USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=11 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 108:sc= -3.06! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.06! C(o=-10!,f=-10!) USER MOD Single : A 947 MET CE :methyl -123:sc= 0 (180deg=-0.184) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= 0.166! K(o=0.17!,f=-1.5) USER MOD Single : A 968 LYS NZ :NH3+ -148:sc= -0.181 (180deg=-0.919) USER MOD Single : A 970 MET CE :methyl -161:sc= -0.546 (180deg=-2.06) USER MOD Single : A 973 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 979 LYS NZ :NH3+ -121:sc= -0.172 (180deg=-0.974) USER MOD Single : A 984 SER OG : rot -10:sc= 0.19 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -70:sc= -0.919 USER MOD Single : A 992 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.13) USER MOD Single : A 994 TYR OH : rot 59:sc= 0.163 USER MOD Single : A 995 ASN : amide:sc= -0.0678 K(o=-0.068,f=-1) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 SER OG : rot -61:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -19.064 -5.401 10.454 1.00 0.00 N ATOM 2 CA GLY A 945 -20.194 -5.820 9.575 1.00 0.00 C ATOM 3 C GLY A 945 -20.495 -4.711 8.574 1.00 0.00 C ATOM 4 O GLY A 945 -20.768 -4.975 7.403 1.00 0.00 O ATOM 0 HA2 GLY A 945 -19.938 -6.740 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -21.078 -6.032 10.177 1.00 0.00 H new ATOM 7 N ALA A 946 -20.437 -3.470 9.044 1.00 0.00 N ATOM 8 CA ALA A 946 -20.700 -2.319 8.187 1.00 0.00 C ATOM 9 C ALA A 946 -19.663 -2.234 7.073 1.00 0.00 C ATOM 10 O ALA A 946 -19.950 -1.753 5.976 1.00 0.00 O ATOM 11 CB ALA A 946 -20.660 -1.034 9.015 1.00 0.00 C ATOM 0 H ALA A 946 -20.211 -3.235 10.011 1.00 0.00 H new ATOM 0 HA ALA A 946 -21.688 -2.438 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -20.857 -0.179 8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -21.418 -1.081 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -19.676 -0.925 9.471 1.00 0.00 H new ATOM 17 N MET A 947 -18.452 -2.696 7.370 1.00 0.00 N ATOM 18 CA MET A 947 -17.363 -2.664 6.395 1.00 0.00 C ATOM 19 C MET A 947 -17.333 -1.323 5.668 1.00 0.00 C ATOM 20 O MET A 947 -17.170 -1.271 4.449 1.00 0.00 O ATOM 21 CB MET A 947 -17.526 -3.796 5.379 1.00 0.00 C ATOM 22 CG MET A 947 -17.385 -5.144 6.088 1.00 0.00 C ATOM 23 SD MET A 947 -17.641 -6.495 4.905 1.00 0.00 S ATOM 24 CE MET A 947 -16.013 -6.445 4.113 1.00 0.00 C ATOM 0 H MET A 947 -18.199 -3.096 8.274 1.00 0.00 H new ATOM 0 HA MET A 947 -16.423 -2.796 6.931 1.00 0.00 H new ATOM 0 HB2 MET A 947 -18.501 -3.728 4.896 1.00 0.00 H new ATOM 0 HB3 MET A 947 -16.775 -3.706 4.595 1.00 0.00 H new ATOM 0 HG2 MET A 947 -16.396 -5.226 6.538 1.00 0.00 H new ATOM 0 HG3 MET A 947 -18.111 -5.216 6.898 1.00 0.00 H new ATOM 0 HE1 MET A 947 -16.135 -6.294 3.040 1.00 0.00 H new ATOM 0 HE2 MET A 947 -15.430 -5.624 4.531 1.00 0.00 H new ATOM 0 HE3 MET A 947 -15.493 -7.386 4.290 1.00 0.00 H new ATOM 34 N ALA A 948 -17.494 -0.241 6.429 1.00 0.00 N ATOM 35 CA ALA A 948 -17.489 1.107 5.859 1.00 0.00 C ATOM 36 C ALA A 948 -16.739 2.072 6.773 1.00 0.00 C ATOM 37 O ALA A 948 -17.325 2.674 7.675 1.00 0.00 O ATOM 38 CB ALA A 948 -18.925 1.596 5.666 1.00 0.00 C ATOM 0 H ALA A 948 -17.629 -0.271 7.440 1.00 0.00 H new ATOM 0 HA ALA A 948 -16.984 1.072 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -18.914 2.600 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -19.451 0.922 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -19.435 1.615 6.629 1.00 0.00 H new ATOM 44 N ILE A 949 -15.436 2.217 6.529 1.00 0.00 N ATOM 45 CA ILE A 949 -14.592 3.114 7.323 1.00 0.00 C ATOM 46 C ILE A 949 -13.946 4.165 6.423 1.00 0.00 C ATOM 47 O ILE A 949 -13.619 3.890 5.269 1.00 0.00 O ATOM 48 CB ILE A 949 -13.505 2.298 8.022 1.00 0.00 C ATOM 49 CG1 ILE A 949 -12.845 1.364 7.005 1.00 0.00 C ATOM 50 CG2 ILE A 949 -14.133 1.467 9.143 1.00 0.00 C ATOM 51 CD1 ILE A 949 -11.652 0.656 7.652 1.00 0.00 C ATOM 0 H ILE A 949 -14.940 1.724 5.786 1.00 0.00 H new ATOM 0 HA ILE A 949 -15.208 3.619 8.067 1.00 0.00 H new ATOM 0 HB ILE A 949 -12.757 2.969 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -13.567 0.629 6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -12.515 1.933 6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -13.358 0.885 9.642 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -14.610 2.131 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -14.879 0.793 8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -11.185 -0.008 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -10.926 1.397 7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -11.995 0.074 8.507 1.00 0.00 H new ATOM 63 N ALA A 950 -13.777 5.372 6.957 1.00 0.00 N ATOM 64 CA ALA A 950 -13.183 6.468 6.193 1.00 0.00 C ATOM 65 C ALA A 950 -11.660 6.447 6.288 1.00 0.00 C ATOM 66 O ALA A 950 -11.009 7.476 6.097 1.00 0.00 O ATOM 67 CB ALA A 950 -13.705 7.805 6.718 1.00 0.00 C ATOM 0 H ALA A 950 -14.041 5.616 7.911 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.465 6.342 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.260 8.619 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.789 7.839 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -13.438 7.912 7.769 1.00 0.00 H new ATOM 73 N LEU A 951 -11.097 5.275 6.573 1.00 0.00 N ATOM 74 CA LEU A 951 -9.649 5.130 6.684 1.00 0.00 C ATOM 75 C LEU A 951 -9.085 6.120 7.707 1.00 0.00 C ATOM 76 O LEU A 951 -9.702 7.139 8.014 1.00 0.00 O ATOM 77 CB LEU A 951 -9.000 5.361 5.304 1.00 0.00 C ATOM 78 CG LEU A 951 -8.893 4.034 4.543 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.289 3.429 4.369 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.266 4.287 3.172 1.00 0.00 C ATOM 0 H LEU A 951 -11.621 4.414 6.731 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.420 4.120 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.593 6.072 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -8.010 5.799 5.428 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.269 3.339 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.212 2.486 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.733 3.250 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.917 4.120 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.188 3.346 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.890 4.981 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.272 4.715 3.300 1.00 0.00 H new ATOM 92 N ARG A 952 -7.905 5.797 8.226 1.00 0.00 N ATOM 93 CA ARG A 952 -7.241 6.647 9.209 1.00 0.00 C ATOM 94 C ARG A 952 -6.370 7.673 8.494 1.00 0.00 C ATOM 95 O ARG A 952 -6.068 7.522 7.310 1.00 0.00 O ATOM 96 CB ARG A 952 -6.370 5.795 10.145 1.00 0.00 C ATOM 97 CG ARG A 952 -7.100 4.504 10.537 1.00 0.00 C ATOM 98 CD ARG A 952 -8.350 4.838 11.341 1.00 0.00 C ATOM 99 NE ARG A 952 -8.006 5.671 12.489 1.00 0.00 N ATOM 100 CZ ARG A 952 -8.948 6.182 13.276 1.00 0.00 C ATOM 101 NH1 ARG A 952 -10.207 5.937 13.034 1.00 0.00 N ATOM 102 NH2 ARG A 952 -8.612 6.932 14.289 1.00 0.00 N ATOM 0 H ARG A 952 -7.388 4.952 7.982 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.999 7.161 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.429 5.551 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.123 6.366 11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.372 3.944 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -6.439 3.866 11.124 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -9.069 5.358 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -8.829 3.919 11.680 1.00 0.00 H new ATOM 0 HE ARG A 952 -7.025 5.865 12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -10.469 5.353 12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -10.928 6.330 13.639 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -7.628 7.125 14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -9.333 7.325 14.894 1.00 0.00 H