USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 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 19:sc= -3.55! USER MOD Set 1.2: A 974 GLN : amide:sc= -6.85! C(o=-10!,f=-12!) USER MOD Single : A 947 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -0.409! K(o=-0.41!,f=-1.8) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -178:sc= -0.891 (180deg=-0.963) USER MOD Single : A 973 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.18) USER MOD Single : A 979 LYS NZ :NH3+ -135:sc= -3.1! (180deg=-4.48!) USER MOD Single : A 984 SER OG : rot 23:sc= 0.794! USER MOD Single : A 987 SER OG : rot 10:sc= 0.68! USER MOD Single : A 991 SER OG : rot 136:sc= -0.484! USER MOD Single : A 992 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN : amide:sc= -0.034 K(o=-0.034,f=-1.5!) USER MOD Single : A1003 LYS NZ :NH3+ -114:sc= -0.878 (180deg=-1.01) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -23.924 15.898 3.131 1.00 0.00 N ATOM 2 CA GLY A 945 -22.731 16.322 3.916 1.00 0.00 C ATOM 3 C GLY A 945 -22.901 15.907 5.373 1.00 0.00 C ATOM 4 O GLY A 945 -23.898 16.239 6.013 1.00 0.00 O ATOM 0 HA2 GLY A 945 -21.831 15.868 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -22.604 17.402 3.848 1.00 0.00 H new ATOM 7 N ALA A 946 -21.916 15.178 5.890 1.00 0.00 N ATOM 8 CA ALA A 946 -21.949 14.717 7.276 1.00 0.00 C ATOM 9 C ALA A 946 -20.526 14.511 7.782 1.00 0.00 C ATOM 10 O ALA A 946 -19.569 14.972 7.162 1.00 0.00 O ATOM 11 CB ALA A 946 -22.713 13.395 7.373 1.00 0.00 C ATOM 0 H ALA A 946 -21.085 14.894 5.371 1.00 0.00 H new ATOM 0 HA ALA A 946 -22.451 15.469 7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -22.731 13.061 8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -23.734 13.538 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -22.218 12.643 6.758 1.00 0.00 H new ATOM 17 N MET A 947 -20.389 13.808 8.902 1.00 0.00 N ATOM 18 CA MET A 947 -19.069 13.540 9.457 1.00 0.00 C ATOM 19 C MET A 947 -18.300 12.635 8.500 1.00 0.00 C ATOM 20 O MET A 947 -17.117 12.849 8.230 1.00 0.00 O ATOM 21 CB MET A 947 -19.205 12.874 10.827 1.00 0.00 C ATOM 22 CG MET A 947 -20.105 13.734 11.714 1.00 0.00 C ATOM 23 SD MET A 947 -19.345 15.356 11.971 1.00 0.00 S ATOM 24 CE MET A 947 -18.325 14.922 13.401 1.00 0.00 C ATOM 0 H MET A 947 -21.166 13.418 9.437 1.00 0.00 H new ATOM 0 HA MET A 947 -18.525 14.476 9.582 1.00 0.00 H new ATOM 0 HB2 MET A 947 -19.627 11.875 10.719 1.00 0.00 H new ATOM 0 HB3 MET A 947 -18.224 12.757 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 947 -21.084 13.851 11.249 1.00 0.00 H new ATOM 0 HG3 MET A 947 -20.264 13.241 12.673 1.00 0.00 H new ATOM 0 HE1 MET A 947 -17.763 15.797 13.726 1.00 0.00 H new ATOM 0 HE2 MET A 947 -18.965 14.579 14.214 1.00 0.00 H new ATOM 0 HE3 MET A 947 -17.632 14.127 13.126 1.00 0.00 H new ATOM 34 N ALA A 948 -19.010 11.643 7.966 1.00 0.00 N ATOM 35 CA ALA A 948 -18.439 10.702 7.008 1.00 0.00 C ATOM 36 C ALA A 948 -17.035 10.261 7.421 1.00 0.00 C ATOM 37 O ALA A 948 -16.556 10.596 8.501 1.00 0.00 O ATOM 38 CB ALA A 948 -18.390 11.340 5.620 1.00 0.00 C ATOM 0 H ALA A 948 -19.991 11.470 8.184 1.00 0.00 H new ATOM 0 HA ALA A 948 -19.077 9.819 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -17.963 10.633 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -19.399 11.605 5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -17.773 12.238 5.654 1.00 0.00 H new ATOM 44 N ILE A 949 -16.386 9.489 6.550 1.00 0.00 N ATOM 45 CA ILE A 949 -15.036 8.991 6.822 1.00 0.00 C ATOM 46 C ILE A 949 -14.141 9.138 5.596 1.00 0.00 C ATOM 47 O ILE A 949 -14.611 9.084 4.459 1.00 0.00 O ATOM 48 CB ILE A 949 -15.093 7.527 7.265 1.00 0.00 C ATOM 49 CG1 ILE A 949 -15.783 6.674 6.189 1.00 0.00 C ATOM 50 CG2 ILE A 949 -15.882 7.433 8.572 1.00 0.00 C ATOM 51 CD1 ILE A 949 -15.638 5.188 6.534 1.00 0.00 C ATOM 0 H ILE A 949 -16.771 9.195 5.652 1.00 0.00 H new ATOM 0 HA ILE A 949 -14.608 9.589 7.627 1.00 0.00 H new ATOM 0 HB ILE A 949 -14.079 7.155 7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -16.838 6.940 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -15.341 6.875 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -15.928 6.393 8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -15.388 8.030 9.339 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -16.893 7.809 8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -16.129 4.587 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -14.581 4.926 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -16.101 4.992 7.501 1.00 0.00 H new ATOM 63 N ALA A 950 -12.848 9.330 5.842 1.00 0.00 N ATOM 64 CA ALA A 950 -11.877 9.490 4.762 1.00 0.00 C ATOM 65 C ALA A 950 -10.506 8.991 5.202 1.00 0.00 C ATOM 66 O ALA A 950 -9.487 9.621 4.927 1.00 0.00 O ATOM 67 CB ALA A 950 -11.788 10.964 4.359 1.00 0.00 C ATOM 0 H ALA A 950 -12.448 9.379 6.779 1.00 0.00 H new ATOM 0 HA ALA A 950 -12.205 8.901 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -11.063 11.078 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -12.765 11.308 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -11.473 11.557 5.217 1.00 0.00 H new ATOM 73 N LEU A 951 -10.491 7.850 5.889 1.00 0.00 N ATOM 74 CA LEU A 951 -9.240 7.272 6.370 1.00 0.00 C ATOM 75 C LEU A 951 -8.483 8.285 7.230 1.00 0.00 C ATOM 76 O LEU A 951 -8.680 9.493 7.110 1.00 0.00 O ATOM 77 CB LEU A 951 -8.366 6.848 5.169 1.00 0.00 C ATOM 78 CG LEU A 951 -8.540 5.353 4.857 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.013 5.036 4.582 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.708 5.016 3.618 1.00 0.00 C ATOM 0 H LEU A 951 -11.325 