USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 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 971 THR OG1 : rot 133:sc= -3.21! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.44! C(o=-11!,f=-11!) USER MOD Single : A 947 MET CE :methyl 176:sc= 0 (180deg=-0.0197) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= 0.161! K(o=0.16!,f=-1.4) USER MOD Single : A 968 LYS NZ :NH3+ -147:sc= -3.62! (180deg=-4.93!) USER MOD Single : A 970 MET CE :methyl 180:sc= -0.049 (180deg=-0.049) USER MOD Single : A 973 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -34:sc= 0.492 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -149:sc= 0.4 USER MOD Single : A 992 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.03) USER MOD Single : A 994 TYR OH : rot 1:sc= 0.625 USER MOD Single : A 995 ASN : amide:sc= 0.875 K(o=0.88,f=-0.56) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -20.341 8.650 8.142 1.00 0.00 N ATOM 2 CA GLY A 945 -21.109 8.553 6.870 1.00 0.00 C ATOM 3 C GLY A 945 -20.967 7.149 6.292 1.00 0.00 C ATOM 4 O GLY A 945 -20.102 6.896 5.457 1.00 0.00 O ATOM 0 HA2 GLY A 945 -22.160 8.778 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -20.743 9.290 6.155 1.00 0.00 H new ATOM 7 N ALA A 946 -21.824 6.240 6.747 1.00 0.00 N ATOM 8 CA ALA A 946 -21.789 4.861 6.271 1.00 0.00 C ATOM 9 C ALA A 946 -20.357 4.340 6.211 1.00 0.00 C ATOM 10 O ALA A 946 -19.428 4.987 6.696 1.00 0.00 O ATOM 11 CB ALA A 946 -22.426 4.770 4.882 1.00 0.00 C ATOM 0 H ALA A 946 -22.547 6.431 7.440 1.00 0.00 H new ATOM 0 HA ALA A 946 -22.353 4.246 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -22.395 3.737 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -23.462 5.105 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -21.875 5.403 4.187 1.00 0.00 H new ATOM 17 N MET A 947 -20.190 3.165 5.613 1.00 0.00 N ATOM 18 CA MET A 947 -18.873 2.551 5.490 1.00 0.00 C ATOM 19 C MET A 947 -18.073 3.221 4.375 1.00 0.00 C ATOM 20 O MET A 947 -17.063 2.689 3.915 1.00 0.00 O ATOM 21 CB MET A 947 -19.030 1.059 5.190 1.00 0.00 C ATOM 22 CG MET A 947 -19.680 0.372 6.391 1.00 0.00 C ATOM 23 SD MET A 947 -20.003 -1.367 5.999 1.00 0.00 S ATOM 24 CE MET A 947 -18.349 -2.012 6.350 1.00 0.00 C ATOM 0 H MET A 947 -20.950 2.619 5.206 1.00 0.00 H new ATOM 0 HA MET A 947 -18.335 2.680 6.429 1.00 0.00 H new ATOM 0 HB2 MET A 947 -19.642 0.917 4.299 1.00 0.00 H new ATOM 0 HB3 MET A 947 -18.057 0.613 4.983 1.00 0.00 H new ATOM 0 HG2 MET A 947 -19.027 0.443 7.261 1.00 0.00 H new ATOM 0 HG3 MET A 947 -20.611 0.875 6.650 1.00 0.00 H new ATOM 0 HE1 MET A 947 -18.350 -3.096 6.237 1.00 0.00 H new ATOM 0 HE2 MET A 947 -17.633 -1.575 5.654 1.00 0.00 H new ATOM 0 HE3 MET A 947 -18.067 -1.754 7.371 1.00 0.00 H new ATOM 34 N ALA A 948 -18.539 4.387 3.940 1.00 0.00 N ATOM 35 CA ALA A 948 -17.867 5.121 2.871 1.00 0.00 C ATOM 36 C ALA A 948 -16.354 5.122 3.077 1.00 0.00 C ATOM 37 O ALA A 948 -15.641 4.304 2.498 1.00 0.00 O ATOM 38 CB ALA A 948 -18.378 6.563 2.832 1.00 0.00 C ATOM 0 H ALA A 948 -19.374 4.843 4.308 1.00 0.00 H new ATOM 0 HA ALA A 948 -18.088 4.626 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -17.874 7.106 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -19.453 6.563 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -18.172 7.048 3.786 1.00 0.00 H new ATOM 44 N ILE A 949 -15.872 6.046 3.909 1.00 0.00 N ATOM 45 CA ILE A 949 -14.437 6.154 4.189 1.00 0.00 C ATOM 46 C ILE A 949 -14.181 6.277 5.688 1.00 0.00 C ATOM 47 O ILE A 949 -15.037 6.747 6.439 1.00 0.00 O ATOM 48 CB ILE A 949 -13.857 7.368 3.458 1.00 0.00 C ATOM 49 CG1 ILE A 949 -14.593 8.640 3.896 1.00 0.00 C ATOM 50 CG2 ILE A 949 -14.016 7.178 1.949 1.00 0.00 C ATOM 51 CD1 ILE A 949 -13.934 9.859 3.254 1.00 0.00 C ATOM 0 H ILE A 949 -16.450 6.728 4.400 1.00 0.00 H new ATOM 0 HA ILE A 949 -13.947 5.248 3.833 1.00 0.00 H new ATOM 0 HB ILE A 949 -12.799 7.464 3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -15.642 8.585 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -14.569 8.731 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -13.603 8.042 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -13.485 6.279 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -15.073 7.078 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -14.458 10.762 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -12.892 9.917 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -13.981 9.769 2.169 1.00 0.00 H new ATOM 63 N ALA A 950 -12.993 5.858 6.113 1.00 0.00 N ATOM 64 CA ALA A 950 -12.626 5.925 7.522 1.00 0.00 C ATOM 65 C ALA A 950 -11.119 5.766 7.686 1.00 0.00 C ATOM 66 O ALA A 950 -10.646 5.279 8.714 1.00 0.00 O ATOM 67 CB ALA A 950 -13.343 4.825 8.305 1.00 0.00 C ATOM 0 H ALA A 950 -12.272 5.470 5.505 1.00 0.00 H new ATOM 0 HA ALA A 950 -12.926 6.898 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.062 4.884 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.421 4.954 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -13.058 3.851 7.908 1.00 0.00 H new ATOM 73 N LEU A 951 -10.367 6.176 6.670 1.00 0.00 N ATOM 74 CA LEU A 951 -8.912 6.065 6.718 1.00 0.00 C ATOM 75 C LEU A 951 -8.309 7.219 7.513 1.00 0.00 C ATOM 76 O LEU A 951 -8.646 8.384 7.301 1.00 0.00 O ATOM 77 CB LEU A 951 -8.340 6.054 5.290 1.00 0.00 C ATOM 78 CG LEU A 951 -8.432 4.642 4.705 1.00 0.00 C ATOM 79 CD1 LEU A 951 -9.884 4.167 4.739 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.926 4.657 3.260 1.00 0.00 C ATOM 0 H LEU A 951 -10.735 6.584 5.811 1.00 0.00 H new ATOM 0 HA LEU A 951 -8.652 5.131 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -8.891 6.754 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.302 6.386 5.302 1.00 0.00 H new ATOM 0 HG LEU A 951 -7.819 3.962 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -9.948 3.162 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.239 4.156 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.502 4.844 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.991 3.653 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.538 5.337 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.889 4.992 3.241 1.00 0.00 H new ATOM 92 N ARG A 952 -7.413 6.874 8.428 1.00 0.00 N ATOM 93 CA ARG A 952 -6.751 7.864 9.263 1.00 0.00 C ATOM 94 C ARG A 952 -5.781 8.697 8.431 1.00 0.00 C ATOM 95 O ARG A 952 -5.554 8.412 7.257 1.00 0.00 O ATOM 96 CB ARG A 952 -5.993 7.158 10.388 1.00 0.00 C ATOM 97 CG ARG A 952 -6.998 6.525 11.353 1.00 0.00 C ATOM 98 CD ARG A 952 -6.251 5.732 12.428 1.00 0.00 C ATOM 99 NE ARG A 952 -7.197 5.116 13.349 1.00 0.00 N ATOM 100 CZ ARG A 952 -6.784 4.531 14.468 1.00 0.00 C ATOM 101 NH1 ARG A 952 -5.507 4.467 14.735 1.00 0.00 N ATOM 102 NH2 ARG A 952 -7.649 4.016 15.296 1.00 0.00 N ATOM 0 H ARG A 952 -7.128 5.912 8.610 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.503 8.527 9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.336 6.393 9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.360 7.869 10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.609 7.299 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.676 5.868 10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -5.635 4.964 11.961 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -5.578 6.392 12.975 1.00 0.00 H new ATOM 0 HE ARG A 952 -8.193 5.134 13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -4.829 4.866 14.085 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -5.187 4.018 15.593 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -8.646 4.061 15.086 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -7.329 3.567 16.154 1.00 0.00 H new ATOM 116 N ASP A 953 -5.216 9.731 9.045 1.00 0.00 N ATOM 117 CA ASP A 953 -4.279 10.598 8.345 1.00 0.00 C ATOM 118 C ASP A 953 -3.099 9.784 7.831 1.00 0.00 C ATOM 119 O ASP A 953 -2.612 10.009 6.723 