new ATOM 116 N ASP A 953 -5.962 8.712 9.211 1.00 0.00 N ATOM 117 CA ASP A 953 -5.124 9.742 8.611 1.00 0.00 C ATOM 118 C ASP A 953 -3.864 9.095 8.037 1.00 0.00 C ATOM 119 O ASP A 953 -3.464 9.385 6.909 1.00 0.00 O ATOM 120 CB ASP A 953 -4.735 10.785 9.674 1.00 0.00 C ATOM 121 CG ASP A 953 -5.851 11.812 9.863 1.00 0.00 C ATOM 122 OD1 ASP A 953 -6.814 11.766 9.114 1.00 0.00 O ATOM 123 OD2 ASP A 953 -5.724 12.630 10.759 1.00 0.00 O ATOM 0 H ASP A 953 -6.193 8.863 10.193 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.675 10.239 7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -4.530 10.286 10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -3.817 11.290 9.375 1.00 0.00 H new ATOM 128 N ASP A 954 -3.254 8.214 8.821 1.00 0.00 N ATOM 129 CA ASP A 954 -2.048 7.519 8.387 1.00 0.00 C ATOM 130 C ASP A 954 -2.353 6.626 7.188 1.00 0.00 C ATOM 131 O ASP A 954 -1.584 6.568 6.230 1.00 0.00 O ATOM 132 CB ASP A 954 -1.504 6.664 9.534 1.00 0.00 C ATOM 133 CG ASP A 954 -0.896 7.558 10.611 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.608 8.704 10.310 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.734 7.083 11.723 1.00 0.00 O ATOM 0 H ASP A 954 -3.573 7.965 9.757 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.303 8.260 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.306 6.061 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.751 5.972 9.157 1.00 0.00 H new ATOM 140 N GLU A 955 -3.482 5.925 7.261 1.00 0.00 N ATOM 141 CA GLU A 955 -3.895 5.023 6.192 1.00 0.00 C ATOM 142 C GLU A 955 -4.219 5.793 4.916 1.00 0.00 C ATOM 143 O GLU A 955 -3.917 5.337 3.813 1.00 0.00 O ATOM 144 CB GLU A 955 -5.132 4.244 6.629 1.00 0.00 C ATOM 145 CG GLU A 955 -4.795 3.363 7.834 1.00 0.00 C ATOM 146 CD GLU A 955 -4.026 2.127 7.384 1.00 0.00 C ATOM 147 OE1 GLU A 955 -2.841 2.253 7.123 1.00 0.00 O ATOM 148 OE2 GLU A 955 -4.632 1.069 7.309 1.00 0.00 O ATOM 0 H GLU A 955 -4.127 5.965 8.050 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.070 4.340 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.935 4.935 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.493 3.627 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.201 3.928 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.711 3.065 8.343 1.00 0.00 H new ATOM 155 N TYR A 956 -4.842 6.953 5.074 1.00 0.00 N ATOM 156 CA TYR A 956 -5.210 7.768 3.924 1.00 0.00 C ATOM 157 C TYR A 956 -3.962 8.138 3.134 1.00 0.00 C ATOM 158 O TYR A 956 -3.939 8.061 1.903 1.00 0.00 O ATOM 159 CB TYR A 956 -5.915 9.043 4.391 1.00 0.00 C ATOM 160 CG TYR A 956 -6.359 9.840 3.188 1.00 0.00 C ATOM 161 CD1 TYR A 956 -5.491 10.768 2.599 1.00 0.00 C ATOM 162 CD2 TYR A 956 -7.641 9.649 2.659 1.00 0.00 C ATOM 163 CE1 TYR A 956 -5.906 11.504 1.483 1.00 0.00 C ATOM 164 CE2 TYR A 956 -8.056 10.383 1.543 1.00 0.00 C ATOM 165 CZ TYR A 956 -7.188 11.312 0.955 1.00 0.00 C ATOM 166 OH TYR A 956 -7.598 12.036 -0.147 1.00 0.00 O ATOM 0 H TYR A 956 -5.101 7.348 5.978 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.886 7.197 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.775 8.790 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.242 9.639 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -4.502 10.916 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -8.311 8.934 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -5.237 12.220 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -9.045 10.234 1.135 1.00 0.00 H new ATOM 0 HH TYR A 956 -8.514 11.780 -0.385 1.00 0.00 H new ATOM 176 N ASP A 957 -2.920 8.530 3.857 1.00 0.00 N ATOM 177 CA ASP A 957 -1.663 8.902 3.225 1.00 0.00 C ATOM 178 C ASP A 957 -1.085 7.704 2.487 1.00 0.00 C ATOM 179 O ASP A 957 -0.513 7.841 1.404 1.00 0.00 O ATOM 180 CB ASP A 957 -0.660 9.383 4.278 1.00 0.00 C ATOM 181 CG ASP A 957 0.505 10.090 3.597 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.602 9.996 2.383 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.283 10.716 4.297 1.00 0.00 O ATOM 0 H ASP A 957 -2.921 8.598 4.875 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.853 9.711 2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -1.150 10.061 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.294 8.536 4.858 1.00 0.00 H new ATOM 188 N GLU A 958 -1.241 6.526 3.084 1.00 0.00 N ATOM 189 CA GLU A 958 -0.737 5.302 2.479 1.00 0.00 C ATOM 190 C GLU A 958 -1.493 5.011 1.189 1.00 0.00 C ATOM 191 O GLU A 958 -0.907 4.570 0.200 1.00 0.00 O ATOM 192 CB GLU A 958 -0.903 4.127 3.444 1.00 0.00 C ATOM 193 CG GLU A 958 -0.235 2.884 2.853 1.00 0.00 C ATOM 194 CD GLU A 958 -0.367 1.709 3.817 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.455 1.507 4.329 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.624 1.026 4.024 1.00 0.00 O ATOM 0 H GLU A 958 -1.710 6.395 3.980 1.00 0.00 H new ATOM 0 HA GLU A 958 0.322 5.434 2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.457 4.369 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.961 3.935 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -0.696 2.634 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.818 3.086 2.656 1.00 0.00 H new ATOM 203 N TRP A 959 -2.799 5.268 1.201 1.00 0.00 N ATOM 204 CA TRP A 959 -3.621 5.038 0.025 1.00 0.00 C ATOM 205 C TRP A 959 -3.142 5.930 -1.120 1.00 0.00 C ATOM 206 O TRP A 959 -2.934 5.465 -2.232 1.00 0.00 O ATOM 207 CB TRP A 959 -5.093 5.310 0.368 1.00 0.00 C ATOM 208 CG TRP A 959 -5.925 5.385 -0.868 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.029 4.421 -1.810 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.789 6.469 -1.294 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.905 4.852 -2.792 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.400 6.112 -2.515 1.00 0.00 C ATOM 213 CE3 TRP A 959 -7.092 7.719 -0.736 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.287 6.969 -3.167 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.980 8.588 -1.384 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.581 8.214 -2.598 1.00 0.00 C ATOM 0 H TRP A 959 -3.304 5.633 2.008 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.531 4.000 -0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.471 4.520 1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.174 6.245 0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.514 3.472 -1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.154 4.307 -3.617 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.638 8.014 0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.742 6.675 -4.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.204 9.550 -0.948 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.268 8.886 -3.091 1.00 0.00 H new ATOM 227 N GLN A 960 -2.941 7.207 -0.848 1.00 0.00 N ATOM 228 CA GLN A 960 -2.466 8.104 -1.895 1.00 0.00 C ATOM 229 C GLN A 960 -1.078 7.684 -2.364 1.00 0.00 C ATOM 230 O GLN A 960 -0.755 7.773 -3.551 1.00 0.00 O ATOM 231 CB GLN A 960 -2.421 9.548 -1.382 1.00 0.00 C ATOM 232 CG GLN A 960 -3.844 10.063 -1.158 1.00 0.00 C ATOM 233 CD GLN A 960 -4.574 10.194 -2.493 1.00 0.00 C ATOM 234 OE1 GLN A 960 -4.149 10.958 -3.360 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.645 9.484 -2.713 1.00 0.00 N ATOM 0 H GLN A 960 -3.093 7.641 0.062 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.159 8.046 -2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.857 9.595 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.904 10.183 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.387 9.381 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.814 11.030 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.995 8.852 -1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -6.133 9.561 -3.605 1.00 0.00 H new ATOM 244 N ASP A 961 -0.260 7.225 -1.427 1.00 0.00 N ATOM 245 CA ASP A 961 1.094 6.797 -1.751 1.00 0.00 C ATOM 246 C ASP A 961 1.087 5.587 -2.685 1.00 0.00 C ATOM 247 O ASP A 