7.312 6.123 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.468 6.397 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -8.635 7.439 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.319 7.058 5.386 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.209 4.761 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.122 3.974 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.609 5.288 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.358 5.620 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.820 3.958 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.052 5.614 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.658 5.235 3.814 1.00 0.00 H new ATOM 92 N ARG A 952 -7.610 7.786 8.091 1.00 0.00 N ATOM 93 CA ARG A 952 -6.832 8.662 8.955 1.00 0.00 C ATOM 94 C ARG A 952 -5.793 9.421 8.135 1.00 0.00 C ATOM 95 O ARG A 952 -5.627 9.164 6.943 1.00 0.00 O ATOM 96 CB ARG A 952 -6.129 7.841 10.036 1.00 0.00 C ATOM 97 CG ARG A 952 -7.174 7.217 10.962 1.00 0.00 C ATOM 98 CD ARG A 952 -6.481 6.303 11.973 1.00 0.00 C ATOM 99 NE ARG A 952 -5.979 5.106 11.311 1.00 0.00 N ATOM 100 CZ ARG A 952 -5.279 4.196 11.977 1.00 0.00 C ATOM 101 NH1 ARG A 952 -4.999 4.381 13.240 1.00 0.00 N ATOM 102 NH2 ARG A 952 -4.866 3.114 11.375 1.00 0.00 N ATOM 0 H ARG A 952 -7.423 6.790 8.210 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.507 9.376 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.521 7.061 9.578 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.453 8.476 10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.727 7.999 11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.898 6.648 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -5.658 6.835 12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -7.181 6.025 12.761 1.00 0.00 H new ATOM 0 HE ARG A 952 -6.169 4.965 10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.318 5.225 13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -4.461 3.681 13.751 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -5.081 2.965 10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -4.328 2.417 11.891 1.00 0.00 H new ATOM 116 N ASP A 953 -5.101 10.354 8.778 1.00 0.00 N ATOM 117 CA ASP A 953 -4.085 11.139 8.087 1.00 0.00 C ATOM 118 C ASP A 953 -2.979 10.224 7.572 1.00 0.00 C ATOM 119 O ASP A 953 -2.535 10.349 6.432 1.00 0.00 O ATOM 120 CB ASP A 953 -3.491 12.171 9.046 1.00 0.00 C ATOM 121 CG ASP A 953 -4.509 13.271 9.325 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.476 13.359 8.587 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.312 14.005 10.281 1.00 0.00 O ATOM 0 H ASP A 953 -5.222 10.584 9.764 1.00 0.00 H new ATOM 0 HA ASP A 953 -4.546 11.651 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.201 11.688 9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -2.587 12.602 8.615 1.00 0.00 H new ATOM 128 N ASP A 954 -2.547 9.302 8.425 1.00 0.00 N ATOM 129 CA ASP A 954 -1.498 8.359 8.057 1.00 0.00 C ATOM 130 C ASP A 954 -1.992 7.389 6.994 1.00 0.00 C ATOM 131 O ASP A 954 -1.276 7.068 6.043 1.00 0.00 O ATOM 132 CB ASP A 954 -1.053 7.573 9.292 1.00 0.00 C ATOM 133 CG ASP A 954 -0.298 8.486 10.251 1.00 0.00 C ATOM 134 OD1 ASP A 954 0.054 9.583 9.844 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.095 8.084 11.386 1.00 0.00 O ATOM 0 H ASP A 954 -2.906 9.188 9.373 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.656 8.922 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -1.922 7.145 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.416 6.741 8.993 1.00 0.00 H new ATOM 140 N GLU A 955 -3.214 6.906 7.176 1.00 0.00 N ATOM 141 CA GLU A 955 -3.800 5.951 6.247 1.00 0.00 C ATOM 142 C GLU A 955 -4.037 6.586 4.881 1.00 0.00 C ATOM 143 O GLU A 955 -3.780 5.967 3.847 1.00 0.00 O ATOM 144 CB GLU A 955 -5.127 5.454 6.811 1.00 0.00 C ATOM 145 CG GLU A 955 -4.872 4.673 8.102 1.00 0.00 C ATOM 146 CD GLU A 955 -4.120 3.381 7.799 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.166 2.945 6.661 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.513 2.843 8.711 1.00 0.00 O ATOM 0 H GLU A 955 -3.818 7.160 7.958 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.106 5.120 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.789 6.297 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.629 4.818 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.295 5.283 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.819 4.444 8.590 1.00 0.00 H new ATOM 155 N TYR A 956 -4.538 7.817 4.885 1.00 0.00 N ATOM 156 CA TYR A 956 -4.815 8.525 3.640 1.00 0.00 C ATOM 157 C TYR A 956 -3.532 8.689 2.833 1.00 0.00 C ATOM 158 O TYR A 956 -3.512 8.479 1.618 1.00 0.00 O ATOM 159 CB TYR A 956 -5.396 9.907 3.948 1.00 0.00 C ATOM 160 CG TYR A 956 -5.605 10.671 2.664 1.00 0.00 C ATOM 161 CD1 TYR A 956 -4.559 11.440 2.132 1.00 0.00 C ATOM 162 CD2 TYR A 956 -6.842 10.622 2.004 1.00 0.00 C ATOM 163 CE1 TYR A 956 -4.747 12.151 0.943 1.00 0.00 C ATOM 164 CE2 TYR A 956 -7.025 11.336 0.813 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.978 12.098 0.284 1.00 0.00 C ATOM 166 OH TYR A 956 -6.164 12.801 -0.891 1.00 0.00 O ATOM 0 H TYR A 956 -4.759 8.342 5.731 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.534 7.946 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.342 9.804 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.721 10.457 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -3.608 11.483 2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -7.651 10.035 2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -3.941 12.741 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -7.976 