1.00 0.00 O ATOM 120 CB ASP A 953 -3.772 11.691 9.289 1.00 0.00 C ATOM 121 CG ASP A 953 -2.830 12.631 8.543 1.00 0.00 C ATOM 122 OD1 ASP A 953 -2.516 12.339 7.400 1.00 0.00 O ATOM 123 OD2 ASP A 953 -2.436 13.626 9.126 1.00 0.00 O ATOM 0 H ASP A 953 -5.389 9.987 10.017 1.00 0.00 H new ATOM 0 HA ASP A 953 -4.792 11.060 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -4.614 12.253 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -3.254 11.240 10.135 1.00 0.00 H new ATOM 128 N ASP A 954 -2.646 8.836 8.644 1.00 0.00 N ATOM 129 CA ASP A 954 -1.528 7.983 8.265 1.00 0.00 C ATOM 130 C ASP A 954 -1.960 7.046 7.137 1.00 0.00 C ATOM 131 O ASP A 954 -1.204 6.784 6.202 1.00 0.00 O ATOM 132 CB ASP A 954 -1.071 7.163 9.487 1.00 0.00 C ATOM 133 CG ASP A 954 -0.092 7.965 10.349 1.00 0.00 C ATOM 134 OD1 ASP A 954 0.323 9.030 9.920 1.00 0.00 O ATOM 135 OD2 ASP A 954 0.215 7.505 11.436 1.00 0.00 O ATOM 0 H ASP A 954 -3.035 8.640 9.566 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.698 8.599 7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -1.938 6.878 10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.596 6.240 9.154 1.00 0.00 H new ATOM 140 N GLU A 955 -3.187 6.546 7.249 1.00 0.00 N ATOM 141 CA GLU A 955 -3.738 5.635 6.251 1.00 0.00 C ATOM 142 C GLU A 955 -3.977 6.349 4.926 1.00 0.00 C ATOM 143 O GLU A 955 -3.767 5.779 3.855 1.00 0.00 O ATOM 144 CB GLU A 955 -5.061 5.069 6.758 1.00 0.00 C ATOM 145 CG GLU A 955 -4.806 4.197 7.988 1.00 0.00 C ATOM 146 CD GLU A 955 -4.052 2.936 7.587 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.090 2.591 6.418 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.450 2.328 8.458 1.00 0.00 O ATOM 0 H GLU A 955 -3.819 6.756 8.021 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.019 4.832 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.743 5.881 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.541 4.481 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.230 4.755 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.753 3.930 8.457 1.00 0.00 H new ATOM 155 N TYR A 956 -4.423 7.596 5.007 1.00 0.00 N ATOM 156 CA TYR A 956 -4.697 8.377 3.807 1.00 0.00 C ATOM 157 C TYR A 956 -3.436 8.496 2.962 1.00 0.00 C ATOM 158 O TYR A 956 -3.472 8.343 1.741 1.00 0.00 O ATOM 159 CB TYR A 956 -5.183 9.773 4.201 1.00 0.00 C ATOM 160 CG TYR A 956 -5.434 10.593 2.958 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.694 10.562 2.347 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.412 11.387 2.420 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.932 11.324 1.199 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.653 12.148 1.269 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.913 12.116 0.658 1.00 0.00 C ATOM 166 OH TYR A 956 -6.151 12.865 -0.476 1.00 0.00 O ATOM 0 H TYR A 956 -4.602 8.086 5.884 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.470 7.874 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.097 9.698 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.439 10.264 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.481 9.950 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.441 11.412 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.904 11.301 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -3.867 12.760 0.852 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.340 13.358 -0.719 1.00 0.00 H new ATOM 176 N ASP A 957 -2.321 8.765 3.628 1.00 0.00 N ATOM 177 CA ASP A 957 -1.043 8.899 2.939 1.00 0.00 C ATOM 178 C ASP A 957 -0.656 7.582 2.277 1.00 0.00 C ATOM 179 O ASP A 957 -0.113 7.571 1.176 1.00 0.00 O ATOM 180 CB ASP A 957 0.046 9.319 3.930 1.00 0.00 C ATOM 181 CG ASP A 957 -0.149 10.776 4.336 1.00 0.00 C ATOM 182 OD1 ASP A 957 -0.861 11.476 3.636 1.00 0.00 O ATOM 183 OD2 ASP A 957 0.413 11.170 5.347 1.00 0.00 O ATOM 0 H ASP A 957 -2.274 8.894 4.639 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.143 9.665 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 957 0.012 8.680 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 957 1.030 9.188 3.479 1.00 0.00 H new ATOM 188 N GLU A 958 -0.937 6.474 2.954 1.00 0.00 N ATOM 189 CA GLU A 958 -0.606 5.161 2.409 1.00 0.00 C ATOM 190 C GLU A 958 -1.405 4.892 1.137 1.00 0.00 C ATOM 191 O GLU A 958 -0.862 4.408 0.146 1.00 0.00 O ATOM 192 CB GLU A 958 -0.904 4.073 3.446 1.00 0.00 C ATOM 193 CG GLU A 958 -0.485 2.707 2.893 1.00 0.00 C ATOM 194 CD GLU A 958 -0.724 1.623 3.940 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.402 1.907 4.913 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.226 0.525 3.750 1.00 0.00 O ATOM 0 H GLU A 958 -1.387 6.457 3.869 1.00 0.00 H new ATOM 0 HA GLU A 958 0.456 5.146 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.368 4.282 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.967 4.068 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -1.052 2.482 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.568 2.727 2.612 1.00 0.00 H new ATOM 203 N TRP A 959 -2.697 5.211 1.168 1.00 0.00 N ATOM 204 CA TRP A 959 -3.552 4.994 0.009 1.00 0.00 C ATOM 205 C TRP A 959 -3.070 5.845 -1.171 1.00 0.00 C ATOM 206 O TRP A 959 -2.917 5.355 -2.281 1.00 0.00 O ATOM 207 CB TRP A 959 -5.001 5.328 0.387 1.00 0.00 C ATOM 208 CG TRP A 959 -5.878 5.381 -0.819 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.066 4.379 -1.706 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.710 6.484 -1.256 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.972 4.802 -2.666 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.395 6.097 -2.429 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.930 7.771 -0.747 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.277 6.965 -3.076 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.812 8.650 -1.395 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.486 8.247 -2.559 1.00 0.00 C ATOM 0 H TRP A 959 -3.169 5.617 1.976 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.503 3.950 -0.299 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.380 4.578 1.082 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.032 6.287 0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.590 3.410 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.287 4.230 -3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.418 8.088 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.794 6.648 -3.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.973 9.641 -0.996 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.165 8.926 -3.054 1.00 0.00 H new ATOM 227 N GLN A 960 -2.809 7.119 -0.931 1.00 0.00 N ATOM 228 CA GLN A 960 -2.327 7.979 -2.005 1.00 0.00 C ATOM 229 C GLN A 960 -0.958 7.515 -2.487 1.00 0.00 C ATOM 230 O GLN A 960 -0.656 7.548 -3.680 1.00 0.00 O ATOM 231 CB GLN A 960 -2.244 9.429 -1.520 1.00 0.00 C ATOM 232 CG GLN A 960 -3.654 9.972 -1.283 1.00 0.00 C ATOM 233 CD GLN A 960 -4.388 10.122 -2.612 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.938 10.862 -3.488 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.489 9.456 -2.821 1.00 0.00 N ATOM 0 H GLN A 960 -2.918 7.575 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.029 7.920 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.663 9.482 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.727 10.041 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.206 9.298 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.601 10.936 -0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.860 8.844 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.979 9.547 -3.711 1.00 0.00 H new ATOM 244 N ASP A 961 -0.136 7.089 -1.543 1.00 0.00 N ATOM 245 CA ASP A 961 1.208 6.622 -1.857 1.00 0.00 C ATOM 246 C ASP A 961 1.176 5.348 -2.702 1.00 0.00 C ATOM 247 O ASP A 961 1.992 5.178 -3.609 1.00 0.00 O ATOM 248 CB ASP A 961 1.980 6.364 -0.561 1.00 0.00 