961 1.912 5.495 -3.600 1.00 0.00 O ATOM 248 CB ASP A 961 1.851 6.449 -0.468 1.00 0.00 C ATOM 249 CG ASP A 961 2.175 7.720 0.309 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.058 8.791 -0.265 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.535 7.606 1.469 1.00 0.00 O ATOM 0 H ASP A 961 -0.508 7.140 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 961 1.593 7.620 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.250 5.780 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.771 5.918 -0.712 1.00 0.00 H new ATOM 256 N ILE A 962 0.162 4.655 -2.462 1.00 0.00 N ATOM 257 CA ILE A 962 0.103 3.469 -3.308 1.00 0.00 C ATOM 258 C ILE A 962 -0.351 3.879 -4.703 1.00 0.00 C ATOM 259 O ILE A 962 0.133 3.359 -5.708 1.00 0.00 O ATOM 260 CB ILE A 962 -0.830 2.391 -2.692 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.280 0.991 -3.003 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.251 2.492 -3.265 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.182 -0.069 -2.374 1.00 0.00 C ATOM 0 H ILE A 962 -0.539 4.696 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 962 1.094 3.020 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.867 2.559 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.226 0.843 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.735 0.894 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.880 1.724 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.664 3.476 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.219 2.347 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.788 -1.061 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.214 0.074 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.189 0.022 -2.782 1.00 0.00 H new ATOM 275 N ILE A 963 -1.280 4.831 -4.750 1.00 0.00 N ATOM 276 CA ILE A 963 -1.783 5.314 -6.026 1.00 0.00 C ATOM 277 C ILE A 963 -0.635 5.898 -6.829 1.00 0.00 C ATOM 278 O ILE A 963 -0.505 5.633 -8.025 1.00 0.00 O ATOM 279 CB ILE A 963 -2.868 6.372 -5.796 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.098 5.675 -5.210 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.233 7.037 -7.124 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.202 6.684 -4.858 1.00 0.00 C ATOM 0 H ILE A 963 -1.693 5.276 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.223 4.486 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.507 7.139 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.482 4.949 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.812 5.120 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -4.005 7.788 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.349 7.514 -7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.606 6.284 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -6.060 6.155 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.825 7.394 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.505 7.220 -5.757 1.00 0.00 H new ATOM 294 N ARG A 964 0.213 6.668 -6.167 1.00 0.00 N ATOM 295 CA ARG A 964 1.362 7.243 -6.841 1.00 0.00 C ATOM 296 C ARG A 964 2.243 6.115 -7.369 1.00 0.00 C ATOM 297 O ARG A 964 2.777 6.193 -8.475 1.00 0.00 O ATOM 298 CB ARG A 964 2.159 8.129 -5.877 1.00 0.00 C ATOM 299 CG ARG A 964 3.316 8.796 -6.627 1.00 0.00 C ATOM 300 CD ARG A 964 4.138 9.641 -5.653 1.00 0.00 C ATOM 301 NE ARG A 964 3.354 10.775 -5.175 1.00 0.00 N ATOM 302 CZ ARG A 964 3.272 11.900 -5.879 1.00 0.00 C ATOM 303 NH1 ARG A 964 3.896 12.001 -7.021 1.00 0.00 N ATOM 304 NH2 ARG A 964 2.567 12.903 -5.431 1.00 0.00 N ATOM 0 H ARG A 964 0.129 6.906 -5.179 1.00 0.00 H new ATOM 0 HA ARG A 964 1.023 7.862 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.508 8.888 -5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.545 7.530 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 964 3.948 8.038 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 964 2.929 9.422 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.455 9.029 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 964 5.042 9.998 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 964 2.860 10.703 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 964 4.446 11.217 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 964 3.834 12.864 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 964 2.078 12.825 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 964 2.505 13.765 -5.972 1.00 0.00 H new ATOM 318 N ASP A 965 2.389 5.064 -6.561 1.00 0.00 N ATOM 319 CA ASP A 965 3.211 3.919 -6.949 1.00 0.00 C ATOM 320 C ASP A 965 2.684 3.248 -8.223 1.00 0.00 C ATOM 321 O ASP A 965 3.465 2.896 -9.105 1.00 0.00 O ATOM 322 CB ASP A 965 3.251 2.897 -5.812 1.00 0.00 C ATOM 323 CG ASP A 965 4.317 1.845 -6.095 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.455 2.228 -6.317 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.983 0.673 -6.087 1.00 0.00 O ATOM 0 H ASP A 965 1.953 4.982 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 965 4.216 4.288 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.465 3.399 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.277 2.420 -5.706 1.00 0.00 H new ATOM 330 N TRP A 966 1.365 3.069 -8.327 1.00 0.00 N ATOM 331 CA TRP A 966 0.798 2.431 -9.520 1.00 0.00 C ATOM 332 C TRP A 966 0.813 3.408 -10.693 1.00 0.00 C ATOM 333 O TRP A 966 0.450 3.056 -11.816 1.00 0.00 O ATOM 334 CB TRP A 966 -0.645 1.980 -9.274 1.00 0.00 C ATOM 335 CG TRP A 966 -0.721 1.049 -8.109 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.377 1.310 -6.958 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.154 -0.286 -7.965 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.255 0.225 -6.117 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.505 -0.785 -6.688 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.623 -1.102 -8.804 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.101 -2.049 -6.258 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.032 -2.375 -8.376 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.672 -2.848 -7.105 1.00 0.00 C ATOM 0 H TRP A 966 0.684 3.348 -7.621 1.00 0.00 H new ATOM 0 HA TRP A 966 1.409 1.558 -9.750 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.276 2.850 -9.091 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -1.033 1.486 -10.165 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.911 2.221 -6.733 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.668 0.174 -5.186 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.907 -0.748 -9.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.383 -2.407 -5.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.628 -2.995 -9.030 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.992 -3.828 -6.782 1.00 0.00 H new ATOM 354 N ARG A 967 1.242 4.636 -10.421 1.00 0.00 N ATOM 355 CA ARG A 967 1.315 5.671 -11.448 1.00 0.00 C ATOM 356 C ARG A 967 -0.036 5.879 -12.134 1.00 0.00 C ATOM 357 O ARG A 967 -0.100 6.428 -13.232 1.00 0.00 O ATOM 358 CB ARG A 967 2.359 5.285 -12.500 1.00 0.00 C ATOM 359 CG ARG A 967 3.737 5.192 -11.844 1.00 0.00 C ATOM 360 CD ARG A 967 4.781 4.822 -12.897 1.00 0.00 C ATOM 361 NE ARG A 967 6.084 4.627 -12.271 1.00 0.00 N ATOM 362 CZ ARG A 967 6.897 5.652 -12.029 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.534 6.864 -12.347 1.00 0.00 N ATOM 364 NH2 ARG A 967 8.056 5.444 -11.466 1.00 0.00 N ATOM 0 H ARG A 967 1.545 4.940 -9.496 1.00 0.00 H new ATOM 0 HA ARG A 967 1.599 6.603 -10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.096 4.330 -12.955 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.375 6.025 -13.300 1.00 0.00 H new ATOM 0 HG2 ARG A 967 3.995 6.144 -11.380 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.724 4.444 -11.051 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.479 3.912 -13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.845 5.609 -13.648 1.00 0.00 H new ATOM 0 HE ARG A 967 6.378 3.685 -12.013 