11.298 0.302 1.00 0.00 H new ATOM 0 HH TYR A 956 -7.076 12.655 -1.219 1.00 0.00 H new ATOM 176 N ASP A 957 -2.463 9.062 3.525 1.00 0.00 N ATOM 177 CA ASP A 957 -1.173 9.255 2.874 1.00 0.00 C ATOM 178 C ASP A 957 -0.671 7.927 2.312 1.00 0.00 C ATOM 179 O ASP A 957 -0.083 7.881 1.231 1.00 0.00 O ATOM 180 CB ASP A 957 -0.154 9.814 3.886 1.00 0.00 C ATOM 181 CG ASP A 957 -0.261 11.338 3.986 1.00 0.00 C ATOM 182 OD1 ASP A 957 -1.025 11.918 3.233 1.00 0.00 O ATOM 183 OD2 ASP A 957 0.425 11.900 4.822 1.00 0.00 O ATOM 0 H ASP A 957 -2.463 9.236 4.530 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.290 9.966 2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.327 9.369 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 957 0.855 9.536 3.583 1.00 0.00 H new ATOM 188 N GLU A 958 -0.921 6.850 3.048 1.00 0.00 N ATOM 189 CA GLU A 958 -0.497 5.527 2.611 1.00 0.00 C ATOM 190 C GLU A 958 -1.257 5.123 1.351 1.00 0.00 C ATOM 191 O GLU A 958 -0.684 4.551 0.423 1.00 0.00 O ATOM 192 CB GLU A 958 -0.750 4.502 3.723 1.00 0.00 C ATOM 193 CG GLU A 958 -0.258 3.125 3.272 1.00 0.00 C ATOM 194 CD GLU A 958 -0.412 2.116 4.405 1.00 0.00 C ATOM 195 OE1 GLU A 958 -0.559 2.546 5.537 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.388 0.929 4.122 1.00 0.00 O ATOM 0 H GLU A 958 -1.411 6.867 3.942 1.00 0.00 H new ATOM 0 HA GLU A 958 0.570 5.555 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.233 4.804 4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.813 4.460 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -0.825 2.795 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.787 3.185 2.968 1.00 0.00 H new ATOM 203 N TRP A 959 -2.549 5.434 1.318 1.00 0.00 N ATOM 204 CA TRP A 959 -3.373 5.108 0.162 1.00 0.00 C ATOM 205 C TRP A 959 -2.864 5.862 -1.069 1.00 0.00 C ATOM 206 O TRP A 959 -2.710 5.284 -2.136 1.00 0.00 O ATOM 207 CB TRP A 959 -4.841 5.459 0.463 1.00 0.00 C ATOM 208 CG TRP A 959 -5.656 5.469 -0.787 1.00 0.00 C ATOM 209 CD1 TRP A 959 -5.831 4.415 -1.610 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.428 6.569 -1.357 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.662 4.789 -2.651 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.058 6.111 -2.537 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.637 7.896 -0.963 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -7.865 6.946 -3.305 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.454 8.740 -1.728 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.067 8.270 -2.897 1.00 0.00 C ATOM 0 H TRP A 959 -3.044 5.908 2.073 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.310 4.040 -0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.255 4.735 1.165 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -4.894 6.436 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.393 3.437 -1.478 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -6.947 4.168 -3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.167 8.271 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.331 6.576 -4.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.612 9.761 -1.414 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.694 8.927 -3.482 1.00 0.00 H new ATOM 227 N GLN A 960 -2.586 7.145 -0.922 1.00 0.00 N ATOM 228 CA GLN A 960 -2.085 7.924 -2.051 1.00 0.00 C ATOM 229 C GLN A 960 -0.717 7.420 -2.498 1.00 0.00 C ATOM 230 O GLN A 960 -0.414 7.391 -3.692 1.00 0.00 O ATOM 231 CB GLN A 960 -1.991 9.405 -1.668 1.00 0.00 C ATOM 232 CG GLN A 960 -3.394 10.010 -1.565 1.00 0.00 C ATOM 233 CD GLN A 960 -4.049 10.051 -2.943 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.546 10.712 -3.852 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.139 9.368 -3.159 1.00 0.00 N ATOM 0 H GLN A 960 -2.694 7.666 -0.052 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.784 7.808 -2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.470 9.511 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.407 9.945 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.004 9.420 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.335 11.017 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.555 8.821 -2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.575 9.381 -4.081 1.00 0.00 H new ATOM 244 N ASP A 961 0.107 7.040 -1.535 1.00 0.00 N ATOM 245 CA ASP A 961 1.448 6.552 -1.834 1.00 0.00 C ATOM 246 C ASP A 961 1.394 5.239 -2.609 1.00 0.00 C ATOM 247 O ASP A 961 2.207 4.999 -3.505 1.00 0.00 O ATOM 248 CB ASP A 961 2.220 6.333 -0.530 1.00 0.00 C ATOM 249 CG ASP A 961 3.694 6.082 -0.835 1.00 0.00 C ATOM 250 OD1 ASP A 961 4.000 5.833 -1.990 1.00 0.00 O ATOM 251 OD2 ASP A 961 4.489 6.128 0.088 1.00 0.00 O ATOM 0 H ASP A 961 -0.126 7.059 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 961 1.952 7.299 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 961 2.117 7.206 0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 961 1.802 5.485 0.012 1.00 0.00 H new ATOM 256 N ILE A 962 0.435 4.384 -2.260 1.00 0.00 N ATOM 257 CA ILE A 962 0.309 3.103 -2.930 1.00 0.00 C ATOM 258 C ILE A 962 -0.152 3.346 -4.369 1.00 0.00 C ATOM 259 O ILE A 962 0.320 2.709 -5.311 1.00 0.00 O ATOM 260 CB ILE A 962 -0.664 2.196 -2.123 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.134 0.762 -2.066 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.049 2.161 -2.752 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.160 0.214 -3.468 1.00 0.00 C ATOM 0 H ILE A 962 -0.254 4.556 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 962 1.265 2.581 -2.976 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.733 2.619 