C ATOM 249 CG ASP A 961 2.332 7.689 0.112 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.380 8.692 -0.581 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.541 7.685 1.314 1.00 0.00 O ATOM 0 H ASP A 961 -0.374 7.056 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 961 1.708 7.398 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.380 5.753 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.890 5.803 -0.776 1.00 0.00 H new ATOM 256 N ILE A 962 0.238 4.447 -2.404 1.00 0.00 N ATOM 257 CA ILE A 962 0.157 3.203 -3.163 1.00 0.00 C ATOM 258 C ILE A 962 -0.296 3.519 -4.584 1.00 0.00 C ATOM 259 O ILE A 962 0.179 2.920 -5.548 1.00 0.00 O ATOM 260 CB ILE A 962 -0.780 2.178 -2.463 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.285 0.745 -2.721 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.215 2.289 -2.989 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.103 -0.242 -1.886 1.00 0.00 C ATOM 0 H ILE A 962 -0.456 4.551 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 962 1.141 2.736 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.767 2.400 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.377 0.504 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.772 0.664 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.846 1.560 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.595 3.293 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.226 2.093 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.749 -1.256 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -0.989 -0.006 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.155 -0.168 -2.163 1.00 0.00 H new ATOM 275 N ILE A 963 -1.206 4.486 -4.703 1.00 0.00 N ATOM 276 CA ILE A 963 -1.696 4.893 -6.014 1.00 0.00 C ATOM 277 C ILE A 963 -0.537 5.424 -6.838 1.00 0.00 C ATOM 278 O ILE A 963 -0.392 5.090 -8.014 1.00 0.00 O ATOM 279 CB ILE A 963 -2.771 5.965 -5.859 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.006 5.317 -5.242 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.127 6.554 -7.228 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.036 6.384 -4.858 1.00 0.00 C ATOM 0 H ILE A 963 -1.612 4.994 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.135 4.035 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.406 6.769 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.447 4.615 -5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.721 4.744 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.895 7.318 -7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.238 7.000 -7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.501 5.763 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.911 5.904 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.597 7.070 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.334 6.939 -5.748 1.00 0.00 H new ATOM 294 N ARG A 964 0.301 6.230 -6.206 1.00 0.00 N ATOM 295 CA ARG A 964 1.466 6.772 -6.884 1.00 0.00 C ATOM 296 C ARG A 964 2.329 5.618 -7.384 1.00 0.00 C ATOM 297 O ARG A 964 2.843 5.646 -8.503 1.00 0.00 O ATOM 298 CB ARG A 964 2.270 7.642 -5.917 1.00 0.00 C ATOM 299 CG ARG A 964 3.459 8.275 -6.645 1.00 0.00 C ATOM 300 CD ARG A 964 4.248 9.137 -5.658 1.00 0.00 C ATOM 301 NE ARG A 964 4.800 8.299 -4.601 1.00 0.00 N ATOM 302 CZ ARG A 964 5.450 8.823 -3.568 1.00 0.00 C ATOM 303 NH1 ARG A 964 5.631 10.113 -3.492 1.00 0.00 N ATOM 304 NH2 ARG A 964 5.912 8.043 -2.629 1.00 0.00 N ATOM 0 H ARG A 964 0.198 6.521 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 964 1.149 7.385 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.632 8.421 -5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.624 7.039 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.100 7.499 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.109 8.883 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 964 5.052 9.658 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 964 3.599 9.900 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 964 4.685 7.287 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.273 10.722 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 964 6.131 10.512 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 964 5.773 7.034 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 964 6.412 8.442 -1.834 1.00 0.00 H new ATOM 318 N ASP A 965 2.477 4.601 -6.538 1.00 0.00 N ATOM 319 CA ASP A 965 3.276 3.430 -6.883 1.00 0.00 C ATOM 320 C ASP A 965 2.690 2.677 -8.081 1.00 0.00 C ATOM 321 O ASP A 965 3.432 2.218 -8.948 1.00 0.00 O ATOM 322 CB ASP A 965 3.358 2.493 -5.677 1.00 0.00 C ATOM 323 CG ASP A 965 4.425 1.429 -5.909 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.465 1.768 -6.449 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.186 0.291 -5.544 1.00 0.00 O ATOM 0 H ASP A 965 2.054 4.565 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 965 4.273 3.773 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.593 3.064 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.391 2.018 -5.509 1.00 0.00 H new ATOM 330 N TRP A 966 1.363 2.543 -8.136 1.00 0.00 N ATOM 331 CA TRP A 966 0.740 1.828 -9.254 1.00 0.00 C ATOM 332 C TRP A 966 0.764 2.680 -10.524 1.00 0.00 C ATOM 333 O TRP A 966 0.350 2.229 -11.591 1.00 0.00 O ATOM 334 CB TRP A 966 -0.718 1.458 -8.943 1.00 0.00 C ATOM 335 CG TRP A 966 -0.825 0.550 -7.759 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.531 0.836 -6.643 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.262 -0.785 -7.554 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.441 -0.221 -5.768 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.662 -1.243 -6.274 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.550 -1.632 -8.334 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.274 -2.492 -5.789 1.00 0.00 C ATOM 342 CZ3 TRP A 966 0.941 -2.890 -7.846 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.532 -3.317 -6.576 1.00 0.00 C ATOM 0 H TRP A 966 0.713 2.909 -7.440 1.00 0.00 H new ATOM 0 HA TRP A 966 1.317 0.916 -9.407 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.291 2.366 -8.756 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -1.163 0.974 -9.813 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.079 1.750 -6.466 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.895 -0.247 -4.855 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.874 -1.312 -9.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.595 -2.819 -4.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.561 -3.532 -8.454 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.840 -4.284 -6.206 1.00 0.00 H new ATOM 354 N ARG A 967 1.262 3.907 -10.407 1.00 0.00 N ATOM 355 CA ARG A 967 1.348 4.807 -11.558 1.00 0.00 C ATOM 356 C ARG A 967 -0.004 4.962 -12.259 1.00 0.00 C ATOM 357 O ARG A 967 -0.061 5.101 -13.481 1.00 0.00 O ATOM 358 CB ARG A 967 2.368 4.269 -12.561 1.00 0.00 C ATOM 359 CG ARG A 967 3.748 4.193 -11.904 1.00 0.00 C ATOM 360 CD ARG A 967 4.750 3.580 -12.886 1.00 0.00 C ATOM 361 NE ARG A 967 4.928 4.464 -14.032 1.00 0.00 N ATOM 362 CZ ARG A 967 5.735 5.516 -13.972 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.395 5.771 -12.874 1.00 0.00 N ATOM 364 NH2 ARG A 967 5.869 6.296 -15.008 1.00 0.00 N ATOM 0 H ARG A 967 1.611 4.302 -9.534 1.00 0.00 H new ATOM 0 HA ARG A 967 1.658 5.784 -11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.065 3.281 -12.908 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.407 4.916 -13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.076 5.189 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.698 3.591 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 967 5.706 3.418 -12.389 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.395 2.605 -13.220 1.00 0.00 H new ATOM 0 HE ARG A 967 4.423 4.270 -14.896 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.290 