASP A 58 -16.657 2.356 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.251 3.992 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.788 2.088 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.146 1.574 -3.466 1.00 0.00 H new ATOM 755 N ALA A 59 -20.493 4.118 -1.625 1.00 0.00 N ATOM 756 CA ALA A 59 -21.498 4.727 -0.756 1.00 0.00 C ATOM 757 C ALA A 59 -21.690 3.919 0.525 1.00 0.00 C ATOM 758 O ALA A 59 -22.252 4.408 1.507 1.00 0.00 O ATOM 759 CB ALA A 59 -22.821 4.874 -1.496 1.00 0.00 C ATOM 0 H ALA A 59 -20.858 3.789 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.140 5.717 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.559 5.329 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.679 5.507 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.173 3.892 -1.811 1.00 0.00 H new ATOM 765 N ASN A 60 -21.206 2.686 0.512 1.00 0.00 N ATOM 766 CA ASN A 60 -21.314 1.802 1.665 1.00 0.00 C ATOM 767 C ASN A 60 -20.151 2.043 2.617 1.00 0.00 C ATOM 768 O ASN A 60 -20.126 1.521 3.733 1.00 0.00 O ATOM 769 CB ASN A 60 -21.329 0.334 1.226 1.00 0.00 C ATOM 770 CG ASN A 60 -22.522 -0.008 0.352 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.624 0.500 0.557 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.308 -0.867 -0.633 1.00 0.00 N ATOM 0 H ASN A 60 -20.731 2.272 -0.290 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.251 2.020 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.411 0.113 0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.337 -0.304 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.072 -1.130 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.379 -1.266 -0.769 1.00 0.00 H new ATOM 779 N GLY A 61 -19.188 2.836 2.164 1.00 0.00 N ATOM 780 CA GLY A 61 -18.028 3.142 2.974 1.00 0.00 C ATOM 781 C GLY A 61 -16.994 2.041 2.919 1.00 0.00 C ATOM 782 O GLY A 61 -16.267 1.813 3.885 1.00 0.00 O ATOM 0 H GLY A 61 -19.192 3.275 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.582 4.076 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.338 3.297 4.007 1.00 0.00 H new ATOM 786 N SER A 62 -16.929 1.358 1.787 1.00 0.00 N ATOM 787 CA SER A 62 -15.990 0.266 1.607 1.00 0.00 C ATOM 788 C SER A 62 -15.172 0.458 0.334 1.00 0.00 C ATOM 789 O SER A 62 -15.652 1.032 -0.644 1.00 0.00 O ATOM 790 CB SER A 62 -16.752 -1.060 1.565 1.00 0.00 C ATOM 791 OG SER A 62 -18.136 -0.843 1.325 1.00 0.00 O ATOM 0 H SER A 62 -17.519 1.543 0.976 1.00 0.00 H new ATOM 0 HA SER A 62 -15.296 0.253 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.339 -1.697 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.621 -1.589 2.509 1.00 0.00 H new ATOM 0 HG SER A 62 -18.244 -0.186 0.606 1.00 0.00 H new ATOM 797 N ALA A 63 -13.933 -0.003 0.361 1.00 0.00 N ATOM 798 CA ALA A 63 -13.045 0.118 -0.783 1.00 0.00 C ATOM 799 C ALA A 63 -12.151 -1.109 -0.901 1.00 0.00 C ATOM 800 O ALA A 63 -11.329 -1.373 -0.023 1.00 0.00 O ATOM 801 CB ALA A 63 -12.203 1.380 -0.662 1.00 0.00 C ATOM 0 H ALA A 63 -13.517 -0.467 1.168 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.651 0.187 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.542 1.460 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.857 2.251 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.607 1.334 0.249 1.00 0.00 H new ATOM 807 N SER A 64 -12.326 -1.862 -1.979 1.00 0.00 N ATOM 808 CA SER A 64 -11.532 -3.061 -2.208 1.00 0.00 C ATOM 809 C SER A 64 -10.622 -2.883 -3.422 1.00 0.00 C ATOM 810 O SER A 64 -11.074 -2.475 -4.493 1.00 0.00 O ATOM 811 CB SER A 64 -12.449 -4.267 -2.404 1.00 0.00 C ATOM 812 OG SER A 64 -13.657 -4.113 -1.671 1.00 0.00 O ATOM 0 H SER A 64 -13.011 -1.663 -2.708 1.00 0.00 H new ATOM 0 HA SER A 64 -10.904 -3.233 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.675 -4.388 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.937 -5.174 -2.082 1.00 0.00 H new ATOM 0 HG SER A 64 -14.228 -4.896 -1.814 1.00 0.00 H new ATOM 818 N THR A 65 -9.347 -3.196 -3.251 1.00 0.00 N ATOM 819 CA THR A 65 -8.375 -3.061 -4.324 1.00 0.00 C ATOM 820 C THR A 65 -7.443 -4.274 -4.362 1.00 0.00 C ATOM 821 O THR A 65 -7.383 -5.053 -3.404 1.00 0.00 O ATOM 822 CB THR A 65 -7.554 -1.761 -4.155 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.679 -1.562 -5.273 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.745 -1.785 -2.868 1.00 0.00 C ATOM 0 H THR A 65 -8.960 -3.547 -2.375 1.00 0.00 H new ATOM 0 HA THR A 65 -8.916 -3.009 -5.269 1.00 0.00 H new ATOM 0 HB THR A 65 -8.260 -0.932 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.363 -0.634 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.179 -0.858 -2.777 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.418 -1.884 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.057 -2.630 -2.886 1.00 0.00 H new ATOM 832 N SER A 66 -6.726 -4.426 -5.469 1.00 0.00 N ATOM 833 CA SER A 66 -5.800 -5.536 -5.652 1.00 0.00 C ATOM 834 C SER A 66 -4.426 -5.010 -6.068 1.00 0.00 C ATOM 835 O SER A 66 -4.271 -4.452 -7.156 1.00 0.00 O ATOM 836 CB SER A 66 -6.348 -6.487 -6.715 1.00 0.00 C ATOM 837 OG SER A 66 -7.767 -6.520 -6.687 1.00 0.00 O ATOM 0 H SER A 66 -6.770 -3.786 -6.262 1.00 0.00 H new ATOM 0 HA SER A 66 -5.693 -6.076 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.008 -6.171 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.954 -7.490 -6.548 1.00 0.00 H new ATOM 0 HG SER A 66 -8.094 -7.134 -7.377 1.00 0.00 H new ATOM 843 N LEU A 67 -3.429 -5.196 -5.211 1.00 0.00 N ATOM 844 CA LEU A 67 -2.078 -4.707 -5.487 1.00 0.00 C ATOM 845 C LEU A 67 -1.138 -5.844 -5.868 1.00 0.00 C ATOM 846 O LEU A 67 -1.217 -6.936 -5.313 1.00 0.00 O ATOM 847 CB LEU A 67 -1.510 -3.975 -4.259 1.00 0.00 C ATOM 848 CG LEU A 67 -2.299 -2.752 -3.776 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.810 -1.938 -4.952 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.446 -3.181 -2.871 1.00 0.00 C ATOM 0 H LEU A 67 -3.528 -5.681 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.150 -4.017 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.443 -4.687 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.493 -3.658 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.627 -2.117 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.366 -1.076 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.967 -1.596 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.464 -2.557 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.995 -2.301 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.117 -3.840 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.048 -3.710 -2.005 1.00 0.00 H new ATOM 862 N THR A 68 -0.250 -5.584 -6.811 1.00 0.00 N ATOM 863 CA THR A 68 0.715 -6.581 -7.237 1.00 0.00 C ATOM 864 C THR A 68 2.063 -6.316 -6.571 1.00 0.00 C ATOM 865 O THR A 68 2.771 -5.378 -6.936 1.00 0.00 O ATOM 866 CB THR A 68 0.874 -6.569 -8.766 1.00 0.00 C ATOM 867 OG1 THR A 68 0.137 -5.467 -9.324 1.00 0.00 O ATOM 868 CG2 THR A 68 0.377 -7.876 -9.367 1.00 0.00 C ATOM 0 H THR A 68 -0.177 -4.690 -7.297 1.00 0.00 H new ATOM 0 HA THR A 68 0.351 -7.564 -6.937 1.00 0.00 H new ATOM 0 HB THR A 68 1.932 -6.456 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.709 -4.973 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.498 -7.848 -10.450 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.953 -8.706 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.677 -8.011 -9.123 1.00 0.00 H new ATOM 876 N VAL A 69 2.403 -7.127 -5.578 1.00 0.00 N ATOM 877 CA VAL A 69 3.655 -6.957 -4.852 1.00 0.00 C ATOM 878 C VAL A 69 4.842 -7.503 -5.647 1.00 0.00 C ATOM 879 O VAL A 69 4.936 -8.699 -5.922 1.00 0.00 O ATOM 880 CB VAL A 69 3.589 -7.607 -3.446 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.265 -9.095 -3.518 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.881 -7.370 -2.682 1.00 0.00 C ATOM 0 H VAL A 69 1.831 -7.908 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 69 3.806 -5.886 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 69 2.774 -7.127 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.229 -9.509 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.298 -9.234 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.036 -9.608 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.813 -7.835 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.714 -7.807 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.044 -6.298 -2.567 1.00 0.00 H new ATOM 892 N ARG A 70 5.738 -6.608 -6.035 1.00 0.00 N ATOM 893 CA ARG A 70 6.921 -6.987 -6.797 1.00 0.00 C ATOM 894 C ARG A 70 8.106 -7.230 -5.866 1.00 0.00 C ATOM 895 O ARG A 70 8.066 -6.856 -4.693 1.00 0.00 O ATOM 896 CB ARG A 70 7.281 -5.895 -7.809 1.00 0.00 C ATOM 897 CG ARG A 70 6.144 -5.521 -8.742 1.00 0.00 C ATOM 898 CD ARG A 70 5.740 -6.679 -9.641 1.00 0.00 C ATOM 899 NE ARG A 70 4.602 -6.330 -10.486 1.00 0.00 N ATOM 900 CZ ARG A 70 3.993 -7.176 -11.313 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.429 -8.422 -11.441 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.941 -6.771 -12.007 1.00 0.00 N ATOM 0 H ARG A 70 5.669 -5.610 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 70 6.695 -7.909 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.602 -5.005 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.130 -6.231 -8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.283 -5.201 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.444 -4.672 -9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.585 -6.966 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.488 -7.545 -9.029 1.00 0.00 H new ATOM 0 HE ARG A 70 4.250 -5.374 -10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.236 -8.738 -10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.957 -9.065 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.601 -5.815 -11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.470 -7.415 -12.642 1.00 0.00 H new ATOM 916 N ARG A 71 9.161 -7.843 -6.397 1.00 0.00 N ATOM 917 CA ARG A 71 10.359 -8.124 -5.616 1.00 0.00 C ATOM 918 C ARG A 71 11.221 -6.867 -5.536 1.00 0.00 C ATOM 919 O ARG A 71 12.044 -6.709 -4.637 1.00 0.00 O ATOM 920 CB ARG A 71 11.147 -9.274 -6.250 1.00 0.00 C ATOM 921 CG ARG A 71 12.123 -9.945 -5.299 1.00 0.00 C ATOM 922 CD ARG A 71 11.417 -10.877 -4.325 1.00 0.00 C ATOM 923 NE ARG A 71 10.944 -12.094 -4.981 1.00 0.00 N ATOM 924 CZ ARG A 71 10.819 -13.275 -4.383 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.123 -13.422 -3.096 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.387 -14.313 -5.086 1.00 0.00 N ATOM 0 H ARG A 71 9.209 -8.155 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 71 10.070 -8.422 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.446 -10.021 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.696 -8.894 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.859 -10.509 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.669 -9.183 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.099 -11.142 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.573 -10.357 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 71 10.692 -12.033 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.456 -12.623 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.023 -14.333 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.155 -14.200 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.286 -15.225 -4.640 1.00 0.00 H new ATOM 940 N SER A 72 11.025 -5.978 -6.498 1.00 0.00 N ATOM 941 CA SER A 72 11.746 -4.720 -6.550 1.00 0.00 C ATOM 942 C SER A 72 10.827 -3.631 -7.089 1.00 0.00 C ATOM 943 O SER