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.626 7.027 -12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.158 7.649 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.337 4.497 -11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 967 8.681 6.229 -11.280 1.00 0.00 H new ATOM 378 N LYS A 968 -1.116 5.454 -11.479 1.00 0.00 N ATOM 379 CA LYS A 968 -2.463 5.619 -12.035 1.00 0.00 C ATOM 380 C LYS A 968 -3.481 5.784 -10.909 1.00 0.00 C ATOM 381 O LYS A 968 -3.373 5.136 -9.870 1.00 0.00 O ATOM 382 CB LYS A 968 -2.831 4.409 -12.902 1.00 0.00 C ATOM 383 CG LYS A 968 -2.847 3.146 -12.038 1.00 0.00 C ATOM 384 CD LYS A 968 -3.111 1.904 -12.914 1.00 0.00 C ATOM 385 CE LYS A 968 -4.619 1.690 -13.085 1.00 0.00 C ATOM 386 NZ LYS A 968 -5.225 1.350 -11.766 1.00 0.00 N ATOM 0 H LYS A 968 -1.088 4.995 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.476 6.514 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.808 4.561 -13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.112 4.298 -13.714 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.894 3.039 -11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.618 3.230 -11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -2.641 2.031 -13.889 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.661 1.024 -12.455 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -5.082 2.591 -13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.805 0.889 -13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -6.032 0.710 -11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -4.514 0.882 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -5.552 2.220 -11.299 1.00 0.00 H new ATOM 400 N GLU A 969 -4.460 6.656 -11.125 1.00 0.00 N ATOM 401 CA GLU A 969 -5.490 6.918 -10.120 1.00 0.00 C ATOM 402 C GLU A 969 -6.294 5.661 -9.793 1.00 0.00 C ATOM 403 O GLU A 969 -6.726 4.934 -10.689 1.00 0.00 O ATOM 404 CB GLU A 969 -6.441 8.004 -10.639 1.00 0.00 C ATOM 405 CG GLU A 969 -7.461 8.368 -9.556 1.00 0.00 C ATOM 406 CD GLU A 969 -8.375 9.479 -10.056 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.352 9.745 -11.248 1.00 0.00 O ATOM 408 OE2 GLU A 969 -9.088 10.044 -9.244 1.00 0.00 O ATOM 0 H GLU A 969 -4.564 7.194 -11.985 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.993 7.249 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.873 8.889 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.957 7.651 -11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -8.052 7.491 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -6.945 8.690 -8.651 1.00 0.00 H new ATOM 415 N MET A 970 -6.520 5.429 -8.494 1.00 0.00 N ATOM 416 CA MET A 970 -7.305 4.278 -8.034 1.00 0.00 C ATOM 417 C MET A 970 -8.336 4.731 -7.004 1.00 0.00 C ATOM 418 O MET A 970 -8.497 5.924 -6.753 1.00 0.00 O ATOM 419 CB MET A 970 -6.412 3.211 -7.381 1.00 0.00 C ATOM 420 CG MET A 970 -5.117 3.029 -8.172 1.00 0.00 C ATOM 421 SD MET A 970 -4.379 1.427 -7.744 1.00 0.00 S ATOM 422 CE MET A 970 -4.485 1.582 -5.939 1.00 0.00 C ATOM 0 H MET A 970 -6.170 6.024 -7.743 1.00 0.00 H new ATOM 0 HA MET A 970 -7.794 3.848 -8.908 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.180 3.502 -6.357 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.948 2.263 -7.329 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.320 3.075 -9.242 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.421 3.836 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 970 -3.797 0.878 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.220 2.598 -5.645 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.502 1.364 -5.614 1.00 0.00 H new ATOM 432 N THR A 971 -9.012 3.759 -6.398 1.00 0.00 N ATOM 433 CA THR A 971 -10.017 4.037 -5.373 1.00 0.00 C ATOM 434 C THR A 971 -9.605 3.393 -4.054 1.00 0.00 C ATOM 435 O THR A 971 -8.792 2.471 -4.032 1.00 0.00 O ATOM 436 CB THR A 971 -11.372 3.478 -5.808 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.249 2.088 -6.072 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.849 4.203 -7.065 1.00 0.00 C ATOM 0 H THR A 971 -8.882 2.768 -6.599 1.00 0.00 H new ATOM 0 HA THR A 971 -10.096 5.116 -5.240 1.00 0.00 H new ATOM 0 HB THR A 971 -12.099 3.630 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 971 -11.693 1.580 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.815 3.802 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.948 5.268 -6.855 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.124 4.057 -7.866 1.00 0.00 H new ATOM 446 N VAL A 972 -10.179 3.873 -2.958 1.00 0.00 N ATOM 447 CA VAL A 972 -9.867 3.317 -1.650 1.00 0.00 C ATOM 448 C VAL A 972 -10.294 1.858 -1.599 1.00 0.00 C ATOM 449 O VAL A 972 -9.581 1.013 -1.072 1.00 0.00 O ATOM 450 CB VAL A 972 -10.593 4.100 -0.543 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.582 3.290 0.775 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.888 5.448 -0.326 1.00 0.00 C ATOM 0 H VAL A 972 -10.855 4.637 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.792 3.393 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.626 4.271 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.098 3.853 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.088 2.337 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.552 3.109 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.401 6.005 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.853 5.274 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.909 6.023 -1.252 1.00 0.00 H new ATOM 462 N GLN A 973 -11.475 1.581 -2.126 1.00 0.00 N ATOM 463 CA GLN A 973 -12.009 0.231 -2.112 1.00 0.00 C ATOM 464 C GLN A 973 -10.995 -0.781 -2.638 1.00 0.00 C ATOM 465 O GLN A 973 -10.766 -1.813 -2.013 1.00 0.00 O ATOM 466 CB GLN A 973 -13.271 0.194 -2.971 1.00 0.00 C ATOM 467 CG GLN A 973 -14.404 0.916 -2.241 1.00 0.00 C ATOM 468 CD GLN A 973 -15.652 0.951 -3.117 1.00 0.00 C ATOM 469 OE1 GLN A 973 -15.685 0.329 -4.178 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.684 1.651 -2.733 1.00 0.00 N ATOM 0 H GLN A 973 -12.081 2.272 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.240 -0.041 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.083 0.669 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.555 -0.838 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -14.624 0.409 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.097 1.932 -1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -16.652 2.165 -1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -17.522 1.684 -3.313 1.00 0.00 H new ATOM 479 N GLN A 974 -10.393 -0.488 -3.781 1.00 0.00 N ATOM 480 CA GLN A 974 -9.409 -1.396 -4.362 1.00 0.00 C ATOM 481 C GLN A 974 -8.275 -1.647 -3.366 1.00 0.00 C ATOM 482 O GLN A 974 -7.903 -2.793 -3.109 1.00 0.00 O ATOM 483 CB GLN A 974 -8.856 -0.784 -5.659 1.00 0.00 C ATOM 484 CG GLN A 974 -9.789 -1.092 -6.838 1.00 0.00 C ATOM 485 CD GLN A 974 -11.244 -0.788 -6.482 1.00 0.00 C ATOM 486 OE1 GLN A 974 -11.785 -1.347 -5.529 1.00 0.00 O ATOM 487 NE2 GLN A 974 -11.917 0.063 -7.208 1.00 0.00 N ATOM 0 H GLN A 974 -10.564 0.360 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 974 -9.884 -2.350 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.750 0.295 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -7.861 -1.182 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.492 -0.501 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.691 -2.141 -7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.468 0.526 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -12.892 0.265 -6.985 1.00 0.00 H new ATOM 496 N PHE A 975 -7.751 -0.572 -2.788 1.00 0.00 N ATOM 497 CA PHE A 975 -6.685 -0.679 -1.797 1.00 0.00 C ATOM 498 C PHE A 975 -7.172 -1.458 -0.578 1.00 0.00 C ATOM 499 O PHE A 975 -6.462 -2.304 -0.035 1.00 0.00 O ATOM 500 CB PHE A 975 -6.226 0.728 -1.380 1.00 0.00 C ATOM 501 CG PHE A 975 -5.353 0.653 -0.143 