5.162 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.015 6.579 -12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.353 6.098 -15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 967 6.489 7.104 -14.961 1.00 0.00 H new ATOM 378 N LYS A 968 -1.089 4.942 -11.487 1.00 0.00 N ATOM 379 CA LYS A 968 -2.431 5.089 -12.061 1.00 0.00 C ATOM 380 C LYS A 968 -3.390 5.679 -11.027 1.00 0.00 C ATOM 381 O LYS A 968 -2.989 6.492 -10.196 1.00 0.00 O ATOM 382 CB LYS A 968 -2.946 3.732 -12.547 1.00 0.00 C ATOM 383 CG LYS A 968 -3.016 2.768 -11.366 1.00 0.00 C ATOM 384 CD LYS A 968 -3.368 1.357 -11.858 1.00 0.00 C ATOM 385 CE LYS A 968 -4.776 1.334 -12.466 1.00 0.00 C ATOM 386 NZ LYS A 968 -5.704 2.161 -11.642 1.00 0.00 N ATOM 0 H LYS A 968 -1.070 4.827 -10.474 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.376 5.770 -12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.932 3.844 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.286 3.334 -13.318 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.060 2.751 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.765 3.110 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -2.640 1.033 -12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -3.312 0.652 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -4.746 1.715 -13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -5.141 0.308 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -6.657 1.745 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -5.365 2.188 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -5.738 3.128 -12.023 1.00 0.00 H new ATOM 400 N GLU A 969 -4.660 5.272 -11.087 1.00 0.00 N ATOM 401 CA GLU A 969 -5.667 5.775 -10.153 1.00 0.00 C ATOM 402 C GLU A 969 -6.629 4.665 -9.738 1.00 0.00 C ATOM 403 O GLU A 969 -7.082 3.878 -10.570 1.00 0.00 O ATOM 404 CB GLU A 969 -6.453 6.914 -10.816 1.00 0.00 C ATOM 405 CG GLU A 969 -7.371 7.593 -9.791 1.00 0.00 C ATOM 406 CD GLU A 969 -8.595 6.726 -9.511 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.955 5.944 -10.376 1.00 0.00 O ATOM 408 OE2 GLU A 969 -9.157 6.859 -8.438 1.00 0.00 O ATOM 0 H GLU A 969 -5.013 4.600 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.160 6.142 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.762 7.645 -11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -7.046 6.523 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -6.824 7.769 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.686 8.567 -10.166 1.00 0.00 H new ATOM 415 N MET A 970 -6.948 4.623 -8.447 1.00 0.00 N ATOM 416 CA MET A 970 -7.874 3.627 -7.911 1.00 0.00 C ATOM 417 C MET A 970 -8.687 4.239 -6.772 1.00 0.00 C ATOM 418 O MET A 970 -8.610 5.445 -6.533 1.00 0.00 O ATOM 419 CB MET A 970 -7.101 2.375 -7.433 1.00 0.00 C ATOM 420 CG MET A 970 -6.315 2.645 -6.119 1.00 0.00 C ATOM 421 SD MET A 970 -6.863 1.500 -4.815 1.00 0.00 S ATOM 422 CE MET A 970 -5.401 0.429 -4.787 1.00 0.00 C ATOM 0 H MET A 970 -6.578 5.269 -7.750 1.00 0.00 H new ATOM 0 HA MET A 970 -8.561 3.315 -8.698 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.801 1.555 -7.275 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.408 2.057 -8.212 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.246 2.524 -6.294 1.00 0.00 H new ATOM 0 HG3 MET A 970 -6.471 3.675 -5.798 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.537 -0.353 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.264 -0.026 -5.768 1.00 0.00 H new ATOM 0 HE3 MET A 970 -4.521 1.021 -4.536 1.00 0.00 H new ATOM 432 N THR A 971 -9.459 3.413 -6.069 1.00 0.00 N ATOM 433 CA THR A 971 -10.281 3.893 -4.952 1.00 0.00 C ATOM 434 C THR A 971 -9.859 3.237 -3.646 1.00 0.00 C ATOM 435 O THR A 971 -9.178 2.213 -3.642 1.00 0.00 O ATOM 436 CB THR A 971 -11.754 3.581 -5.218 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.922 2.178 -5.357 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.201 4.285 -6.497 1.00 0.00 C ATOM 0 H THR A 971 -9.535 2.412 -6.249 1.00 0.00 H new ATOM 0 HA THR A 971 -10.140 4.970 -4.866 1.00 0.00 H new ATOM 0 HB THR A 971 -12.359 3.935 -4.383 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.686 1.885 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.251 4.063 -6.687 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.073 5.361 -6.384 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.599 3.934 -7.335 1.00 0.00 H new ATOM 446 N VAL A 972 -10.284 3.828 -2.538 1.00 0.00 N ATOM 447 CA VAL A 972 -9.962 3.292 -1.227 1.00 0.00 C ATOM 448 C VAL A 972 -10.509 1.878 -1.105 1.00 0.00 C ATOM 449 O VAL A 972 -9.841 0.988 -0.588 1.00 0.00 O ATOM 450 CB VAL A 972 -10.586 4.180 -0.136 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.632 3.417 1.203 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.743 5.451 0.025 1.00 0.00 C ATOM 0 H VAL A 972 -10.851 4.676 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.879 3.274 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.602 4.447 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.075 4.053 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.234 2.515 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.620 3.142 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.182 6.083 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.727 5.180 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.720 5.995 -0.919 1.00 0.00 H new ATOM 462 N GLN A 973 -11.737 1.688 -1.561 1.00 0.00 N ATOM 463 CA GLN A 973 -12.371 0.388 -1.475 1.00 0.00 C ATOM 464 C GLN A 973 -11.481 -0.682 -2.106 1.00 0.00 C ATOM 465 O GLN A 973 -11.315 -1.764 -1.551 1.00 0.00 O ATOM 466 CB GLN A 973 -13.726 0.434 -2.195 1.00 0.00 C ATOM 467 CG GLN A 973 -14.802 0.994 -1.255 1.00 0.00 C ATOM 468 CD GLN A 973 -14.465 2.433 -0.885 1.00 0.00 C ATOM 469 OE1 GLN A 973 -14.567 3.331 -1.720 1.00 0.00 O ATOM 470 NE2 GLN A 973 -14.053 2.708 0.323 1.00 0.00 N ATOM 0 H GLN A 973 -12.309 2.414 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.524 0.135 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.652 1.056 -3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -14.005 -0.566 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.778 0.952 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.866 0.383 -0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -13.969 1.963 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -13.816 3.667 0.575 1.00 0.00 H new ATOM 479 N GLN A 974 -10.916 -0.373 -3.264 1.00 0.00 N ATOM 480 CA GLN A 974 -10.048 -1.323 -3.951 1.00 0.00 C ATOM 481 C GLN A 974 -8.852 -1.675 -3.062 1.00 0.00 C ATOM 482 O GLN A 974 -8.526 -2.849 -2.882 1.00 0.00 O ATOM 483 CB GLN A 974 -9.563 -0.708 -5.273 1.00 0.00 C ATOM 484 CG GLN A 974 -10.591 -0.944 -6.390 1.00 0.00 C ATOM 485 CD GLN A 974 -12.002 -0.581 -5.931 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.487 -1.084 -4.919 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.700 0.271 -6.634 1.00 0.00 N ATOM 0 H GLN A 974 -11.040 0.518 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.605 -2.235 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.398 0.362 -5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.606 -1.146 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.326 -0.348 -7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.564 -1.989 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -12.299 0.689 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.646 0.518 -6.343 1.00 0.00 H new ATOM 496 N PHE A 975 -8.212 -0.653 -2.500 1.00 0.00 N ATOM 497 CA PHE A 975 -7.067 -0.869 -1.617 1.00 0.00 C ATOM 498 C PHE A 975 -7.499 -1.643 -0.373 1.00 0.00 C ATOM 499 O PHE A 975 -6.823 -2.573 0.062 1.00 0.00 O ATOM 500 CB PHE A 975 -6.444 0.479 -1.224 1.00 0.00 C ATOM 501 CG PHE A 975 -5.413 0.272 -0.133 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.298 -0.543 -0.368 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.575 0.895 1.114 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.348 -0.738 0.644 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.624 0.702 2.122 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.510 -0.115 1.888 1.00 0.00 C ATOM 0 H PHE A 975 -8.463 0.326 -2.638 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.317 -1.458 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.978 0.941 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.220 1.161 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.171 -1.021 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.434 1.524 1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.490 -1.369 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.749 1.183 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.777 -0.264 2.667 1.00 0.00 H new ATOM 516 N LEU A 976 -8.631 -1.244 0.192 1.00 0.00 N ATOM 517 CA LEU A 976 -9.164 -1.882 1.381 1.00 0.00 C ATOM 518 C LEU A 976 -9.455 -3.354 1.096 1.00 0.00 C ATOM 519 O LEU A 976 -9.190 -4.235 1.914 1.00 0.00 O ATOM 520 CB LEU A 976 -10.441 -1.138 1.791 1.00 0.00 C ATOM 521 CG LEU A 976 -11.092 -1.801 3.005 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.076 -1.911 4.149 1.00 0.00 C ATOM 523 CD2 LEU A 976 -12.281 -0.945 3.455 1.00 0.00 C ATOM 0 H LEU A 976 -9.200 -0.474 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.441 -1.839 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.203 -0.100 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.143 -1.126 0.958 1.00 0.00 H new ATOM 0 HG LEU A 976 -11.432 -2.802 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.548 -2.384 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -9.226 -2.512 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.731 -0.915 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -12.755 -1.407 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -11.931 0.052 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -13.004 -0.871 2.643 1.00 0.00 H new ATOM 535 N ASP A 977 -9.984 -3.614 -0.078 1.00 0.00 N ATOM 536 CA ASP A 977 -10.277 -4.980 -0.486 1.00 0.00 C ATOM 537 C ASP A 977 -8.967 -5.748 -0.668 1.00 0.00 C ATOM 538 O ASP A 977 -8.834 -6.905 -0.243 1.00 0.00 O ATOM 539 CB ASP A 977 -11.050 -4.963 -1.806 1.00 0.00 C ATOM 540 CG ASP A 977 -11.564 -6.358 -2.142 1.00 0.00 C ATOM 541 OD1 ASP A 977 -11.761 -7.136 -1.224 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.751 -6.629 -3.317 1.00 0.00 O ATOM 0 H ASP A 977 -10.222 -2.903 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.880 -5.468 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.887 -4.268 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -10.404 -4.604 -2.608 1.00 0.00 H new ATOM 547 N LEU A 978 -8.001 -5.085 -1.308 1.00 0.00 N ATOM 548 CA LEU A 978 -6.697 -5.688 -1.566 1.00 0.00 C ATOM 549 C LEU A 978 -5.955 -6.005 -0.273 1.00 0.00 C ATOM 550 O LEU A 978 -5.444 -7.112 -0.106 1.00 0.00 O ATOM 551 CB LEU A 978 -5.860 -4.735 -2.430 1.00 0.00 C ATOM 552 CG LEU A 978 -4.424 -5.254 -2.585 1.00 0.00 C ATOM 553 CD1 LEU A 978 -4.430 -6.677 -3.152 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.669 -4.330 -3.546 1.00 0.00 C ATOM 0 H LEU A 978 -8.100 -4.131 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.855 -6.629 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -6.321 -4.629 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.846 -3.744 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.938 -5.267 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -3.405 -7.031 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.975 -7.336 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.915 -6.678 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.646 -4.687 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -4.168 -4.327 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.655 -3.318 -3.142 1.00 0.00 H new ATOM 566 N LYS A 979 -5.898 -5.043 0.643 1.00 0.00 N ATOM 567 CA LYS A 979 -5.210 -5.275 1.899 1.00 0.00 C ATOM 568 C LYS A 979 -5.957 -6.337 2.686 1.00 0.00 C ATOM 569 O LYS A 979 -5.354 -7.165 3.346 1.00 0.00 O ATOM 570 CB LYS A 979 -5.075 -3.966 2.692 1.00 0.00 C ATOM 571 CG LYS A 979 -6.390 -3.613 3.379 1.00 0.00 C ATOM 572 CD LYS A 979 -6.323 -2.195 3.960 1.00 0.00 C ATOM 573 CE LYS A 979 -5.451 -2.178 5.217 1.00 0.00 C ATOM 574 NZ LYS A 979 -5.563 -0.848 5.879 1.00 0.00 N ATOM 0 H LYS A 979 -6.311 -4.116 0.540 1.00 0.00 H new ATOM 0 HA LYS A 979 -4.199 -5.634 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.285 -4.066 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.781 -3.158 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.211 -3.683 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.597 -4.330 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.916 -1.509 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.327 -1.845 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -5.766 -2.965 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -4.412 -2.380 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -4.971 -0.835 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -5.243 -0.106 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -6.554 -0.673 6.142 1.00 0.00 H new ATOM 588 N GLU A 980 -7.273 -6.342 2.590 1.00 0.00 N ATOM 589 CA GLU A 980 -8.034 -7.351 3.301 1.00 0.00 C ATOM 590 C GLU A 980 -7.525 -8.735 2.904 1.00 0.00 C ATOM 591 O GLU A 980 -7.131 -9.532 3.761 1.00 0.00 O ATOM 592 CB GLU A 980 -9.524 -7.223 2.968 1.00 0.00 C ATOM 593 CG GLU A 980 -10.320 -8.240 3.790 1.00 0.00 C ATOM 594 CD GLU A 980 -11.812 -8.077 3.511 1.00 0.00 C ATOM 595 OE1 GLU A 980 -12.145 -7.375 2.571 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.597 -8.659 4.240 1.00 0.00 O ATOM 0 H GLU A 980 -7.824 -5.680 2.044 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.907 -7.210 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.871 -6.213 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.686 -7.393 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -10.002 -9.252 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -10.122 -8.098 4.852 1.00 0.00 H new ATOM 603 N ARG A 981 -7.508 -9.010 1.600 1.00 0.00 N ATOM 604 CA ARG A 981 -7.021 -10.304 1.126 1.00 0.00 C ATOM 605 C ARG A 981 -5.530 -10.485 1.421 1.00 0.00 C ATOM 606 O ARG A 981 -5.105 -11.554 1.858 1.00 0.00 O ATOM 607 CB ARG A 981 -7.264 -10.454 -0.382 1.00 0.00 C ATOM 608 CG ARG A 981 -8.758 -10.655 -0.657 1.00 0.00 C ATOM 609 CD ARG A 981 -8.948 -11.069 -2.118 1.00 0.00 C ATOM 610 NE ARG A 981 -8.547 -9.989 -3.017 1.00 0.00 N ATOM 611 CZ ARG A 981 -9.407 -9.044 -3.391 1.00 0.00 C ATOM 612 NH1 ARG A 981 -10.633 -9.058 -2.940 1.00 0.00 N ATOM 613 NH2 ARG A 981 -9.025 -8.100 -4.210 1.00 0.00 N ATOM 0 H ARG A 981 -7.818 -8.371 0.868 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.576 -11.074 1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.906 -9.568 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.698 -11.302 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -9.163 -11.420 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -9.305 -9.734 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.358 -11.961 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.992 -11.328 -2.295 1.00 0.00 H new ATOM 0 HE ARG A 981 -7.589 -9.959 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -10.933 -9.794 -2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -11.291 -8.333 -3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -8.068 -8.087 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -9.684 -7.376 -4.497 1.00 0.00 H new ATOM 627 N ALA A 982 -4.733 -9.450 1.179 1.00 0.00 N ATOM 628 CA ALA A 982 -3.293 -9.541 1.420 1.00 0.00 C ATOM 629 C ALA A 982 -3.017 -9.883 2.879 1.00 0.00 C