A 72 10.239 -3.775 -8.163 1.00 0.00 O ATOM 944 CB SER A 72 12.993 -4.849 -7.426 1.00 0.00 C ATOM 945 OG SER A 72 13.934 -5.727 -6.831 1.00 0.00 O ATOM 0 H SER A 72 10.362 -6.110 -7.262 1.00 0.00 H new ATOM 0 HA SER A 72 12.068 -4.453 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.714 -5.221 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.445 -3.868 -7.571 1.00 0.00 H new ATOM 0 HG SER A 72 14.724 -5.798 -7.406 1.00 0.00 H new ATOM 951 N PHE A 73 10.685 -2.555 -6.335 1.00 0.00 N ATOM 952 CA PHE A 73 9.818 -1.466 -6.743 1.00 0.00 C ATOM 953 C PHE A 73 10.476 -0.121 -6.481 1.00 0.00 C ATOM 954 O PHE A 73 11.393 -0.011 -5.662 1.00 0.00 O ATOM 955 CB PHE A 73 8.471 -1.548 -6.012 1.00 0.00 C ATOM 956 CG PHE A 73 8.562 -1.342 -4.525 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.945 -2.378 -3.687 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.258 -0.109 -3.965 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.023 -2.189 -2.322 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.336 0.084 -2.602 1.00 0.00 C ATOM 961 CZ PHE A 73 8.719 -0.956 -1.780 1.00 0.00 C ATOM 0 H PHE A 73 11.157 -2.413 -5.442 1.00 0.00 H new ATOM 0 HA PHE A 73 9.642 -1.559 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.797 -0.800 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.024 -2.523 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.185 -3.344 -4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.957 0.708 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.321 -3.004 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.098 1.048 -2.178 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.781 -0.806 -0.712 1.00 0.00 H new ATOM 971 N GLU A 74 10.013 0.882 -7.201 1.00 0.00 N ATOM 972 CA GLU A 74 10.515 2.234 -7.059 1.00 0.00 C ATOM 973 C GLU A 74 9.849 2.904 -5.867 1.00 0.00 C ATOM 974 O GLU A 74 8.643 3.117 -5.867 1.00 0.00 O ATOM 975 CB GLU A 74 10.242 3.037 -8.336 1.00 0.00 C ATOM 976 CG GLU A 74 10.396 2.228 -9.614 1.00 0.00 C ATOM 977 CD GLU A 74 9.089 1.613 -10.084 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.674 0.574 -9.525 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.477 2.159 -11.025 1.00 0.00 O ATOM 0 H GLU A 74 9.278 0.782 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 74 11.592 2.199 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.230 3.440 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.922 3.888 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.793 2.871 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.127 1.436 -9.451 1.00 0.00 H new ATOM 986 N GLY A 75 10.636 3.217 -4.853 1.00 0.00 N ATOM 987 CA GLY A 75 10.104 3.848 -3.667 1.00 0.00 C ATOM 988 C GLY A 75 9.756 5.304 -3.893 1.00 0.00 C ATOM 989 O GLY A 75 10.620 6.105 -4.269 1.00 0.00 O ATOM 0 H GLY A 75 11.641 3.044 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.213 3.311 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.834 3.773 -2.861 1.00 0.00 H new ATOM 993 N PHE A 76 8.499 5.654 -3.651 1.00 0.00 N ATOM 994 CA PHE A 76 8.029 7.015 -3.839 1.00 0.00 C ATOM 995 C PHE A 76 7.326 7.498 -2.588 1.00 0.00 C ATOM 996 O PHE A 76 6.576 6.746 -1.961 1.00 0.00 O ATOM 997 CB PHE A 76 7.059 7.087 -5.020 1.00 0.00 C ATOM 998 CG PHE A 76 7.684 7.511 -6.322 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.759 6.818 -6.854 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.185 8.602 -7.019 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.327 7.204 -8.054 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.749 8.992 -8.218 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.821 8.293 -8.736 1.00 0.00 C ATOM 0 H PHE A 76 7.784 5.006 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 76 8.891 7.650 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.599 6.108 -5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.258 7.784 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.158 5.965 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.346 9.153 -6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.165 6.655 -8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.352 9.844 -8.750 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.263 8.597 -9.673 1.00 0.00 H new ATOM 1013 N LEU A 77 7.576 8.736 -2.214 1.00 0.00 N ATOM 1014 CA LEU A 77 6.931 9.306 -1.050 1.00 0.00 C ATOM 1015 C LEU A 77 5.487 9.635 -1.401 1.00 0.00 C ATOM 1016 O LEU A 77 5.159 9.804 -2.576 1.00 0.00 O ATOM 1017 CB LEU A 77 7.665 10.561 -0.568 1.00 0.00 C ATOM 1018 CG LEU A 77 9.148 10.371 -0.237 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.704 11.608 0.448 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.353 9.142 0.637 1.00 0.00 C ATOM 0 H LEU A 77 8.218 9.364 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 77 6.958 8.581 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.578 11.329 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.158 10.939 0.320 1.00 0.00 H new ATOM 0 HG LEU A 77 9.688 10.220 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.759 11.455 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.597 12.469 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.156 11.789 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.414 9.027 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.798 9.261 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.994 8.257 0.111 1.00 0.00 H new ATOM 1032 N PHE A 78 4.636 9.749 -0.392 1.00 0.00 N ATOM 1033 CA PHE A 78 3.220 10.031 -0.614 1.00 0.00 C ATOM 1034 C PHE A 78 3.014 11.389 -1.280 1.00 0.00 C ATOM 1035 O PHE A 78 1.973 11.644 -1.879 1.00 0.00 O ATOM 1036 CB PHE A 78 2.456 9.961 0.704 1.00 0.00 C ATOM 1037 CG PHE A 78 1.138 9.252 0.586 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.092 7.876 