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 962 0.775 0.733 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.865 0.123 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.701 1.518 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.462 3.169 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -1.978 1.771 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 962 0.535 -0.806 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -0.755 0.219 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 962 0.910 0.839 -3.953 1.00 0.00 H new ATOM 275 N ILE A 963 -1.070 4.293 -4.522 1.00 0.00 N ATOM 276 CA ILE A 963 -1.571 4.640 -5.840 1.00 0.00 C ATOM 277 C ILE A 963 -0.414 5.117 -6.705 1.00 0.00 C ATOM 278 O ILE A 963 -0.295 4.730 -7.868 1.00 0.00 O ATOM 279 CB ILE A 963 -2.615 5.755 -5.728 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.871 5.208 -5.055 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.972 6.274 -7.121 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.836 6.353 -4.707 1.00 0.00 C ATOM 0 H ILE A 963 -1.478 4.828 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.034 3.762 -6.291 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.205 6.572 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.365 4.496 -5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.599 4.666 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.715 7.067 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.077 6.667 -7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.379 5.459 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.726 5.946 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.345 7.049 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.122 6.877 -5.619 1.00 0.00 H new ATOM 294 N ARG A 964 0.443 5.946 -6.127 1.00 0.00 N ATOM 295 CA ARG A 964 1.595 6.446 -6.857 1.00 0.00 C ATOM 296 C ARG A 964 2.459 5.265 -7.285 1.00 0.00 C ATOM 297 O ARG A 964 2.999 5.242 -8.390 1.00 0.00 O ATOM 298 CB ARG A 964 2.405 7.402 -5.978 1.00 0.00 C ATOM 299 CG ARG A 964 3.398 8.175 -6.847 1.00 0.00 C ATOM 300 CD ARG A 964 4.144 9.190 -5.982 1.00 0.00 C ATOM 301 NE ARG A 964 3.217 10.205 -5.497 1.00 0.00 N ATOM 302 CZ ARG A 964 3.603 11.116 -4.609 1.00 0.00 C ATOM 303 NH1 ARG A 964 4.826 11.090 -4.151 1.00 0.00 N ATOM 304 NH2 ARG A 964 2.767 12.027 -4.189 1.00 0.00 N ATOM 0 H ARG A 964 0.364 6.282 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 964 1.260 6.993 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.738 8.095 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.937 6.843 -5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.105 7.487 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 964 2.872 8.685 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.617 8.685 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.940 9.659 -6.561 1.00 0.00 H new ATOM 0 HE ARG A 964 2.258 10.216 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.477 10.374 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 964 5.130 11.785 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 964 1.810 12.043 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 964 3.071 12.723 -3.508 1.00 0.00 H new ATOM 318 N ASP A 965 2.573 4.278 -6.401 1.00 0.00 N ATOM 319 CA ASP A 965 3.368 3.095 -6.705 1.00 0.00 C ATOM 320 C ASP A 965 2.841 2.405 -7.961 1.00 0.00 C ATOM 321 O ASP A 965 3.621 2.031 -8.836 1.00 0.00 O ATOM 322 CB ASP A 965 3.346 2.112 -5.534 1.00 0.00 C ATOM 323 CG ASP A 965 4.403 1.034 -5.746 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.546 1.391 -5.976 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.049 -0.131 -5.696 1.00 0.00 O ATOM 0 H ASP A 965 2.132 4.273 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 965 4.395 3.416 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.535 2.641 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.360 1.656 -5.449 1.00 0.00 H new ATOM 330 N TRP A 966 1.519 2.249 -8.062 1.00 0.00 N ATOM 331 CA TRP A 966 0.947 1.611 -9.246 1.00 0.00 C ATOM 332 C TRP A 966 1.008 2.578 -10.428 1.00 0.00 C ATOM 333 O TRP A 966 0.627 2.241 -11.549 1.00 0.00 O ATOM 334 CB TRP A 966 -0.522 1.218 -9.033 1.00 0.00 C ATOM 335 CG TRP A 966 -0.717 0.342 -7.831 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.587 0.620 -6.834 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.096 -0.941 -7.487 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.537 -0.388 -5.896 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.630 -1.373 -6.245 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.873 -1.759 -8.108 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.225 -2.567 -5.648 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.276 -2.963 -7.506 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.731 -3.363 -6.279 1.00 0.00 C ATOM 0 H TRP A 966 0.842 2.547 -7.359 1.00 0.00 H new ATOM 0 HA TRP A 966 1.529 0.710 -9.440 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.123 2.120 -8.921 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.887 0.699 -9.919 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.220 1.493 -6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -2.101 -0.406 -5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.307 -1.458 -9.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.649 -2.873 -4.