ATOM 630 O ALA A 982 -2.237 -10.786 3.181 1.00 0.00 O ATOM 631 CB ALA A 982 -2.618 -8.209 1.059 1.00 0.00 C ATOM 0 H ALA A 982 -5.051 -8.549 0.821 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.884 -10.333 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.546 -8.283 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.793 -7.986 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.036 -7.411 1.673 1.00 0.00 H new ATOM 637 N LEU A 983 -3.657 -9.148 3.773 1.00 0.00 N ATOM 638 CA LEU A 983 -3.477 -9.371 5.192 1.00 0.00 C ATOM 639 C LEU A 983 -4.074 -10.719 5.598 1.00 0.00 C ATOM 640 O LEU A 983 -3.697 -11.290 6.621 1.00 0.00 O ATOM 641 CB LEU A 983 -4.127 -8.232 5.997 1.00 0.00 C ATOM 642 CG LEU A 983 -3.170 -7.029 6.122 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.532 -6.681 4.770 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.951 -5.818 6.652 1.00 0.00 C ATOM 0 H LEU A 983 -4.303 -8.394 3.539 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.409 -9.385 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -5.050 -7.918 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.397 -8.591 6.990 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.370 -7.293 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.863 -5.829 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.966 -7.537 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.313 -6.429 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.280 -4.964 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.757 -5.574 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.371 -6.055 7.630 1.00 0.00 H new ATOM 656 N SER A 984 -5.012 -11.223 4.795 1.00 0.00 N ATOM 657 CA SER A 984 -5.649 -12.503 5.097 1.00 0.00 C ATOM 658 C SER A 984 -4.729 -13.660 4.711 1.00 0.00 C ATOM 659 O SER A 984 -5.038 -14.822 4.964 1.00 0.00 O ATOM 660 CB SER A 984 -6.973 -12.634 4.343 1.00 0.00 C ATOM 661 OG SER A 984 -6.707 -12.857 2.965 1.00 0.00 O ATOM 0 H SER A 984 -5.343 -10.771 3.943 1.00 0.00 H new ATOM 0 HA SER A 984 -5.843 -12.540 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.557 -13.459 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.568 -11.729 4.469 1.00 0.00 H new ATOM 0 HG SER A 984 -5.895 -12.373 2.706 1.00 0.00 H new ATOM 667 N GLY A 985 -3.582 -13.327 4.115 1.00 0.00 N ATOM 668 CA GLY A 985 -2.605 -14.344 3.717 1.00 0.00 C ATOM 669 C GLY A 985 -2.771 -14.773 2.262 1.00 0.00 C ATOM 670 O GLY A 985 -2.429 -15.899 1.902 1.00 0.00 O ATOM 0 H GLY A 985 -3.308 -12.369 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.598 -13.954 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.708 -15.215 4.364 1.00 0.00 H new ATOM 674 N ALA A 986 -3.279 -13.878 1.423 1.00 0.00 N ATOM 675 CA ALA A 986 -3.459 -14.194 0.008 1.00 0.00 C ATOM 676 C ALA A 986 -2.108 -14.300 -0.678 1.00 0.00 C ATOM 677 O ALA A 986 -1.132 -13.689 -0.239 1.00 0.00 O ATOM 678 CB ALA A 986 -4.287 -13.121 -0.687 1.00 0.00 C ATOM 0 H ALA A 986 -3.571 -12.938 1.692 1.00 0.00 H new ATOM 0 HA ALA A 986 -3.984 -15.147 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.407 -13.379 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.267 -13.056 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.780 -12.160 -0.605 1.00 0.00 H new ATOM 684 N SER A 987 -2.054 -15.080 -1.754 1.00 0.00 N ATOM 685 CA SER A 987 -0.807 -15.264 -2.497 1.00 0.00 C ATOM 686 C SER A 987 -0.841 -14.531 -3.830 1.00 0.00 C ATOM 687 O SER A 987 0.127 -14.578 -4.591 1.00 0.00 O ATOM 688 CB SER A 987 -0.561 -16.754 -2.740 1.00 0.00 C ATOM 689 OG SER A 987 -1.626 -17.283 -3.518 1.00 0.00 O ATOM 0 H SER A 987 -2.852 -15.592 -2.130 1.00 0.00 H new ATOM 0 HA SER A 987 0.003 -14.848 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 987 0.388 -16.899 -3.255 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.491 -17.283 -1.790 1.00 0.00 H new ATOM 0 HG SER A 987 -1.472 -18.238 -3.678 1.00 0.00 H new ATOM 695 N ASP A 988 -1.941 -13.837 -4.118 1.00 0.00 N ATOM 696 CA ASP A 988 -2.037 -13.096 -5.371 1.00 0.00 C ATOM 697 C ASP A 988 -0.782 -12.239 -5.532 1.00 0.00 C ATOM 698 O ASP A 988 -0.206 -11.812 -4.536 1.00 0.00 O ATOM 699 CB ASP A 988 -3.287 -12.211 -5.375 1.00 0.00 C ATOM 700 CG ASP A 988 -3.361 -11.394 -4.090 1.00 0.00 C ATOM 701 OD1 ASP A 988 -2.791 -10.317 -4.065 1.00 0.00 O ATOM 702 OD2 ASP A 988 -3.988 -11.854 -3.154 1.00 0.00 O ATOM 0 H ASP A 988 -2.761 -13.773 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.116 -13.795 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.266 -11.544 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -4.179 -12.830 -5.472 1.00 0.00 H new ATOM 707 N PRO A 989 -0.333 -11.990 -6.737 1.00 0.00 N ATOM 708 CA PRO A 989 0.906 -11.182 -6.962 1.00 0.00 C ATOM 709 C PRO A 989 0.798 -9.793 -6.342 1.00 0.00 C ATOM 710 O PRO A 989 1.784 -9.234 -5.873 1.00 0.00 O ATOM 711 CB PRO A 989 1.029 -11.117 -8.500 1.00 0.00 C ATOM 712 CG PRO A 989 -0.338 -11.440 -9.016 1.00 0.00 C ATOM 713 CD PRO A 989 -0.932 -12.423 -8.013 1.00 0.00 C ATOM 0 HA PRO A 989 1.784 -11.625 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.350 -10.128 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.767 -11.830 -8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -0.950 -10.541 -9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.287 -11.879 -10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.020 -12.368 -7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.671 -13.454 -8.253 1.00 0.00 H new ATOM 721 N ASP A 990 -0.404 -9.246 -6.336 1.00 0.00 N ATOM 722 CA ASP A 990 -0.620 -7.929 -5.757 1.00 0.00 C ATOM 723 C ASP A 990 -0.405 -7.959 -4.243 1.00 0.00 C ATOM 724 O ASP A 990 0.080 -6.991 -3.660 1.00 0.00 O ATOM 725 CB ASP A 990 -2.036 -7.453 -6.068 1.00 0.00 C ATOM 726 CG ASP A 990 -2.159 -7.112 -7.549 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.132 -6.970 -8.192 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.281 -7.001 -8.020 1.00 0.00 O ATOM 0 H ASP A 990 -1.239 -9.687 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 990 0.100 -7.238 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.755 -8.228 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.275 -6.578 -5.464 1.00 0.00 H new ATOM 733 N SER A 991 -0.792 -9.068 -3.608 1.00 0.00 N ATOM 734 CA SER A 991 -0.655 -9.200 -2.156 1.00 0.00 C ATOM 735 C SER A 991 0.810 -9.277 -1.729 1.00 0.00 C ATOM 736 O SER A 991 1.247 -8.522 -0.858 1.00 0.00 O ATOM 737 CB SER A 991 -1.393 -10.453 -1.675 1.00 0.00 C ATOM 738 OG SER A 991 -0.907 -10.820 -0.392 1.00 0.00 O ATOM 0 H SER A 991 -1.199 -9.880 -4.071 1.00 0.00 H new ATOM 0 HA SER A 991 -1.093 -8.311 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.465 -10.263 -1.630 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.244 -11.270 -2.381 1.00 0.00 H new ATOM 0 HG SER A 991 -0.963 -11.793 -0.287 1.00 0.00 H new ATOM 744 N GLN A 992 1.566 -10.190 -2.334 1.00 0.00 N ATOM 745 CA GLN A 992 2.974 -10.340 -1.985 1.00 0.00 C ATOM 746 C GLN A 992 3.751 -9.087 -2.380 1.00 0.00 C ATOM 747 O GLN A 992 4.599 -8.609 -1.629 1.00 0.00 O ATOM 748 CB GLN A 992 3.570 -11.584 -2.664 1.00 0.00 C ATOM 749 CG GLN A 992 2.992 -11.742 -4.071 1.00 0.00 C ATOM 750 CD GLN A 992 3.886 -12.645 -4.915 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.130 -13.795 -4.553 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.392 -12.185 -6.026 1.00 0.00 N ATOM 0 H GLN A 992 1.233 -10.828 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 992 3.053 -10.472 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.655 -11.495 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.351 -12.472 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.989 -12.164 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.900 -10.765 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 992 4.187 -11.231 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.992 -12.779 -6.598 1.00 0.00 H new ATOM 761 N ARG A 993 3.437 -8.541 -3.553 1.00 0.00 N ATOM 762 CA ARG A 993 4.101 -7.326 -4.012 1.00 0.00 C ATOM 763 C ARG A 993 3.767 -6.169 -3.082 1.00 0.00 C ATOM 764 O ARG A 993 4.626 -5.353 -2.753 1.00 0.00 O ATOM 765 CB ARG A 993 3.662 -6.989 -5.439 1.00 0.00 C ATOM 766 CG ARG A 993 4.309 -7.973 -6.416 1.00 0.00 C ATOM 767 CD ARG A 993 3.765 -7.727 -7.823 1.00 0.00 C ATOM 768 NE ARG A 993 4.154 -6.400 -8.292 1.00 0.00 N ATOM 769 CZ ARG A 993 3.698 -5.916 -9.442 1.00 0.00 C ATOM 770 NH1 ARG A 993 2.872 -6.624 -10.164 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.071 -4.733 -9.845 1.00 0.00 N ATOM 0 H ARG A 993 2.737 -8.915 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 993 5.178 -7.491 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.576 -7.041 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.951 -5.968 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 993 5.392 -7.852 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 993 4.101 -8.998 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 993 4.145 -8.487 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 993 2.679 -7.815 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 993 4.787 -5.835 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 993 2.578 -7.547 -9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 993 2.521 -6.254 -11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.713 -4.180 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 993 3.721 -4.361 -10.728 1.00 0.00 H new ATOM 785 N TYR A 994 2.511 -6.111 -2.650 1.00 0.00 N ATOM 786 CA TYR A 994 2.072 -5.059 -1.745 1.00 0.00 C ATOM 787 C TYR A 994 2.856 -5.132 -0.438 1.00 0.00 C ATOM 788 O TYR A 994 3.329 -4.113 0.076 1.00 0.00 O ATOM 789 CB TYR A 994 0.563 -5.199 -1.481 1.00 0.00 C ATOM 790 CG TYR A 994 0.121 -4.355 -0.293 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.692 -3.095 -0.040 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.876 -4.847 0.559 1.00 0.00 C ATOM 793 CE1 TYR A 994 0.264 -2.341 1.060 1.00 0.00 C ATOM 794 CE2 TYR A 994 -1.302 -4.091 1.657 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.733 -2.838 1.907 1.00 0.00 C ATOM 796 OH TYR A 994 -1.152 -2.092 2.990 1.00 0.00 O ATOM 0 H TYR A 994 1.784 -6.777 -2.911 1.00 0.00 H new ATOM 0 HA TYR A 994 2.259 -4.088 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 994 0.008 -4.897 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.321 -6.245 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 994 1.460 -2.709 -0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -1.318 -5.814 0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 994 0.704 -1.374 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -2.070 -4.475 2.312 1.00 0.00 H new ATOM 0 HH TYR A 994 -0.668 -1.240 3.007 1.00 0.00 H new ATOM 806 N ASN A 995 3.007 -6.344 0.087 1.00 0.00 N ATOM 807 CA ASN A 995 3.750 -6.534 1.323 1.00 0.00 C ATOM 808 C ASN A 995 5.189 -6.079 1.121 1.00 0.00 C ATOM 809 O ASN A 995 5.768 -5.410 1.980 1.00 0.00 O ATOM 810 CB ASN A 995 3.717 -8.010 1.738 1.00 0.00 C ATOM 811 CG ASN A 995 2.370 -8.346 2.373 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.148 -8.051 3.548 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.454 -8.944 1.662 1.00 0.00 N ATOM 0 H ASN A 995 2.629 -7.199 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 995 3.291 -5.941 2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.886 -8.644 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.522 -8.216 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.551 -9.169 2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.641 -9.187 0.689 1.00 0.00 H new ATOM 820 N ALA A 996 5.759 -6.422 -0.030 1.00 0.00 N ATOM 821 CA ALA A 996 7.120 -6.009 -0.324 1.00 0.00 C ATOM 822 C ALA A 996 7.185 -4.496 -0.414 1.00 0.00 C ATOM 823 O ALA A 996 8.095 -3.876 0.109 1.00 0.00 O ATOM 824 CB ALA A 996 7.587 -6.588 -1.650 1.00 0.00 C ATOM 0 H ALA A 996 5.308 -6.974 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 996 7.764 -6.373 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.609 -6.265 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.553 -7.676 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.934 -6.238 -2.450 1.00 0.00 H new ATOM 830 N TRP A 997 6.208 -3.901 -1.077 1.00 0.00 N ATOM 831 CA TRP A 997 6.197 -2.458 -1.217 1.00 0.00 C ATOM 832 C TRP A 997 6.304 -1.826 0.163 1.00 0.00 C ATOM 833 O TRP A 997 7.067 -0.879 0.369 1.00 0.00 O ATOM 834 CB TRP A 997 4.913 -2.004 -1.914 1.00 0.00 C ATOM 835 CG TRP A 997 4.863 -0.512 -1.953 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.606 0.265 -2.773 1.00 0.00 C ATOM 837 CD2 TRP A 997 4.037 0.394 -1.166 1.00 0.00 C ATOM 838 NE1 TRP A 997 5.293 1.591 -2.537 1.00 0.00 N ATOM 839 CE2 TRP A 997 4.330 1.721 -1.555 1.00 0.00 C ATOM 840 CE3 TRP A 997 3.073 0.195 -0.161 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.692 2.812 -0.970 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.426 1.294 0.430 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.736 2.599 0.025 1.00 0.00 C ATOM 0 H TRP A 997 5.426 -4.385 -1.519 1.00 0.00 H new ATOM 0 HA TRP A 997 7.044 -2.143 -1.827 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.876 -2.405 -2.927 1.00 0.00 H new ATOM 0 HB3 TRP A 997 4.043 -2.393 -1.385 1.00 0.00 H new ATOM 0 HD1 TRP A 997 6.326 -0.092 -3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.720 2.376 -3.028 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.829 -0.807 0.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.935 3.816 -1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.686 1.132 1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 997 2.236 3.440 0.482 1.00 0.00 H new ATOM 854 N LEU A 998 5.575 -2.388 1.120 1.00 0.00 N ATOM 855 CA LEU A 998 5.645 -1.894 2.486 1.00 0.00 C ATOM 856 C LEU A 998 7.063 -2.101 3.004 1.00 0.00 C ATOM 857 O LEU A 998 7.613 -1.255 3.699 1.00 0.00 O ATOM 858 CB LEU A 998 4.658 -2.642 3.390 1.00 0.00 C ATOM 859 CG LEU A 998 3.209 -2.268 3.040 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.256 -3.243 3.749 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.896 -0.825 3.488 1.00 0.00 C ATOM 0 H LEU A 998 4.939 -3.173 0.978 1.00 0.00 H new ATOM 0 HA LEU A 998 5.383 -0.836 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.798 -3.717 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.859 -2.401 4.434 1.00 0.00 H new ATOM 0 HG LEU A 998 3.077 -2.331 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.225 -2.985 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.463 -4.260 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.403 -3.176 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.865 -0.580 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.031 -0.741 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.570 -0.133 2.983 1.00 0.00 H new ATOM 873 N GLU A 999 7.660 -3.237 2.649 1.00 0.00 N ATOM 874 CA GLU A 999 9.023 -3.521 3.079 1.00 0.00 C ATOM 875 C GLU A 999 9.984 -2.484 2.494 1.00 0.00 C ATOM 876 O GLU A 999 10.913 -2.036 3.170 1.00 0.00 O ATOM 877 CB GLU A 999 9.443 -4.935 2.635 1.00 0.00 C ATOM 878 CG GLU A 999 10.877 -5.213 3.092 1.00 0.00 C ATOM 879 CD GLU A 999 11.265 -6.648 2.756 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.510 -7.294 2.048 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.314 -7.079 3.203 1.00 0.00 O ATOM 0 H GLU A 999 7.229 -3.962 2.075 1.00 0.00 H new ATOM 0 HA GLU A 999 9.062 -3.470 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.766 -5.676 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.373 -5.022 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.563 -4.519 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 