0.429 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.050 9.958 0.624 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.117 7.218 0.316 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.261 9.305 0.513 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.297 7.934 0.358 1.00 0.00 C ATOM 0 H PHE A 78 4.898 9.651 0.589 1.00 0.00 H new ATOM 0 HA PHE A 78 2.831 9.271 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.070 9.451 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.285 10.973 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.012 7.312 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.030 11.031 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.140 6.145 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.182 9.868 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.244 7.423 0.270 1.00 0.00 H new ATOM 1052 N ASP A 79 4.010 12.257 -1.167 1.00 0.00 N ATOM 1053 CA ASP A 79 3.943 13.581 -1.772 1.00 0.00 C ATOM 1054 C ASP A 79 4.321 13.513 -3.253 1.00 0.00 C ATOM 1055 O ASP A 79 3.874 14.336 -4.055 1.00 0.00 O ATOM 1056 CB ASP A 79 4.853 14.570 -1.031 1.00 0.00 C ATOM 1057 CG ASP A 79 6.203 13.982 -0.679 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.964 13.640 -1.603 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.506 13.859 0.530 1.00 0.00 O ATOM 0 H ASP A 79 4.875 12.068 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 79 2.917 13.939 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.999 15.455 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.356 14.898 -0.118 1.00 0.00 H new ATOM 1064 N GLY A 80 5.127 12.520 -3.618 1.00 0.00 N ATOM 1065 CA GLY A 80 5.534 12.367 -5.003 1.00 0.00 C ATOM 1066 C GLY A 80 7.044 12.317 -5.185 1.00 0.00 C ATOM 1067 O GLY A 80 7.531 12.042 -6.282 1.00 0.00 O ATOM 0 H GLY A 80 5.505 11.820 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.096 11.453 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.132 13.196 -5.586 1.00 0.00 H new ATOM 1071 N THR A 81 7.789 12.583 -4.120 1.00 0.00 N ATOM 1072 CA THR A 81 9.248 12.565 -4.186 1.00 0.00 C ATOM 1073 C THR A 81 9.783 11.137 -4.357 1.00 0.00 C ATOM 1074 O THR A 81 9.356 10.212 -3.665 1.00 0.00 O ATOM 1075 CB THR A 81 9.860 13.195 -2.920 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.175 14.418 -2.607 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.340 13.473 -3.111 1.00 0.00 C ATOM 0 H THR A 81 7.410 12.813 -3.201 1.00 0.00 H new ATOM 0 HA THR A 81 9.540 13.152 -5.057 1.00 0.00 H new ATOM 0 HB THR A 81 9.746 12.489 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.530 14.257 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.747 13.917 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.861 12.539 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.476 14.162 -3.945 1.00 0.00 H new ATOM 1085 N ARG A 82 10.709 10.968 -5.292 1.00 0.00 N ATOM 1086 CA ARG A 82 11.303 9.667 -5.559 1.00 0.00 C ATOM 1087 C ARG A 82 12.468 9.417 -4.606 1.00 0.00 C ATOM 1088 O ARG A 82 13.341 10.269 -4.452 1.00 0.00 O ATOM 1089 CB ARG A 82 11.779 9.604 -7.019 1.00 0.00 C ATOM 1090 CG ARG A 82 12.729 8.456 -7.327 1.00 0.00 C ATOM 1091 CD ARG A 82 14.173 8.942 -7.429 1.00 0.00 C ATOM 1092 NE ARG A 82 15.067 7.907 -7.954 1.00 0.00 N ATOM 1093 CZ ARG A 82 16.401 7.959 -7.876 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.990 8.982 -7.267 1.00 0.00 N ATOM 1095 NH2 ARG A 82 17.135 6.983 -8.410 1.00 0.00 N ATOM 0 H ARG A 82 11.066 11.721 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 82 10.554 8.891 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.907 9.521 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.273 10.543 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.652 7.699 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.436 7.980 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.215 9.819 -8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.520 9.255 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 82 14.646 7.096 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.425 9.727 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.007 9.023 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.679 6.199 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.153 7.020 -8.352 1.00 0.00 H new ATOM 1109 N TRP A 83 12.476 8.261 -3.963 1.00 0.00 N ATOM 1110 CA TRP A 83 13.545 7.924 -3.034 1.00 0.00 C ATOM 1111 C TRP A 83 14.575 7.016 -3.703 1.00 0.00 C ATOM 1112 O TRP A 83 15.705 7.430 -3.968 1.00 0.00 O ATOM 1113 CB TRP A 83 12.973 7.247 -1.785 1.00 0.00 C ATOM 1114 CG TRP A 83 13.962 7.105 -0.666 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.025 6.249 -0.611 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.971 7.834 0.572 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.693 6.402 0.579 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.066 7.370 1.323 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.161 8.832 1.114 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.370 7.871 2.587 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.463 9.331 2.368 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.557 8.849 3.093 1.00 0.00 C ATOM 0 H TRP A 83 11.759 7.543 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 83 14.042 8.847 -2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.118 7.823 -1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.602 6.259 -2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.300 5.553 -1.390 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.522 5.880 0.864 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.312 9.209 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.216 7.501 3.