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.056 0.142 -0.232 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.845 1.095 1.093 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.250 0.072 0.911 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.041 1.026 2.235 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.743 0.515 2.144 1.00 0.00 C ATOM 0 H PHE A 975 -8.046 0.384 -2.988 1.00 0.00 H new ATOM 0 HA PHE A 975 -5.843 -1.215 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.673 1.194 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.094 1.357 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.675 -0.199 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.848 1.490 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.248 -0.324 0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.422 1.367 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.121 0.462 3.025 1.00 0.00 H new ATOM 516 N LEU A 976 -8.383 -1.140 -0.151 1.00 0.00 N ATOM 517 CA LEU A 976 -8.986 -1.773 1.007 1.00 0.00 C ATOM 518 C LEU A 976 -9.113 -3.276 0.785 1.00 0.00 C ATOM 519 O LEU A 976 -8.823 -4.079 1.671 1.00 0.00 O ATOM 520 CB LEU A 976 -10.370 -1.157 1.214 1.00 0.00 C ATOM 521 CG LEU A 976 -11.029 -1.718 2.469 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.191 -1.366 3.713 1.00 0.00 C ATOM 523 CD2 LEU A 976 -12.432 -1.117 2.584 1.00 0.00 C ATOM 0 H LEU A 976 -8.973 -0.438 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.363 -1.613 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.282 -0.074 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.997 -1.361 0.346 1.00 0.00 H new ATOM 0 HG LEU A 976 -11.094 -2.804 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.672 -1.772 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -9.193 -1.794 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -10.114 -0.283 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -12.922 -1.506 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.358 -0.032 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -13.016 -1.385 1.704 1.00 0.00 H new ATOM 535 N ASP A 977 -9.541 -3.650 -0.402 1.00 0.00 N ATOM 536 CA ASP A 977 -9.677 -5.058 -0.722 1.00 0.00 C ATOM 537 C ASP A 977 -8.295 -5.707 -0.776 1.00 0.00 C ATOM 538 O ASP A 977 -8.124 -6.866 -0.396 1.00 0.00 O ATOM 539 CB ASP A 977 -10.390 -5.237 -2.064 1.00 0.00 C ATOM 540 CG ASP A 977 -10.521 -6.724 -2.384 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.265 -7.522 -1.498 1.00 0.00 O ATOM 542 OD2 ASP A 977 -10.874 -7.038 -3.508 1.00 0.00 O ATOM 0 H ASP A 977 -9.798 -3.010 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.274 -5.539 0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.377 -4.775 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.832 -4.733 -2.853 1.00 0.00 H new ATOM 547 N LEU A 978 -7.312 -4.946 -1.263 1.00 0.00 N ATOM 548 CA LEU A 978 -5.945 -5.448 -1.382 1.00 0.00 C ATOM 549 C LEU A 978 -5.340 -5.757 -0.015 1.00 0.00 C ATOM 550 O LEU A 978 -4.751 -6.821 0.181 1.00 0.00 O ATOM 551 CB LEU A 978 -5.083 -4.407 -2.110 1.00 0.00 C ATOM 552 CG LEU A 978 -3.621 -4.875 -2.202 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.539 -6.248 -2.886 1.00 0.00 C ATOM 554 CD2 LEU A 978 -2.816 -3.846 -3.009 1.00 0.00 C ATOM 0 H LEU A 978 -7.438 -3.985 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 978 -5.970 -6.377 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.479 -4.237 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.132 -3.455 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.209 -4.964 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.498 -6.564 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.109 -6.977 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.953 -6.179 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.778 -4.170 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.237 -3.759 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -2.861 -2.877 -2.511 1.00 0.00 H new ATOM 566 N LYS A 979 -5.484 -4.829 0.929 1.00 0.00 N ATOM 567 CA LYS A 979 -4.940 -5.035 2.267 1.00 0.00 C ATOM 568 C LYS A 979 -5.720 -6.128 2.978 1.00 0.00 C ATOM 569 O LYS A 979 -5.154 -6.935 3.703 1.00 0.00 O ATOM 570 CB LYS A 979 -4.963 -3.723 3.070 1.00 0.00 C ATOM 571 CG LYS A 979 -6.397 -3.324 3.419 1.00 0.00 C ATOM 572 CD LYS A 979 -6.403 -1.968 4.172 1.00 0.00 C ATOM 573 CE LYS A 979 -6.511 -2.194 5.684 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.804 -2.868 5.992 1.00 0.00 N ATOM 0 H LYS A 979 -5.966 -3.940 0.795 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.900 -5.352 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.381 -3.841 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.491 -2.929 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.993 -3.247 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.857 -4.095 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.491 -1.415 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.239 -1.358 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -5.678 -2.805 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -6.450 -1.242 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -8.359 -2.274 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -8.338 -3.013 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.618 -3.788 6.439 1.00 0.00 H new ATOM 588 N GLU A 980 -7.024 -6.171 2.756 1.00 0.00 N ATOM 589 CA GLU A 980 -7.832 -7.199 3.390 1.00 0.00 C ATOM 590 C GLU A 980 -7.328 -8.578 2.979 1.00 0.00 C ATOM 591 O GLU A 980 -7.082 -9.441 3.820 1.00 0.00 O ATOM 592 CB GLU A 980 -9.297 -7.035 2.983 1.00 0.00 C ATOM 593 CG GLU A 980 -10.150 -8.071 3.719 1.00 0.00 C ATOM 594 CD GLU A 980 -11.626 -7.849 3.400 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.907 -7.070 2.504 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.453 -8.465 4.053 1.00 0.00 O ATOM 0 H GLU A 980 -7.535 -5.523 2.157 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.753 -7.099 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.641 -6.029 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.402 -7.161 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.852 -9.077 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.985 -7.993 4.794 1.00 0.00 H new ATOM 603 N ARG A 981 -7.164 -8.774 1.674 1.00 0.00 N ATOM 604 CA ARG A 981 -6.686 -10.052 1.158 1.00 0.00 C ATOM 605 C ARG A 981 -5.266 -10.354 1.643 1.00 0.00 C ATOM 606 O ARG A 981 -4.978 -11.467 2.082 1.00 0.00 O ATOM 607 CB ARG A 981 -6.694 -10.019 -0.373 1.00 0.00 C ATOM 608 CG ARG A 981 -8.134 -10.050 -0.888 1.00 0.00 C ATOM 609 CD ARG A 981 -8.124 -9.938 -2.414 1.00 0.00 C ATOM 610 NE ARG A 981 -9.482 -10.002 -2.940 1.00 0.00 N ATOM 611 CZ ARG A 981 -9.733 -9.748 -4.219 1.00 0.00 C ATOM 612 NH1 ARG A 981 -8.757 -9.435 -5.026 1.00 0.00 N ATOM 613 NH2 ARG A 981 -10.956 -9.815 -4.670 1.00 0.00 N ATOM 0 H ARG A 981 -7.353 -8.071 0.960 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.350 -10.834 1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.191 -9.120 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.140 -10.871 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.623 -10.975 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.706 -9.229 -0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -7.656 -9.000 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -7.525 -10.743 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.251 -10.246 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -7.801 -9.385 -4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -8.950 -9.240 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -11.719 -10.062 -4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.149 -9.620 -5.652 1.00 0.00 H new ATOM 627 N ALA A 982 -4.379 -9.369 1.551 1.00 0.00 N ATOM 628 CA ALA A 982 -2.993 -9.566 1.968 1.00 0.00 C ATOM 