999 10.963 -5.047 4.166 1.00 0.00 H new ATOM 888 N LEU A1000 9.761 -2.108 1.237 1.00 0.00 N ATOM 889 CA LEU A1000 10.624 -1.132 0.581 1.00 0.00 C ATOM 890 C LEU A1000 10.560 0.215 1.295 1.00 0.00 C ATOM 891 O LEU A1000 11.586 0.853 1.532 1.00 0.00 O ATOM 892 CB LEU A1000 10.186 -0.906 -0.875 1.00 0.00 C ATOM 893 CG LEU A1000 10.281 -2.192 -1.710 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.821 -1.886 -3.137 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.720 -2.719 -1.736 1.00 0.00 C ATOM 0 H LEU A1000 8.998 -2.460 0.658 1.00 0.00 H new ATOM 0 HA LEU A1000 11.638 -1.530 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A1000 9.160 -0.537 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.810 -0.134 -1.326 1.00 0.00 H new ATOM 0 HG LEU A1000 9.646 -2.956 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.883 -2.791 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.790 -1.532 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.461 -1.117 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.763 -3.630 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.375 -1.966 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A1000 12.046 -2.936 -0.719 1.00 0.00 H new ATOM 907 N ARG A1001 9.355 0.665 1.628 1.00 0.00 N ATOM 908 CA ARG A1001 9.227 1.955 2.299 1.00 0.00 C ATOM 909 C ARG A1001 9.689 1.849 3.744 1.00 0.00 C ATOM 910 O ARG A1001 10.202 2.805 4.324 1.00 0.00 O ATOM 911 CB ARG A1001 7.794 2.495 2.213 1.00 0.00 C ATOM 912 CG ARG A1001 6.913 1.992 3.369 1.00 0.00 C ATOM 913 CD ARG A1001 5.465 2.429 3.140 1.00 0.00 C ATOM 914 NE ARG A1001 4.638 2.023 4.271 1.00 0.00 N ATOM 915 CZ ARG A1001 3.378 2.422 4.384 1.00 0.00 C ATOM 916 NH1 ARG A1001 2.854 3.203 3.478 1.00 0.00 N ATOM 917 NH2 ARG A1001 2.662 2.035 5.405 1.00 0.00 N ATOM 0 H ARG A1001 8.478 0.175 1.452 1.00 0.00 H new ATOM 0 HA ARG A1001 9.871 2.668 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A1001 7.817 3.585 2.224 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.351 2.195 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.969 0.905 3.436 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.278 2.389 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.418 3.511 3.014 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.083 1.984 2.221 1.00 0.00 H new ATOM 0 HE ARG A1001 5.037 1.420 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A1001 3.414 3.507 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A1001 1.885 3.509 3.567 1.00 0.00 H new ATOM 0 HH21 ARG A1001 3.072 1.427 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A1001 1.693 2.341 5.494 1.00 0.00 H new ATOM 931 N ALA A1002 9.487 0.681 4.324 1.00 0.00 N ATOM 932 CA ALA A1002 9.876 0.454 5.703 1.00 0.00 C ATOM 933 C ALA A1002 11.381 0.599 5.842 1.00 0.00 C ATOM 934 O ALA A1002 11.874 1.191 6.801 1.00 0.00 O ATOM 935 CB ALA A1002 9.444 -0.945 6.149 1.00 0.00 C ATOM 0 H ALA A1002 9.058 -0.122 3.864 1.00 0.00 H new ATOM 0 HA ALA A1002 9.384 1.192 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A1002 9.741 -1.104 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.361 -1.036 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A1002 9.922 -1.692 5.516 1.00 0.00 H new ATOM 941 N LYS A1003 12.112 0.067 4.864 1.00 0.00 N ATOM 942 CA LYS A1003 13.570 0.167 4.888 1.00 0.00 C ATOM 943 C LYS A1003 14.009 1.542 4.391 1.00 0.00 C ATOM 944 O LYS A1003 15.106 2.004 4.703 1.00 0.00 O ATOM 945 CB LYS A1003 14.220 -0.953 4.053 1.00 0.00 C ATOM 946 CG LYS A1003 14.078 -0.698 2.551 1.00 0.00 C ATOM 947 CD LYS A1003 14.804 -1.809 1.790 1.00 0.00 C ATOM 948 CE LYS A1003 14.853 -1.468 0.301 1.00 0.00 C ATOM 949 NZ LYS A1003 15.616 -2.524 -0.424 1.00 0.00 N ATOM 0 H LYS A1003 11.728 -0.429 4.059 1.00 0.00 H new ATOM 0 HA LYS A1003 13.906 0.044 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A1003 15.276 -1.031 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A1003 13.759 -1.908 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A1003 13.025 -0.675 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A1003 14.499 0.274 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A1003 15.815 -1.928 2.179 1.00 0.00 H new ATOM 0 HD3 LYS A1003 14.291 -2.759 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A1003 13.842 -1.394 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.326 -0.497 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 15.650 -2.293 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.584 -2.573 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.147 -3.443 -0.294 1.00 0.00 H new ATOM 963 N ARG A1004 13.149 2.170 3.588 1.00 0.00 N ATOM 964 CA ARG A1004 13.437 3.483 3.010 1.00 0.00 C ATOM 965 C ARG A1004 13.724 4.521 4.100 1.00 0.00 C ATOM 966 O ARG A1004 12.926 5.426 4.342 1.00 0.00 O ATOM 967 CB ARG A1004 12.240 3.923 2.162 1.00 0.00 C ATOM 968 CG ARG A1004 12.541 5.215 1.413 1.00 0.00 C ATOM 969 CD ARG A1004 11.302 5.657 0.629 1.00 0.00 C ATOM 970 NE ARG A1004 11.647 6.756 -0.263 1.00 0.00 N ATOM 971 CZ ARG A1004 10.709 7.488 -0.857 1.00 0.00 C ATOM 972 NH1 ARG A1004 9.448 7.268 -0.603 1.00 0.00 N ATOM 973 NH2 ARG A1004 11.051 8.435 -1.688 1.00 0.00 N ATOM 0 H ARG A1004 12.242 1.787 3.322 1.00 0.00 H new ATOM 0 HA ARG A1004 14.328 3.407 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A1004 11.987 3.137 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A1004 11.370 4.065 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A1004 12.836 5.994 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A1004 13.380 5.066 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A1004 10.907 4.820 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A1004 10.517 5.969 1.318 1.00 0.00 H new ATOM 0 HE ARG A1004 12.630 6.969 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A1004 9.180 6.534 0.052 1.00 0.00 H new ATOM 0 HH12 ARG A1004 8.730 7.831 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.037 8.613 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A1004 10.333 8.997 -2.144 1.00 0.00 H new ATOM 987 N LEU A1005 14.882 4.383 4.748 1.00 0.00 N ATOM 988 CA LEU A1005 15.305 5.307 5.805 1.00 0.00 C ATOM 989 C LEU A1005 16.524 6.104 5.336 1.00 0.00 C ATOM 990 O LEU A1005 17.405 5.571 4.663 1.00 0.00 O ATOM 991 CB LEU A1005 15.648 4.519 7.089 1.00 0.00 C ATOM 992 CG LEU A1005 14.399 4.343 7.963 1.00 0.00 C ATOM 993 CD1 LEU A1005 13.347 3.509 7.228 1.00 0.00 C ATOM 994 CD2 LEU A1005 14.788 3.645 9.268 1.00 0.00 C ATOM 0 H LEU A1005 15.549 3.635 4.558 1.00 0.00 H new ATOM 0 HA LEU A1005 14.491 5.998 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A1005 16.055 3.543 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A1005 16.420 5.045 7.650 1.00 0.00 H new ATOM 0 HG LEU A1005 13.977 5.324 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A1005 12.467 3.393 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A1005 13.065 4.012 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A1005 13.759 2.527 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A1005 13.903 3.519 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A1005 15.217 2.668 9.044 1.00 0.00 H new ATOM 0 HD23 LEU A1005 15.522 4.250 9.800 1.00 0.00 H new ATOM 1006 N SER A1006 16.559 7.385 5.691 1.00 0.00 N ATOM 1007 CA SER A1006 17.670 8.248 5.297 1.00 0.00 C ATOM 1008 C SER A1006 19.004 7.544 5.518 1.00 0.00 C ATOM 1009 O SER A1006 19.102 6.781 6.466 1.00 0.00 O ATOM 1010 CB SER A1006 17.635 9.544 6.108 1.00 0.00 C ATOM 1011 OG SER A1006 16.505 10.312 5.714 1.00 0.00 O ATOM 0 H SER A1006 15.838 7.846 6.246 1.00 0.00 H new ATOM 0 HA SER A1006 17.567 8.478 4.237 1.00 0.00 H new ATOM 0 HB2 SER A1006 17.583 9.319 7.173 1.00 0.00 H new ATOM 0 HB3 SER A1006 18.551 10.113 5.946 1.00 0.00 H new ATOM 0 HG SER A1006 16.477 11.143 6.233 1.00 0.00 H new TER 1017 SER A1006