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.843 10.106 2.794 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.765 9.256 4.071 1.00 0.00 H new ATOM 1133 N GLY A 84 14.177 5.783 -3.986 1.00 0.00 N ATOM 1134 CA GLY A 84 15.078 4.835 -4.613 1.00 0.00 C ATOM 1135 C GLY A 84 14.422 3.488 -4.814 1.00 0.00 C ATOM 1136 O GLY A 84 13.282 3.288 -4.401 1.00 0.00 O ATOM 0 H GLY A 84 13.243 5.421 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.406 5.227 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.969 4.717 -3.996 1.00 0.00 H new ATOM 1140 N THR A 85 15.137 2.567 -5.446 1.00 0.00 N ATOM 1141 CA THR A 85 14.614 1.235 -5.698 1.00 0.00 C ATOM 1142 C THR A 85 14.724 0.368 -4.447 1.00 0.00 C ATOM 1143 O THR A 85 15.817 0.146 -3.930 1.00 0.00 O ATOM 1144 CB THR A 85 15.359 0.556 -6.865 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.805 1.547 -7.805 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.453 -0.440 -7.571 1.00 0.00 C ATOM 0 H THR A 85 16.084 2.721 -5.794 1.00 0.00 H new ATOM 0 HA THR A 85 13.564 1.340 -5.969 1.00 0.00 H new ATOM 0 HB THR A 85 16.220 0.024 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.279 1.109 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.997 -0.909 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.133 -1.205 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.579 0.079 -7.965 1.00 0.00 H new ATOM 1154 N VAL A 86 13.590 -0.107 -3.958 1.00 0.00 N ATOM 1155 CA VAL A 86 13.565 -0.942 -2.765 1.00 0.00 C ATOM 1156 C VAL A 86 13.633 -2.417 -3.143 1.00 0.00 C ATOM 1157 O VAL A 86 12.867 -2.883 -3.996 1.00 0.00 O ATOM 1158 CB VAL A 86 12.293 -0.693 -1.925 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.403 -1.356 -0.556 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.034 0.800 -1.784 1.00 0.00 C ATOM 0 H VAL A 86 12.673 0.071 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 86 14.436 -0.675 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 86 11.447 -1.142 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.494 -1.165 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.533 -2.431 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.260 -0.947 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.134 0.959 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.883 1.272 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.899 1.241 -2.772 1.00 0.00 H new ATOM 1170 N ASP A 87 14.558 -3.139 -2.527 1.00 0.00 N ATOM 1171 CA ASP A 87 14.720 -4.560 -2.799 1.00 0.00 C ATOM 1172 C ASP A 87 14.013 -5.399 -1.743 1.00 0.00 C ATOM 1173 O ASP A 87 14.413 -5.418 -0.582 1.00 0.00 O ATOM 1174 CB ASP A 87 16.202 -4.943 -2.846 1.00 0.00 C ATOM 1175 CG ASP A 87 16.400 -6.425 -3.105 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.435 -6.825 -4.286 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.507 -7.203 -2.131 1.00 0.00 O ATOM 0 H ASP A 87 15.208 -2.764 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 87 14.271 -4.760 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.700 -4.369 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.676 -4.674 -1.902 1.00 0.00 H new ATOM 1182 N CYS A 88 12.964 -6.091 -2.149 1.00 0.00 N ATOM 1183 CA CYS A 88 12.214 -6.938 -1.237 1.00 0.00 C ATOM 1184 C CYS A 88 12.664 -8.388 -1.375 1.00 0.00 C ATOM 1185 O CYS A 88 11.945 -9.313 -1.003 1.00 0.00 O ATOM 1186 CB CYS A 88 10.709 -6.809 -1.485 1.00 0.00 C ATOM 1187 SG CYS A 88 9.932 -5.425 -0.583 1.00 0.00 S ATOM 0 H CYS A 88 12.611 -6.084 -3.106 1.00 0.00 H new ATOM 0 HA CYS A 88 12.413 -6.609 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.536 -6.678 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.221 -7.740 -1.195 1.00 0.00 H new ATOM 1192 N THR A 89 13.852 -8.578 -1.935 1.00 0.00 N ATOM 1193 CA THR A 89 14.416 -9.906 -2.101 1.00 0.00 C ATOM 1194 C THR A 89 15.227 -10.263 -0.866 1.00 0.00 C ATOM 1195 O THR A 89 15.139 -11.378 -0.343 1.00 0.00 O ATOM 1196 CB THR A 89 15.317 -9.988 -3.347 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.955 -8.957 -4.279 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.190 -11.351 -4.014 1.00 0.00 C ATOM 0 H THR A 89 14.444 -7.823 -2.283 1.00 0.00 H new ATOM 0 HA THR A 89 13.595 -10.610 -2.233 1.00 0.00 H new ATOM 0 HB THR A 89 16.352 -9.849 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.740 -8.405 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.835 -11.388 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.489 -12.129 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.155 -11.513 -4.316 1.00 0.00 H new ATOM 1206 N THR A 90 16.006 -9.294 -0.402 1.00 0.00 N ATOM 1207 CA THR A 90 16.828 -9.466 0.779 1.00 0.00 C ATOM 1208 C THR A 90 16.156 -8.798 1.979 1.00 0.00 C ATOM 1209 O THR A 90 16.680 -8.813 3.094 1.00 0.00 O ATOM 1210 CB THR A 90 18.243 -8.878 0.558 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.160 -9.401 1.530 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.235 -7.353 0.631 1.00 0.00 C ATOM 0 H THR A 90 16.083 -8.373 -0.834 1.00 0.00 H new ATOM 0 HA THR A 90 16.934 -10.533 0.976 1.00 0.00 H new ATOM 0 HB THR A 90 18.566 -9.171 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.735 -9.402 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.245 -6.976 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.573 -6.955 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.881 -7.038 1.612 1.00 0.00 H new ATOM 1220 N ALA A 91 14.992 -8.218 1.731 1.00 0.00 N ATOM 1221 CA ALA A 91 14.227 -7.546 2.765 1.00 0.00 C ATOM 1222 C ALA A 91 12.777 -8.005 2.713 1.00 0.00 C ATOM 1223 O ALA A 91 12.433 -8.902 1.940 1.00 0.00 O ATOM 1224 CB ALA A 91 14.319 -6.033 2.594 1.00 0.00 C ATOM 0 H ALA A 91 14.554 -8.201 0.810 1.00 0.00 H new ATOM 0 HA ALA A 91 14.642 -7.804 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.740 -5.543 