629 C ALA A 982 -2.907 -9.907 3.446 1.00 0.00 C ATOM 630 O ALA A 982 -2.247 -10.869 3.838 1.00 0.00 O ATOM 631 CB ALA A 982 -2.174 -8.292 1.685 1.00 0.00 C ATOM 0 H ALA A 982 -4.590 -8.436 1.196 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.585 -10.401 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.141 -8.446 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.200 -8.072 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.600 -7.455 2.238 1.00 0.00 H new ATOM 637 N LEU A 983 -3.559 -9.100 4.265 1.00 0.00 N ATOM 638 CA LEU A 983 -3.523 -9.320 5.692 1.00 0.00 C ATOM 639 C LEU A 983 -4.265 -10.607 6.061 1.00 0.00 C ATOM 640 O LEU A 983 -4.021 -11.189 7.119 1.00 0.00 O ATOM 641 CB LEU A 983 -4.117 -8.109 6.431 1.00 0.00 C ATOM 642 CG LEU A 983 -3.057 -7.000 6.589 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.324 -6.739 5.263 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.742 -5.714 7.059 1.00 0.00 C ATOM 0 H LEU A 983 -4.112 -8.297 3.967 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.484 -9.435 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.975 -7.724 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.480 -8.416 7.412 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.321 -7.325 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.583 -5.952 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.826 -7.652 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.043 -6.427 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.998 -4.926 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.485 -5.408 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.231 -5.892 8.017 1.00 0.00 H new ATOM 656 N SER A 984 -5.163 -11.054 5.184 1.00 0.00 N ATOM 657 CA SER A 984 -5.916 -12.282 5.443 1.00 0.00 C ATOM 658 C SER A 984 -5.065 -13.509 5.119 1.00 0.00 C ATOM 659 O SER A 984 -5.489 -14.644 5.341 1.00 0.00 O ATOM 660 CB SER A 984 -7.194 -12.309 4.602 1.00 0.00 C ATOM 661 OG SER A 984 -6.849 -12.345 3.225 1.00 0.00 O ATOM 0 H SER A 984 -5.385 -10.594 4.301 1.00 0.00 H new ATOM 0 HA SER A 984 -6.182 -12.303 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.795 -13.181 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.801 -11.429 4.814 1.00 0.00 H new ATOM 0 HG SER A 984 -5.888 -12.179 3.124 1.00 0.00 H new ATOM 667 N GLY A 985 -3.855 -13.274 4.608 1.00 0.00 N ATOM 668 CA GLY A 985 -2.937 -14.365 4.273 1.00 0.00 C ATOM 669 C GLY A 985 -3.016 -14.748 2.796 1.00 0.00 C ATOM 670 O GLY A 985 -2.769 -15.898 2.433 1.00 0.00 O ATOM 0 H GLY A 985 -3.489 -12.341 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.917 -14.068 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -3.170 -15.236 4.886 1.00 0.00 H new ATOM 674 N ALA A 986 -3.351 -13.784 1.946 1.00 0.00 N ATOM 675 CA ALA A 986 -3.448 -14.045 0.513 1.00 0.00 C ATOM 676 C ALA A 986 -2.077 -14.287 -0.091 1.00 0.00 C ATOM 677 O ALA A 986 -1.077 -13.738 0.374 1.00 0.00 O ATOM 678 CB ALA A 986 -4.086 -12.861 -0.200 1.00 0.00 C ATOM 0 H ALA A 986 -3.558 -12.823 2.219 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.063 -14.935 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.151 -13.071 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.086 -12.692 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.478 -11.970 -0.042 1.00 0.00 H new ATOM 684 N SER A 987 -2.038 -15.106 -1.142 1.00 0.00 N ATOM 685 CA SER A 987 -0.784 -15.417 -1.825 1.00 0.00 C ATOM 686 C SER A 987 -0.787 -14.832 -3.234 1.00 0.00 C ATOM 687 O SER A 987 0.192 -14.956 -3.968 1.00 0.00 O ATOM 688 CB SER A 987 -0.588 -16.931 -1.894 1.00 0.00 C ATOM 689 OG SER A 987 -1.601 -17.498 -2.714 1.00 0.00 O ATOM 0 H SER A 987 -2.859 -15.565 -1.538 1.00 0.00 H new ATOM 0 HA SER A 987 0.038 -14.974 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 987 0.397 -17.164 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.631 -17.361 -0.893 1.00 0.00 H new ATOM 0 HG SER A 987 -1.478 -18.469 -2.762 1.00 0.00 H new ATOM 695 N ASP A 988 -1.888 -14.182 -3.601 1.00 0.00 N ATOM 696 CA ASP A 988 -1.989 -13.570 -4.921 1.00 0.00 C ATOM 697 C ASP A 988 -0.758 -12.697 -5.161 1.00 0.00 C ATOM 698 O ASP A 988 -0.186 -12.175 -4.210 1.00 0.00 O ATOM 699 CB ASP A 988 -3.261 -12.714 -5.001 1.00 0.00 C ATOM 700 CG ASP A 988 -4.481 -13.607 -5.199 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.560 -14.250 -6.233 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.319 -13.635 -4.312 1.00 0.00 O ATOM 0 H ASP A 988 -2.712 -14.067 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.040 -14.347 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.373 -12.129 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.181 -12.006 -5.826 1.00 0.00 H new ATOM 707 N PRO A 989 -0.331 -12.528 -6.390 1.00 0.00 N ATOM 708 CA PRO A 989 0.874 -11.701 -6.696 1.00 0.00 C ATOM 709 C PRO A 989 0.717 -10.273 -6.182 1.00 0.00 C ATOM 710 O PRO A 989 1.687 -9.634 -5.774 1.00 0.00 O ATOM 711 CB PRO A 989 0.983 -11.751 -8.235 1.00 0.00 C ATOM 712 CG PRO A 989 -0.366 -12.196 -8.714 1.00 0.00 C ATOM 713 CD PRO A 989 -0.936 -13.084 -7.608 1.00 0.00 C ATOM 0 HA PRO A 989 1.774 -12.076 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.242 -10.774 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.761 -12.445 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.015 -11.341 -8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.285 -12.745 -9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.025 -13.038 -7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.665 -14.130 -7.751 1.00 0.00 H new ATOM 721 N ASP A 990 -0.514 -9.791 -6.182 1.00 0.00 N ATOM 722 CA ASP A 990 -0.798 -8.453 -5.690 1.00 0.00 C ATOM 723 C ASP A 990 -0.625 -8.404 -4.174 1.00 0.00 C ATOM 724 O ASP A 990 -0.235 -7.380 -3.614 1.00 0.00 O ATOM 725 CB ASP A 990 -2.231 -8.057 -6.057 1.00 0.00 C ATOM 726 CG ASP A 990 -2.338 -7.811 -7.557 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.306 -7.667 -8.190 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.453 -7.775 -8.052 1.00 0.00 O ATOM 0 H ASP A 990 -1.330 -10.304 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.101 -7.753 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.922 -8.846 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.519 -7.158 -5.512 1.00 0.00 H new ATOM 733 N SER A 991 -0.933 -9.518 -3.519 1.00 0.00 N ATOM 734 CA SER A 991 -0.829 -9.602 -2.067 1.00 0.00 C ATOM 735 C SER A 991 0.632 -9.604 -1.616 1.00 0.00 C ATOM 736 O SER A 991 1.027 -8.797 -0.771 1.00 0.00 O ATOM 737 CB SER A 991 -1.531 -10.866 -1.578 1.00 0.00 C ATOM 738 OG SER A 991 -2.915 -10.773 -1.884 1.00 0.00 O ATOM 0 H SER A 991 -1.256 -10.374 -3.970 1.00 0.00 H new ATOM 0 HA SER A 991 -1.311 -8.725 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.098 -11.746 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.390 -10.984 -0.504 1.00 0.00 H new ATOM 0 HG SER A 991 -3.331 -10.092 -1.315 1.00 0.00 H new ATOM 744 N GLN A 992 1.433 -10.509 -2.178 1.00 0.00 N ATOM 745 CA GLN A 992 2.842 -10.573 -1.807 1.00 0.00 C ATOM 746 C GLN A 992 3.545 -9.294 -2.242 1.00 0.00 C ATOM 747 O GLN A 992 4.383 -8.756 -1.518 1.00 0.00 O ATOM 748 CB GLN A 992 3.524 -11.804 -2.435 1.00 0.00 C ATOM 749 CG GLN A 992 2.924 -12.100 -3.815 1.00 0.00 C ATOM 750 CD GLN A 992 3.894 -12.942 -4.640 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.997 -12.493 -4.952 1.00 0.00 O ATOM 752 NE2 GLN A 992 3.549 -14.147 -5.005 1.00 0.00 N ATOM 0 H GLN A 992 1.138 -11.192 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 992 2.913 -10.670 -0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.596 -11.627 -2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.399 -12.669 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.977 -12.628 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.709 -11.166 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 