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.012 -3.585 -7.993 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.051 -4.288 -5.822 1.00 0.00 H new ATOM 354 N ARG A 967 1.500 3.781 -10.163 1.00 0.00 N ATOM 355 CA ARG A 967 1.627 4.806 -11.196 1.00 0.00 C ATOM 356 C ARG A 967 0.310 5.035 -11.942 1.00 0.00 C ATOM 357 O ARG A 967 0.312 5.410 -13.115 1.00 0.00 O ATOM 358 CB ARG A 967 2.716 4.415 -12.195 1.00 0.00 C ATOM 359 CG ARG A 967 4.076 4.411 -11.492 1.00 0.00 C ATOM 360 CD ARG A 967 5.164 4.044 -12.502 1.00 0.00 C ATOM 361 NE ARG A 967 6.464 3.952 -11.845 1.00 0.00 N ATOM 362 CZ ARG A 967 7.234 5.025 -11.673 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.818 6.200 -12.066 1.00 0.00 N ATOM 364 NH2 ARG A 967 8.403 4.895 -11.109 1.00 0.00 N ATOM 0 H ARG A 967 1.819 4.074 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 967 1.897 5.736 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.506 3.429 -12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.728 5.116 -13.029 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.279 5.392 -11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 967 4.071 3.696 -10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.922 3.093 -12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.202 4.794 -13.292 1.00 0.00 H new ATOM 0 HE ARG A 967 6.790 3.045 -11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.902 6.296 -12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.409 7.021 -11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.722 3.976 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 967 8.998 5.712 -10.974 1.00 0.00 H new ATOM 378 N LYS A 968 -0.818 4.842 -11.255 1.00 0.00 N ATOM 379 CA LYS A 968 -2.132 5.068 -11.870 1.00 0.00 C ATOM 380 C LYS A 968 -3.110 5.597 -10.829 1.00 0.00 C ATOM 381 O LYS A 968 -2.706 6.290 -9.899 1.00 0.00 O ATOM 382 CB LYS A 968 -2.673 3.785 -12.526 1.00 0.00 C ATOM 383 CG LYS A 968 -2.930 2.701 -11.475 1.00 0.00 C ATOM 384 CD LYS A 968 -3.519 1.463 -12.159 1.00 0.00 C ATOM 385 CE LYS A 968 -3.911 0.433 -11.098 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.570 -0.737 -11.742 1.00 0.00 N ATOM 0 H LYS A 968 -0.851 4.533 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.017 5.813 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.597 4.006 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.959 3.420 -13.264 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.001 2.443 -10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.617 3.072 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.391 1.741 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.791 1.033 -12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -3.026 0.107 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.585 0.886 -10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.833 -1.432 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -5.424 -0.421 -12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -3.914 -1.176 -12.418 1.00 0.00 H new ATOM 400 N GLU A 969 -4.398 5.289 -10.992 1.00 0.00 N ATOM 401 CA GLU A 969 -5.418 5.760 -10.052 1.00 0.00 C ATOM 402 C GLU A 969 -6.405 4.644 -9.699 1.00 0.00 C ATOM 403 O GLU A 969 -6.810 3.858 -10.556 1.00 0.00 O ATOM 404 CB GLU A 969 -6.173 6.935 -10.670 1.00 0.00 C ATOM 405 CG GLU A 969 -6.752 6.525 -12.025 1.00 0.00 C ATOM 406 CD GLU A 969 -7.527 7.687 -12.631 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.109 8.445 -11.871 1.00 0.00 O ATOM 408 OE2 GLU A 969 -7.526 7.808 -13.844 1.00 0.00 O ATOM 0 H GLU A 969 -4.758 4.721 -11.759 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.920 6.076 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -6.974 7.255 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.502 7.785 -10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -5.949 6.223 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.408 5.663 -11.904 1.00 0.00 H new ATOM 415 N MET A 970 -6.813 4.603 -8.430 1.00 0.00 N ATOM 416 CA MET A 970 -7.782 3.608 -7.966 1.00 0.00 C ATOM 417 C MET A 970 -8.516 4.155 -6.744 1.00 0.00 C ATOM 418 O MET A 970 -8.209 5.251 -6.272 1.00 0.00 O ATOM 419 CB MET A 970 -7.097 2.279 -7.629 1.00 0.00 C ATOM 420 CG MET A 970 -5.831 2.526 -6.823 1.00 0.00 C ATOM 421 SD MET A 970 -5.042 0.935 -6.474 1.00 0.00 S ATOM 422 CE MET A 970 -4.404 1.339 -4.831 1.00 0.00 C ATOM 0 H MET A 970 -6.489 5.245 -7.707 1.00 0.00 H new ATOM 0 HA MET A 970 -8.496 3.414 -8.766 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.779 1.644 -7.063 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.853 1.745 -8.547 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.150 3.171 -7.378 1.00 0.00 H new ATOM 0 HG3 MET A 970 -6.070 3.041 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 970 -3.842 0.491 -4.440 1.00 0.00 H new ATOM 0 HE2 MET A 970 -3.749 2.208 -4.898 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.236 1.562 -4.163 1.00 0.00 H new ATOM 432 N THR A 971 -9.503 3.417 -6.240 1.00 0.00 N ATOM 433 CA THR A 971 -10.272 3.886 -5.081 1.00 0.00 C ATOM 434 C THR A 971 -9.746 3.319 -3.763 1.00 0.00 C ATOM 435 O THR A 971 -9.029 2.319 -3.733 1.00 0.00 O ATOM 436 CB THR A 971 -11.741 3.486 -5.234 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.833 2.093 -5.485 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.361 4.249 -6.404 1.00 0.00 C ATOM 0 H THR A 971 -9.788 2.508 -6.605 1.00 0.00 H new ATOM 0 HA THR A 971 -10.167 4.971 -5.050 1.00 0.00 H new ATOM 0 HB THR A 971 -12.275 3.728 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 971 -11.001 1.655 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.407 3.963 -6.511 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.295 5.321 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.823 4.009 -7.321 1.00 0.00 H new ATOM 446 N VAL A 972 -10.151 3.964 -2.671 1.00 0.00 N ATOM 447 CA VAL A 972 -9.782 3.544 -1.323 