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.361 -5.722 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.921 -5.752 1.619 1.00 0.00 H new ATOM 1230 N ALA A 92 11.936 -7.397 3.531 1.00 0.00 N ATOM 1231 CA ALA A 92 10.525 -7.740 3.576 1.00 0.00 C ATOM 1232 C ALA A 92 9.678 -6.577 3.069 1.00 0.00 C ATOM 1233 O ALA A 92 9.961 -5.415 3.363 1.00 0.00 O ATOM 1234 CB ALA A 92 10.113 -8.126 4.992 1.00 0.00 C ATOM 0 H ALA A 92 12.209 -6.657 4.178 1.00 0.00 H new ATOM 0 HA ALA A 92 10.357 -8.598 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.053 -8.380 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.696 -8.987 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.295 -7.288 5.665 1.00 0.00 H new ATOM 1240 N CYS A 93 8.647 -6.894 2.304 1.00 0.00 N ATOM 1241 CA CYS A 93 7.768 -5.876 1.761 1.00 0.00 C ATOM 1242 C CYS A 93 6.641 -5.581 2.744 1.00 0.00 C ATOM 1243 O CYS A 93 6.373 -6.376 3.648 1.00 0.00 O ATOM 1244 CB CYS A 93 7.191 -6.340 0.420 1.00 0.00 C ATOM 1245 SG CYS A 93 7.960 -5.578 -1.049 1.00 0.00 S ATOM 0 H CYS A 93 8.399 -7.849 2.046 1.00 0.00 H new ATOM 0 HA CYS A 93 8.342 -4.963 1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.299 -7.422 0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.123 -6.125 0.406 1.00 0.00 H new ATOM 1250 N GLN A 94 5.994 -4.441 2.582 1.00 0.00 N ATOM 1251 CA GLN A 94 4.892 -4.057 3.451 1.00 0.00 C ATOM 1252 C GLN A 94 3.782 -3.430 2.620 1.00 0.00 C ATOM 1253 O GLN A 94 4.012 -2.998 1.493 1.00 0.00 O ATOM 1254 CB GLN A 94 5.368 -3.095 4.545 1.00 0.00 C ATOM 1255 CG GLN A 94 6.191 -3.772 5.634 1.00 0.00 C ATOM 1256 CD GLN A 94 7.285 -2.883 6.193 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.786 -1.992 5.515 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.671 -3.130 7.435 1.00 0.00 N ATOM 0 H GLN A 94 6.213 -3.761 1.854 1.00 0.00 H new ATOM 0 HA GLN A 94 4.503 -4.948 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.964 -2.305 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.500 -2.617 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.529 -4.077 6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.640 -4.680 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.230 -3.880 7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.410 -2.570 7.860 1.00 0.00 H new ATOM 1267 N VAL A 95 2.579 -3.414 3.165 1.00 0.00 N ATOM 1268 CA VAL A 95 1.438 -2.845 2.466 1.00 0.00 C ATOM 1269 C VAL A 95 1.158 -1.428 2.944 1.00 0.00 C ATOM 1270 O VAL A 95 0.965 -1.193 4.140 1.00 0.00 O ATOM 1271 CB VAL A 95 0.170 -3.703 2.659 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.953 -3.216 1.754 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.472 -5.170 2.394 1.00 0.00 C ATOM 0 H VAL A 95 2.366 -3.788 4.090 1.00 0.00 H new ATOM 0 HA VAL A 95 1.693 -2.827 1.406 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.157 -3.600 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.837 -3.835 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.190 -2.179 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.637 -3.285 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.434 -5.759 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.827 -5.289 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.240 -5.514 3.087 1.00 0.00 H new ATOM 1283 N GLY A 96 1.132 -0.490 2.008 1.00 0.00 N ATOM 1284 CA GLY A 96 0.873 0.890 2.345 1.00 0.00 C ATOM 1285 C GLY A 96 -0.478 1.352 1.854 1.00 0.00 C ATOM 1286 O GLY A 96 -0.732 1.379 0.653 1.00 0.00 O ATOM 0 H GLY A 96 1.287 -0.665 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.927 1.015 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.650 1.520 1.912 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.347 1.708 2.785 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.686 2.162 2.448 1.00 0.00 C ATOM 1292 C LEU A 97 -3.029 3.442 3.204 1.00 0.00 C ATOM 1293 O LEU A 97 -2.945 3.489 4.433 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.708 1.065 2.775 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.210 -0.040 3.717 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.231 0.430 5.161 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.050 -1.295 3.560 1.00 0.00 C ATOM 0 H LEU A 97 -1.148 1.691 3.785 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.721 2.376 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.586 1.532 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.032 0.604 1.842 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.180 -0.274 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.874 -0.370 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.585 1.301 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.250 0.697 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.681 -2.067 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.089 -1.069 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.983 -1.651 2.532 1.00 0.00 H new ATOM 1309 N SER A 98 -3.398 4.480 2.473 1.00 0.00 N ATOM 1310 CA SER A 98 -3.760 5.754 3.078 1.00 0.00 C ATOM 1311 C SER A 98 -4.733 6.511 2.182 1.00 0.00 C ATOM 1312 O SER A 98 -4.853 6.210 0.995 1.00 0.00 O ATOM 1313 CB SER A 98 -2.511 6.609 3.312 1.00 0.00 C ATOM 1314 OG SER A 98 -1.593 5.964 4.177 1.00 0.00 O ATOM 0 H SER A 98 -3.455 4.467 1.455 1.00 0.00 H new ATOM 0 HA SER A 98 -4.239 5.551 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.028 6.817 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.801 7.569 3.739 1.00 0.00 H new ATOM 0 HG SER A 98 -1.980 5.121 4.495 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.434 7.475 2.760 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.378 8.293 2.013 1.00 0.00 C ATOM 1322 C ASP A 99 -5.616 9.345 1.209 1.00 0.00 C ATOM 1323 O ASP A 99 -4.396 9.253 1.057 