992 2.634 -14.516 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.194 -14.719 -5.550 1.00 0.00 H new ATOM 761 N ARG A 993 3.184 -8.795 -3.420 1.00 0.00 N ATOM 762 CA ARG A 993 3.781 -7.565 -3.919 1.00 0.00 C ATOM 763 C ARG A 993 3.437 -6.416 -2.982 1.00 0.00 C ATOM 764 O ARG A 993 4.277 -5.564 -2.703 1.00 0.00 O ATOM 765 CB ARG A 993 3.284 -7.261 -5.338 1.00 0.00 C ATOM 766 CG ARG A 993 3.900 -8.255 -6.342 1.00 0.00 C ATOM 767 CD ARG A 993 5.287 -7.771 -6.793 1.00 0.00 C ATOM 768 NE ARG A 993 5.201 -6.421 -7.335 1.00 0.00 N ATOM 769 CZ ARG A 993 6.296 -5.717 -7.609 1.00 0.00 C ATOM 770 NH1 ARG A 993 7.473 -6.247 -7.424 1.00 0.00 N ATOM 771 NH2 ARG A 993 6.191 -4.500 -8.068 1.00 0.00 N ATOM 0 H ARG A 993 2.491 -9.217 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 993 4.864 -7.687 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.196 -7.326 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.552 -6.241 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 993 3.983 -9.240 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.246 -8.360 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.977 -7.788 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.688 -8.448 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 993 4.284 -6.008 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 993 7.553 -7.200 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 993 8.313 -5.708 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 993 5.269 -4.089 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 993 7.030 -3.960 -8.278 1.00 0.00 H new ATOM 785 N TYR A 994 2.209 -6.405 -2.475 1.00 0.00 N ATOM 786 CA TYR A 994 1.805 -5.358 -1.547 1.00 0.00 C ATOM 787 C TYR A 994 2.690 -5.415 -0.308 1.00 0.00 C ATOM 788 O TYR A 994 3.212 -4.391 0.147 1.00 0.00 O ATOM 789 CB TYR A 994 0.336 -5.529 -1.142 1.00 0.00 C ATOM 790 CG TYR A 994 -0.007 -4.497 -0.087 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.083 -3.132 -0.390 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.398 -4.902 1.198 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.217 -2.177 0.588 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.699 -3.945 2.174 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.607 -2.582 1.869 1.00 0.00 C ATOM 796 OH TYR A 994 -0.901 -1.639 2.833 1.00 0.00 O ATOM 0 H TYR A 994 1.489 -7.096 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 994 1.916 -4.391 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.311 -5.409 -2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.166 -6.534 -0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.384 -2.817 -1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.467 -5.954 1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.147 -1.125 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.002 -4.258 3.162 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.638 -1.072 2.522 1.00 0.00 H new ATOM 806 N ASN A 995 2.867 -6.620 0.226 1.00 0.00 N ATOM 807 CA ASN A 995 3.705 -6.797 1.402 1.00 0.00 C ATOM 808 C ASN A 995 5.114 -6.315 1.091 1.00 0.00 C ATOM 809 O ASN A 995 5.753 -5.652 1.910 1.00 0.00 O ATOM 810 CB ASN A 995 3.743 -8.275 1.803 1.00 0.00 C ATOM 811 CG ASN A 995 2.443 -8.669 2.496 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.910 -7.907 3.303 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.897 -9.822 2.228 1.00 0.00 N ATOM 0 H ASN A 995 2.446 -7.477 -0.133 1.00 0.00 H new ATOM 0 HA ASN A 995 3.292 -6.218 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.894 -8.895 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.587 -8.457 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.028 -10.094 2.687 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.339 -10.453 1.559 1.00 0.00 H new ATOM 820 N ALA A 996 5.588 -6.633 -0.110 1.00 0.00 N ATOM 821 CA ALA A 996 6.914 -6.204 -0.523 1.00 0.00 C ATOM 822 C ALA A 996 6.966 -4.690 -0.588 1.00 0.00 C ATOM 823 O ALA A 996 7.911 -4.078 -0.127 1.00 0.00 O ATOM 824 CB ALA A 996 7.250 -6.753 -1.900 1.00 0.00 C ATOM 0 H ALA A 996 5.079 -7.180 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 996 7.633 -6.579 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.246 -6.421 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.224 -7.842 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.521 -6.390 -2.624 1.00 0.00 H new ATOM 830 N TRP A 997 5.941 -4.086 -1.166 1.00 0.00 N ATOM 831 CA TRP A 997 5.915 -2.640 -1.278 1.00 0.00 C ATOM 832 C TRP A 997 6.129 -2.030 0.096 1.00 0.00 C ATOM 833 O TRP A 997 6.904 -1.086 0.253 1.00 0.00 O ATOM 834 CB TRP A 997 4.580 -2.170 -1.860 1.00 0.00 C ATOM 835 CG TRP A 997 4.573 -0.677 -1.938 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.328 0.061 -2.785 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.782 0.272 -1.162 1.00 0.00 C ATOM 838 NE1 TRP A 997 5.057 1.401 -2.573 1.00 0.00 N ATOM 839 CE2 TRP A 997 4.110 1.583 -1.584 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.823 0.124 -0.142 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.508 2.704 -1.012 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.215 1.252 0.432 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.558 2.539 -0.002 1.00 0.00 C ATOM 0 H TRP A 997 5.130 -4.565 -1.558 1.00 0.00 H new ATOM 0 HA TRP A 997 6.711 -2.319 -1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.432 -2.598 -2.851 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.756 -2.517 -1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 997 6.027 -0.332 -3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.503 2.162 -3.085 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.553 -0.864 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.775 3.695 -1.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.479 1.127 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 997 2.088 3.403 0.444 1.00 0.00 H new ATOM 854 N LEU A 998 5.478 -2.605 1.102 1.00 0.00 N ATOM 855 CA LEU A 998 5.654 -2.127 2.463 1.00 0.00 C ATOM 856 C LEU A 998 7.109 -2.337 2.875 1.00 0.00 C ATOM 857 O LEU A 998 7.717 -1.482 3.515 1.00 0.00 O ATOM 858 CB LEU A 998 4.735 -2.887 3.423 1.00 0.00 C ATOM 859 CG LEU A 998 3.270 -2.488 3.184 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.362 -3.442 3.968 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.023 -1.035 3.645 1.00 0.00 C ATOM 0 H LEU A 998 4.834 -3.390 1.001 1.00 0.00 H new ATOM 0 HA LEU A 998 5.399 -1.068 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.855 -3.961 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.015 -2.670 4.454 1.00 0.00 H new ATOM 0 HG LEU A 998 3.048 -2.553 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.320 -3.168 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.526 -4.464 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.594 -3.374 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.981 -0.769 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.244 -0.948 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.669 -0.360 3.084 1.00 0.00 H new ATOM 873 N GLU A 999 7.659 -3.488 2.491 1.00 0.00 N ATOM 874 CA GLU A 999 9.044 -3.815 2.813 1.00 0.00 C ATOM 875 C GLU A 999 9.997 -2.805 2.163 1.00 0.00 C ATOM 876 O GLU A 999 10.897 -2.268 2.817 1.00 0.00 O ATOM 877 CB GLU A 999 9.366 -5.232 2.319 1.00 0.00 C ATOM 878 CG GLU A 999 10.780 -5.617 2.756 1.00 0.00 C ATOM 879 CD GLU A 999 11.084 -7.051 2.338 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.148 -7.762 2.008 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.246 -7.417 2.352 1.00 0.00 O ATOM 0 H GLU A 999 7.168 -4.206 1.959 1.00 0.00 H new ATOM 0 HA GLU A 999 9.176 -3.770 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.644 -5.942 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.285 -5.277 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.505 -4.938 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 999 10.875 -5.517 3.837 1.00 0.00 H new ATOM 888 N LEU A1000 9.781 -2.536 0.880 1.00 0.00 N ATOM 889 CA LEU A1000 10.615 -1.587 0.158 1.00 0.00 C ATOM 890 C LEU A1000 10.509 -0.232 0.834 1.00 0.00 C ATOM 891 O LEU A1000 11.499 0.468 1.017 1.00 0.00 O ATOM 892 CB LEU A1000 10.134 -1.451 -1.293 1.00 0.00 C ATOM 893 CG LEU A1000 10.246 -2.793 -2.032 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.777 -2.611 -3.480 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.691 -3.306 -2.012 1.00 0.00 C ATOM 0 H LEU A1000 9.039 -2.960 0.323 1.00 0.00 H new ATOM 0 HA LEU A1000 11.646 -1.942 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A1000 9.100 -1.108 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.728 -0.696 -1.809 1.00 0.00 H new ATOM 0 HG LEU A1000 9.617 -3.527 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.854 -3.561 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.740 -2.275 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.403 -1.868 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.747 -4.257 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.341 -2.581 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A1000 12.013 -3.445 -0.980 1.00 0.00 H new ATOM 907 N ARG A1001 9.291 0.119 1.210 1.00 0.00 N ATOM 908 CA ARG A1001 9.039 1.384 1.881 1.00 0.00 C ATOM 909 C ARG A1001 9.766 1.457 3.212 1.00 0.00 C ATOM 910 O ARG A1001 10.357 2.481 3.553 1.00 0.00 O ATOM 911 CB ARG A1001 7.537 1.540 2.108 1.00 0.00 C ATOM 912 CG ARG A1001 7.269 2.764 2.978 1.00 0.00 C ATOM 913 CD ARG A1001 5.771 3.068 2.988 1.00 0.00 C ATOM 914 NE ARG A1001 5.486 4.200 3.863 1.00 0.00 N ATOM 915 CZ ARG A1001 5.366 4.033 5.177 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.571 2.856 5.703 1.00 0.00 N ATOM 917 NH2 ARG A1001 5.057 5.045 5.941 1.00 0.00 N ATOM 0 H ARG A1001 8.460 -0.454 1.062 1.00 0.00 H new ATOM 0 HA ARG A1001 9.411 2.191 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A1001 7.024 1.643 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.138 0.647 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.621 2.585 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.822 3.622 2.596 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.432 3.289 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.218 2.191 3.326 1.00 0.00 H new ATOM 0 HE ARG A1001 5.377 5.132 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.822 2.068 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.480 2.725 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.907 5.967 5.531 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.966 4.914 6.948 1.00 0.00 H new ATOM 931 N ALA A1002 9.711 0.381 3.969 1.00 0.00 N ATOM 932 CA ALA A1002 10.364 0.368 5.259 1.00 0.00 C ATOM 933 C ALA A1002 11.827 0.693 5.051 1.00 0.00 C ATOM 934 O ALA A1002 12.457 1.368 5.863 1.00 0.00 O ATOM 935 CB ALA A1002 10.223 -1.004 5.920 1.00 0.00 C ATOM 0 H ALA A1002 9.229 -0.482 3.718 1.00 0.00 H new ATOM 0 HA ALA A1002 9.900 1.106 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.721 -0.994 6.890 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.167 -1.235 6.057 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.681 -1.763 5.285 1.00 0.00 H new ATOM 941 N LYS A1003 12.348 0.215 3.930 1.00 0.00 N ATOM 942 CA LYS A1003 13.737 0.469 3.582 1.00 0.00 C ATOM 943 C LYS A1003 13.921 1.911 3.118 1.00 0.00 C ATOM 944 O LYS A1003 14.922 2.553 3.437 1.00 0.00 O ATOM 945 CB LYS A1003 14.207 -0.502 2.499 1.00 0.00 C ATOM 946 CG LYS A1003 14.183 -1.921 3.064 1.00 0.00 C ATOM 947 CD LYS A1003 14.764 -2.898 2.038 1.00 0.00 C ATOM 948 CE LYS A1003 14.754 -4.312 2.618 1.00 0.00 C ATOM 949 NZ LYS A1003 15.348 -5.259 1.633 1.00 0.00 N ATOM 0 H LYS A1003 11.834 -0.346 3.251 1.00 0.00 H new ATOM 0 HA LYS A1003 14.345 0.313 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.560 -0.433 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A1003 15.214 -0.243 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.760 -1.964 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.161 -2.206 3.313 1.00 0.00 H new ATOM 0 HD2 LYS A1003 14.180 -2.867 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.782 -2.607 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A1003 15.319 -4.338 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A1003 13.733 -4.611 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 15.341 -6.221 2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 14.791 -5.241 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 16.328 -4.977 1.427 1.00 0.00 H new ATOM 963 N ARG A1004 12.946 2.418 2.352 1.00 0.00 N ATOM 964 CA ARG A1004 13.005 3.789 1.833 1.00 0.00 C ATOM 965 C ARG A1004 11.769 4.586 2.247 1.00 0.00 C ATOM 966 O ARG A1004 10.637 4.188 1.980 1.00 0.00 O ATOM 967 CB ARG A1004 13.141 3.757 0.300 1.00 0.00 C ATOM 968 CG ARG A1004 11.797 3.465 -0.378 1.00 0.00 C ATOM 969 CD ARG A1004 12.031 3.235 -1.873 1.00 0.00 C ATOM 970 NE ARG A1004 10.761 2.985 -2.552 1.00 0.00 N ATOM 971 CZ ARG A1004 10.027 3.980 -3.047 1.00 0.00 C ATOM 972 NH1 ARG A1004 10.432 5.215 -2.926 1.00 0.00 N ATOM 973 NH2 ARG A1004 8.901 3.720 -3.650 1.00 0.00 N ATOM 0 H ARG A1004 12.110 1.901 2.079 1.00 0.00 H new ATOM 0 HA ARG A1004 13.877 4.286 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A1004 13.527 4.714 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A1004 13.867 2.996 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.333 2.586 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A1004 11.111 4.299 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A1004 12.520 4.106 -2.310 1.00 0.00 H new ATOM 0 HD3 ARG A1004 12.701 2.388 -2.017 1.00 0.00 H new ATOM 0 HE ARG A1004 10.429 2.025 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A1004 11.312 5.419 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A1004 9.869 5.976 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A1004 8.583 2.755 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A1004 8.338 4.481 -4.029 1.00 0.00 H new ATOM 987 N LEU A1005 12.008 5.721 2.900 1.00 0.00 N ATOM 988 CA LEU A1005 10.924 6.588 3.352 1.00 0.00 C ATOM 989 C LEU A1005 11.493 7.873 3.947 1.00 0.00 C ATOM 990 O LEU A1005 12.703 7.997 4.132 1.00 0.00 O ATOM 991 CB LEU A1005 10.050 5.868 4.392 1.00 0.00 C ATOM 992 CG LEU A1005 10.786 5.731 5.732 1.00 0.00 C ATOM 993 CD1 LEU A1005 9.969 4.826 6.656 1.00 0.00 C ATOM 994 CD2 LEU A1005 12.174 5.116 5.520 1.00 0.00 C ATOM 0 H LEU A1005 12.942 6.061 3.128 1.00 0.00 H new ATOM 0 HA LEU A1005 10.303 6.838 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A1005 9.122 6.421 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A1005 9.777 4.880 4.021 1.00 0.00 H new ATOM 0 HG LEU A1005 10.904 6.719 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A1005 10.483 4.722 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A1005 8.985 5.266 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A1005 9.855 3.844 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A1005 12.682 5.026 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A1005 12.070 4.129 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A1005 12.758 5.756 4.859 1.00 0.00 H new ATOM 1006 N SER A1006 10.618 8.830 4.240 1.00 0.00 N ATOM 1007 CA SER A1006 11.056 10.100 4.808 1.00 0.00 C ATOM 1008 C SER A1006 11.934 10.853 3.812 1.00 0.00 C ATOM 1009 O SER A1006 11.546 11.939 3.410 1.00 0.00 O ATOM 1010 CB SER A1006 11.842 9.851 6.100 1.00 0.00 C ATOM 1011 OG SER A1006 13.226 9.735 5.794 1.00 0.00 O ATOM 0 H SER A1006 9.611 8.752 4.095 1.00 0.00 H new ATOM 0 HA SER A1006 10.176 10.703 5.030 1.00 0.00 H new ATOM 0 HB2 SER A1006 11.680 10.670 6.801 1.00 0.00 H new ATOM 0 HB3 SER A1006 11.488 8.941 6.585 1.00 0.00 H new ATOM 0 HG SER A1006 13.366 8.971 5.196 1.00 0.00 H new TER 1017 SER A1006