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.382 8.965 2.968 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.838 10.230 3.607 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.891 10.139 4.416 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.352 11.327 3.289 1.00 0.00 O ATOM 0 H ASP A 99 -5.366 7.711 3.750 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.938 7.657 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.293 9.205 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.658 8.259 3.751 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.324 10.339 0.695 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.692 11.394 -0.081 1.00 0.00 C ATOM 1334 C ALA A 100 -4.729 12.198 0.787 1.00 0.00 C ATOM 1335 O ALA A 100 -3.710 12.690 0.303 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.742 12.302 -0.698 1.00 0.00 C ATOM 0 H ALA A 100 -7.334 10.437 0.801 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.120 10.932 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.251 13.086 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.388 11.718 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.341 12.754 0.092 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.052 12.322 2.072 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.210 13.056 3.005 1.00 0.00 C ATOM 1344 C ALA A 101 -3.003 12.218 3.416 1.00 0.00 C ATOM 1345 O ALA A 101 -1.856 12.637 3.244 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.008 13.478 4.232 1.00 0.00 C ATOM 0 H ALA A 101 -5.893 11.922 2.489 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.850 13.954 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.360 14.025 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.835 14.118 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.400 12.593 4.733 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.265 11.027 3.940 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.187 10.151 4.364 1.00 0.00 C ATOM 1354 C GLY A 102 -2.522 9.364 5.616 1.00 0.00 C ATOM 1355 O GLY A 102 -1.627 8.896 6.325 1.00 0.00 O ATOM 0 H GLY A 102 -4.203 10.651 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.951 9.457 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.292 10.746 4.544 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.807 9.207 5.893 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.249 8.468 7.070 1.00 0.00 C ATOM 1361 C ASN A 103 -5.126 7.301 6.646 1.00 0.00 C ATOM 1362 O ASN A 103 -5.535 7.215 5.486 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.028 9.378 8.028 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.228 10.579 8.493 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.478 10.504 9.467 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.389 11.700 7.805 1.00 0.00 N ATOM 0 H ASN A 103 -4.564 9.581 5.320 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.368 8.093 7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.936 9.724 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.339 8.798 8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.882 12.542 8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.020 11.721 7.004 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.403 6.398 7.573 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.241 5.261 7.257 1.00 0.00 C ATOM 1375 C GLY A 104 -5.917 4.049 8.103 1.00 0.00 C ATOM 1376 O GLY A 104 -5.494 4.190 9.252 1.00 0.00 O ATOM 0 H GLY A 104 -5.064 6.431 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.286 5.533 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.121 5.007 6.204 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.101 2.838 7.551 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.825 1.587 8.264 1.00 0.00 C ATOM 1382 C PRO A 105 -4.337 1.381 8.527 1.00 0.00 C ATOM 1383 O PRO A 105 -3.490 2.132 8.030 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.353 0.495 7.316 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.169 1.211 6.291 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.590 2.591 6.189 1.00 0.00 C ATOM 0 HA PRO A 105 -6.295 1.578 9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.532 -0.051 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.956 -0.235 7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.126 0.698 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.218 1.249 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.786 2.639 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.340 3.323 5.889 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.025 0.356 9.306 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.648 0.036 9.648 1.00 0.00 C ATOM 1396 C GLU A 106 -1.963 -0.733 8.525 1.00 0.00 C ATOM 1397 O GLU A 106 -2.602 -1.491 7.796 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.599 -0.789 10.933 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.662 0.047 12.195 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.914 -0.593 13.341 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.756 -1.020 13.139 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.475 -0.676 14.451 1.00 0.00 O ATOM 0 H GLU A 106 -4.715 -0.274 9.716 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.118 0.976 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.430 -1.495 10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.681 -1.377 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.244 1.034 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.704 0.194 12.480 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.658 -0.530 8.398 1.00 0.00 N ATOM 1410 CA GLY A 107 0.107 -1.217 7.379 1.00 0.00 C ATOM 1411 C GLY A 107 0.522 -2.600 7.836 1.00 0.00 C ATOM 1412 O GLY A 107 0.890 -2.788 8.999 1.00 0.00 O ATOM 0 H GLY A 107 -0.115 0.102 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.487 -1.296 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.993 -0.633 7.132 1.00 0.00 H new ATOM 1416 N VAL A 108 0.466 -3.563 6.931 1.00 0.00 N ATOM 1417 CA VAL A 108 0.821 -4.941 7.257 1.00 0.00 C ATOM 1418 C VAL A 108 2.102 -5.352 6.542 1.00 0.00 C ATOM 1419 O VAL A 108 2.337 -4.949 5.403 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.307 -5.924 6.866 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.091 -7.288 7.512 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.669 -5.359 7.243 1.00 0.00 C ATOM 0 H VAL A 108 0.178 -3.419 5.963 1.00 0.00 H new ATOM 0 HA VAL A 108 0.971 -4.985 8.336 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.279 -6.055 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.898 -7.960 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.862 -7.700 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.082 -7.180 8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.448 -6.067 6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.707 -5.190 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.829 -4.415 6.721 1.00 0.00 H new ATOM 1432 N ALA A 109 2.926 -6.144 7.215 1.00 0.00 N ATOM 1433 CA ALA A 109 4.174 -6.619 6.638 1.00 0.00 C ATOM 1434 C ALA A 109 3.962 -7.962 5.952 1.00 0.00 C ATOM 1435 O ALA A 109 3.178 -8.789 6.427 1.00 0.00 O ATOM 1436 CB ALA A 109 5.249 -6.733 7.710 1.00 0.00 C ATOM 0 H ALA A 109 2.750 -6.472 8.165 1.00 0.00 H new ATOM 0 HA ALA A 109 4.507 -5.897 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.175 -7.090 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.418 -5.755 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.924 -7.436 8.477 1.00 0.00 H new ATOM 1442 N ILE A 110 4.650 -8.171 4.838 1.00 0.00 N ATOM 1443 CA ILE A 110 4.534 -9.414 4.087 1.00 0.00 C ATOM 1444 C ILE A 110 5.909 -9.943 3.689 1.00 0.00 C ATOM 1445 O ILE A 110 6.653 -9.299 2.944 1.00 0.00 O ATOM 1446 CB ILE A 110 3.658 -9.244 2.823 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.029 -7.962 2.071 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.184 -9.233 3.203 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.382 -7.853 0.711 1.00 0.00 C ATOM 0 H ILE A 110 5.296 -7.494 4.433 1.00 0.00 H new ATOM 0 HA ILE A 110 4.049 -10.135 4.745 1.00 0.00 H new ATOM 0 HB ILE A 110 3.842 -10.089 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.739 -7.101 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.112 -7.919 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.578 -9.113 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.927 -10.173 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.990 -8.405 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.689 -6.921 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.692 -8.695 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.298 -7.864 0.822 1.00 0.00 H new ATOM 1461 N SER A 111 6.247 -11.112 4.204 1.00 0.00 N ATOM 1462 CA SER A 111 7.526 -11.734 3.910 1.00 0.00 C ATOM 1463 C SER A 111 7.349 -12.845 2.881 1.00 0.00 C ATOM 1464 O SER A 111 6.346 -13.564 2.900 1.00 0.00 O ATOM 1465 CB SER A 111 8.141 -12.292 5.193 1.00 0.00 C ATOM 1466 OG SER A 111 8.194 -11.301 6.207 1.00 0.00 O ATOM 0 H SER A 111 5.650 -11.652 4.831 1.00 0.00 H new ATOM 0 HA SER A 111 8.197 -10.982 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.554 -13.142 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.146 -12.661 4.988 1.00 0.00 H new ATOM 0 HG SER A 111 8.590 -11.683 7.018 1.00 0.00 H new ATOM 1472 N PHE A 112 8.315 -12.977 1.984 1.00 0.00 N ATOM 1473 CA PHE A 112 8.259 -13.999 0.947 1.00 0.00 C ATOM 1474 C PHE A 112 8.896 -15.300 1.423 1.00 0.00 C ATOM 1475 O PHE A 112 9.640 -15.320 2.409 1.00 0.00 O ATOM 1476 CB PHE A 112 8.958 -13.514 -0.323 1.00 0.00 C ATOM 1477 CG PHE A 112 8.336 -12.287 -0.935 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.966 -12.198 -1.120 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.128 -11.226 -1.334 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.401 -11.073 -1.691 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.569 -10.099 -1.905 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.204 -10.023 -2.084 1.00 0.00 C ATOM 0 H PHE A 112 9.148 -12.389 1.953 1.00 0.00 H new ATOM 0 HA PHE A 112 7.209 -14.189 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.002 -13.303 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.950 -14.318 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.332 -13.017 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.198 -11.279 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.331 -11.016 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.201 -9.278 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.765 -9.143 -2.531 1.00 0.00 H new ATOM 1492 N ASN A 113 8.600 -16.385 0.716 1.00 0.00 N ATOM 1493 CA ASN A 113 9.137 -17.695 1.060 1.00 0.00 C ATOM 1494 C ASN A 113 10.479 -17.911 0.375 1.00 0.00 C ATOM 1495 O ASN A 113 11.229 -18.812 0.799 1.00 0.00 O ATOM 1496 CB ASN A 113 8.164 -18.810 0.660 1.00 0.00 C ATOM 1497 CG ASN A 113 8.115 -19.052 -0.841 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.911 -19.818 -1.386 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.169 -18.419 -1.516 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.783 -17.175 -0.583 1.00 0.00 O ATOM 0 H ASN A 113 7.989 -16.382 -0.101 1.00 0.00 H new ATOM 0 HA ASN A 113 9.276 -17.729 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.454 -19.734 1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.165 -18.556 1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.081 -18.558 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.528 -17.792 -1.030 1.00 0.00 H new