1.00 0.00 C ATOM 448 C VAL A 972 -10.357 2.156 -1.026 1.00 0.00 C ATOM 449 O VAL A 972 -9.698 1.305 -0.438 1.00 0.00 O ATOM 450 CB VAL A 972 -10.334 4.572 -0.319 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.349 3.990 1.104 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.450 5.824 -0.348 1.00 0.00 C ATOM 0 H VAL A 972 -10.745 4.793 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.697 3.490 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.356 4.826 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -10.743 4.733 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -10.981 3.102 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.334 3.721 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -9.835 6.557 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.430 5.555 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.456 6.251 -1.351 1.00 0.00 H new ATOM 462 N GLN A 973 -11.602 1.947 -1.424 1.00 0.00 N ATOM 463 CA GLN A 973 -12.267 0.674 -1.182 1.00 0.00 C ATOM 464 C GLN A 973 -11.443 -0.476 -1.763 1.00 0.00 C ATOM 465 O GLN A 973 -11.289 -1.525 -1.135 1.00 0.00 O ATOM 466 CB GLN A 973 -13.658 0.696 -1.823 1.00 0.00 C ATOM 467 CG GLN A 973 -14.527 -0.410 -1.221 1.00 0.00 C ATOM 468 CD GLN A 973 -14.916 -0.045 0.207 1.00 0.00 C ATOM 469 OE1 GLN A 973 -14.741 -0.848 1.125 1.00 0.00 O ATOM 470 NE2 GLN A 973 -15.426 1.129 0.454 1.00 0.00 N ATOM 0 H GLN A 973 -12.171 2.638 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.364 0.522 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.127 1.667 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.573 0.558 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.422 -0.551 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -13.985 -1.356 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.570 1.793 -0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -15.681 1.384 1.408 1.00 0.00 H new ATOM 479 N GLN A 974 -10.905 -0.264 -2.958 1.00 0.00 N ATOM 480 CA GLN A 974 -10.090 -1.283 -3.605 1.00 0.00 C ATOM 481 C GLN A 974 -8.841 -1.563 -2.766 1.00 0.00 C ATOM 482 O GLN A 974 -8.426 -2.711 -2.618 1.00 0.00 O ATOM 483 CB GLN A 974 -9.690 -0.797 -5.006 1.00 0.00 C ATOM 484 CG GLN A 974 -10.785 -1.135 -6.029 1.00 0.00 C ATOM 485 CD GLN A 974 -12.167 -0.720 -5.524 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.596 -1.130 -4.447 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.892 0.072 -6.264 1.00 0.00 N ATOM 0 H GLN A 974 -11.017 0.596 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.663 -2.206 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.521 0.280 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.750 -1.263 -5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.573 -0.630 -6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.777 -2.206 -6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -12.531 0.409 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.820 0.355 -5.950 1.00 0.00 H new ATOM 496 N PHE A 975 -8.259 -0.508 -2.207 1.00 0.00 N ATOM 497 CA PHE A 975 -7.070 -0.660 -1.374 1.00 0.00 C ATOM 498 C PHE A 975 -7.390 -1.550 -0.174 1.00 0.00 C ATOM 499 O PHE A 975 -6.628 -2.456 0.164 1.00 0.00 O ATOM 500 CB PHE A 975 -6.584 0.709 -0.885 1.00 0.00 C ATOM 501 CG PHE A 975 -5.459 0.529 0.113 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.218 0.035 -0.310 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.662 0.851 1.462 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.181 -0.133 0.613 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.621 0.681 2.384 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.383 0.190 1.960 1.00 0.00 C ATOM 0 H PHE A 975 -8.586 0.452 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.282 -1.122 -1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.241 1.306 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.408 1.254 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.062 -0.216 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.619 1.229 1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.224 -0.512 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.775 0.930 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.582 0.060 2.672 1.00 0.00 H new ATOM 516 N LEU A 976 -8.535 -1.293 0.454 1.00 0.00 N ATOM 517 CA LEU A 976 -8.954 -2.080 1.610 1.00 0.00 C ATOM 518 C LEU A 976 -9.142 -3.539 1.198 1.00 0.00 C ATOM 519 O LEU A 976 -8.806 -4.454 1.945 1.00 0.00 O ATOM 520 CB LEU A 976 -10.274 -1.530 2.194 1.00 0.00 C ATOM 521 CG LEU A 976 -10.013 -0.362 3.164 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.662 0.904 2.380 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.276 -0.103 3.991 1.00 0.00 C ATOM 0 H LEU A 976 -9.184 -0.553 0.185 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.181 -2.013 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.921 -1.195 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.804 -2.327 2.716 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.181 -0.621 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -9.479 1.724 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.766 0.727 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -10.490 1.165 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.097 0.723 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -12.101 0.152 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -11.530 -0.999 4.557 1.00 0.00 H new ATOM 535 N ASP A 977 -9.678 -3.765 0.014 1.00 0.00 N ATOM 536 CA ASP A 977 -9.869 -5.129 -0.445 1.00 0.00 C ATOM 537 C ASP A 977 -8.510 -5.806 -0.629 1.00 0.00 C ATOM 538 O ASP A 977 -8.349 -6.996 -0.354 1.00 0.00 O ATOM 539 CB ASP A 977 -10.629 -5.129 -1.772 1.00 0.00 C ATOM 540 CG ASP A 977 -11.140 -6.533 -2.084 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.333 -7.362 -2.470 1.00 0.00 O ATOM 542 OD2 ASP A 977 -12.328 -6.758 -1.925 1.00 0.00 O ATOM 0 H ASP A 977 -9.983 -3.040 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.447 -5.678 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.466 -4.432 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.976 -4.785 -2.574 1.00 0.00 H new ATOM 547 N LEU A 978 -7.537 -5.038 -1.115 1.00 0.00 N ATOM 548 CA LEU A 978 -6.201 -5.574 -1.354 1.00 0.00 C ATOM 549 C LEU A 978 -5.499 -5.979 -0.057 1.00 0.00 C ATOM 550 O LEU A 978 -4.933 -7.069 0.032 1.00 0.00 O ATOM 551 CB LEU A 978 -5.364 -4.535 -2.115 1.00 0.00 C ATOM 552 CG LEU A 978 -3.900 -4.985 -2.232 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.821 -6.370 -2.875 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.139 -3.979 -3.101 1.00 0.00 C ATOM 0 H LEU A 978 -7.648 -4.051 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.304 -6.478 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.782 -4.384 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.413 -3.576 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.458 -5.033 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.778 -6.677 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.366 -7.088 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.263 -6.335 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.098 -4.290 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.592 -3.938 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.185 -2.992 -2.640 1.00 0.00 H new ATOM 566 N LYS A 979 -5.527 -5.111 0.951 1.00 0.00 N ATOM 567 CA LYS A 979 -4.880 -5.429 2.214 1.00 0.00 C ATOM 568 C LYS A 979 -5.621 -6.584 2.879 1.00 0.00 C ATOM 569 O LYS A 979 -5.018 -7.528 3.359 1.00 0.00 O ATOM 570 CB LYS A 979 -4.848 -4.179 3.116 1.00 0.00 C ATOM 571 CG LYS A 979 -6.191 -3.974 3.812 1.00 0.00 C ATOM 572 CD LYS A 979 -6.185 -2.642 4.555 1.00 0.00 C ATOM 573 CE LYS A 979 -7.382 -2.585 5.509 1.00 0.00 C ATOM 574 NZ LYS A 979 -8.626 -2.933 4.763 1.00 0.00 N ATOM 0 H LYS A 979 -5.983 -4.199 0.917 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.849 -5.737 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.060 -4.284 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.606 -3.300 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.998 -3.989 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.379 -4.790 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.256 -2.529 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.233 -1.817 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -7.235 -3.279 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.470 -1.588 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -9.380 -2.261 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -8.443 -2.884 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -8.924 -3.897 5.016 1.00 0.00 H new ATOM 588 N GLU A 980 -6.940 -6.515 2.888 1.00 0.00 N ATOM 589 CA GLU A 980 -7.719 -7.581 3.497 1.00 0.00 C ATOM 590 C GLU A 980 -7.314 -8.923 2.888 1.00 0.00 C ATOM 591 O GLU A 980 -7.082 -9.899 3.605 1.00 0.00 O ATOM 592 CB GLU A 980 -9.213 -7.338 3.269 1.00 0.00 C ATOM 593 CG GLU A 980 -10.027 -8.377 4.042 1.00 0.00 C ATOM 594 CD GLU A 980 -11.516 -8.121 3.846 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.924 -7.961 2.707 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.228 -8.087 4.837 1.00 0.00 O ATOM 0 H GLU A 980 -7.486 -5.751 2.490 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.524 -7.596 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.482 -6.334 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.443 -7.399 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.773 -9.380 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.778 -8.331 5.102 1.00 0.00 H new ATOM 603 N ARG A 981 -7.208 -8.960 1.564 1.00 0.00 N ATOM 604 CA ARG A 981 -6.822 -10.187 0.872 1.00 0.00 C ATOM 605 C ARG A 981 -5.406 -10.626 1.258 1.00 0.00 C ATOM 606 O ARG A 981 -5.179 -11.796 1.567 1.00 0.00 O ATOM 607 CB ARG A 981 -6.881 -9.963 -0.644 1.00 0.00 C ATOM 608 CG ARG A 981 -8.348 -9.858 -1.120 1.00 0.00 C ATOM 609 CD ARG A 981 -8.898 -11.242 -1.498 1.00 0.00 C ATOM 610 NE ARG A 981 -9.030 -12.090 -0.317 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.107 -12.028 0.461 1.00 0.00 C ATOM 612 NH1 ARG A 981 -11.035 -11.142 0.224 1.00 0.00 N ATOM 613 NH2 ARG A 981 -10.227 -12.841 1.473 1.00 0.00 N ATOM 0 H ARG A 981 -7.382 -8.163 0.952 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.519 -10.971 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.342 -9.052 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.384 -10.785 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.961 -9.421 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.410 -9.190 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -9.868 -11.132 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.233 -11.717 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 981 -8.282 -12.743 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -10.935 -10.496 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -11.860 -11.096 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -9.495 -13.524 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.053 -12.794 2.070 1.00 0.00 H new ATOM 627 N ALA A 982 -4.459 -9.690 1.244 1.00 0.00 N ATOM 628 CA ALA A 982 -3.075 -10.012 1.593 1.00 0.00 C ATOM 629 C ALA A 982 -2.960 -10.435 3.038 1.00 0.00 C ATOM 630 O ALA A 982 -2.313 -11.433 3.361 1.00 0.00 O ATOM 631 CB ALA A 982 -2.179 -8.797 1.392 1.00 0.00 C ATOM 0 H ALA A 982 -4.620 -8.713 0.998 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.763 -10.830 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.153 -9.054 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.218 -8.485 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.524 -7.981 2.028 1.00 0.00 H new ATOM 637 N LEU A 983 -3.576 -9.662 3.910 1.00 0.00 N ATOM 638 CA LEU A 983 -3.527 -9.958 5.316 1.00 0.00 C ATOM 639 C LEU A 983 -4.208 -11.298 5.576 1.00 0.00 C ATOM 640 O LEU A 983 -3.896 -11.997 6.541 1.00 0.00 O ATOM 641 CB LEU A 983 -4.185 -8.822 6.133 1.00 0.00 C ATOM 642 CG LEU A 983 -3.140 -7.738 6.467 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.470 -7.205 5.198 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.822 -6.588 7.209 1.00 0.00 C ATOM 0 H LEU A 983 -4.112 -8.830 3.665 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.488 -10.029 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -5.007 -8.384 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.611 -9.224 7.052 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.370 -8.184 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.739 -6.442 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.969 -8.023 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.225 -6.770 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.085 -5.820 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.602 -6.160 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.266 -6.963 8.131 1.00 0.00 H new ATOM 656 N SER A 984 -5.134 -11.659 4.691 1.00 0.00 N ATOM 657 CA SER A 984 -5.846 -12.925 4.820 1.00 0.00 C ATOM 658 C SER A 984 -4.967 -14.068 4.313 1.00 0.00 C ATOM 659 O SER A 984 -5.367 -15.231 4.345 1.00 0.00 O ATOM 660 CB SER A 984 -7.148 -12.887 4.020 1.00 0.00 C ATOM 661 OG SER A 984 -7.501 -14.211 3.640 1.00 0.00 O ATOM 0 H SER A 984 -5.406 -11.098 3.884 1.00 0.00 H new ATOM 0 HA SER A 984 -6.082 -13.087 5.872 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.944 -12.443 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.027 -12.262 3.135 1.00 0.00 H new ATOM 0 HG SER A 984 -7.080 -14.850 4.252 1.00 0.00 H new ATOM 667 N GLY A 985 -3.760 -13.722 3.866 1.00 0.00 N ATOM 668 CA GLY A 985 -2.808 -14.719 3.374 1.00 0.00 C ATOM 669 C GLY A 985 -2.960 -14.979 1.876 1.00 0.00 C ATOM 670 O GLY A 985 -2.678 -16.082 1.407 1.00 0.00 O ATOM 0 H GLY A 985 -3.418 -12.761 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.793 -14.381 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.950 -15.653 3.918 1.00 0.00 H new ATOM 674 N ALA A 986 -3.406 -13.976 1.128 1.00 0.00 N ATOM 675 CA ALA A 986 -3.572 -14.148 -0.314 1.00 0.00 C ATOM 676 C ALA A 986 -2.223 -14.292 -0.992 1.00 0.00 C ATOM 677 O ALA A 986 -1.242 -13.671 -0.580 1.00 0.00 O ATOM 678 CB ALA A 986 -4.296 -12.950 -0.919 1.00 0.00 C ATOM 0 H ALA A 986 -3.655 -13.053 1.484 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.162 -15.051 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.409 -13.098 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.280 -12.850 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.717 -12.045 -0.737 1.00 0.00 H new ATOM 684 N SER A 987 -2.177 -15.107 -2.043 1.00 0.00 N ATOM 685 CA SER A 987 -0.937 -15.325 -2.779 1.00 0.00 C ATOM 686 C SER A 987 -0.924 -14.503 -4.063 1.00 0.00 C ATOM 687 O SER A 987 0.079 -14.459 -4.772 1.00 0.00 O ATOM 688 CB SER A 987 -0.775 -16.808 -3.112 1.00 0.00 C ATOM 689 OG SER A 987 0.145 -16.951 -4.187 1.00 0.00 O ATOM 0 H SER A 987 -2.980 -15.624 -2.402 1.00 0.00 H new ATOM 0 HA SER A 987 -0.105 -15.007 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 987 -0.418 -17.352 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 987 -1.739 -17.239 -3.383 1.00 0.00 H new ATOM 0 HG SER A 987 0.576 -16.089 -4.366 1.00 0.00 H new ATOM 695 N ASP A 988 -2.042 -13.843 -4.349 1.00 0.00 N ATOM 696 CA ASP A 988 -2.150 -13.012 -5.546 1.00 0.00 C ATOM 697 C ASP A 988 -0.867 -12.200 -5.736 1.00 0.00 C ATOM 698 O ASP A 988 -0.196 -11.878 -4.757 1.00 0.00 O ATOM 699 CB ASP A 988 -3.346 -12.067 -5.403 1.00 0.00 C ATOM 700 CG ASP A 988 -4.646 -12.855 -5.517 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.672 -13.808 -6.279 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.595 -12.496 -4.841 1.00 0.00 O ATOM 0 H ASP A 988 -2.883 -13.866 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.295 -13.652 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.304 -11.556 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.308 -11.298 -6.175 1.00 0.00 H new ATOM 707 N PRO A 989 -0.505 -11.857 -6.950 1.00 0.00 N ATOM 708 CA PRO A 989 0.733 -11.057 -7.196 1.00 0.00 C ATOM 709 C PRO A 989 0.660 -9.718 -6.475 1.00 0.00 C ATOM 710 O PRO A 989 1.672 -9.157 -6.059 1.00 0.00 O ATOM 711 CB PRO A 989 0.753 -10.875 -8.729 1.00 0.00 C ATOM 712 CG PRO A 989 -0.654 -11.130 -9.172 1.00 0.00 C ATOM 713 CD PRO A 989 -1.209 -12.176 -8.209 1.00 0.00 C ATOM 0 HA PRO A 989 1.637 -11.540 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.076 -9.870 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.447 -11.572 -9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.246 -10.215 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.681 -11.491 -10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.291 -12.095 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.998 -13.191 -8.546 1.00 0.00 H new ATOM 721 N ASP A 990 -0.556 -9.224 -6.323 1.00 0.00 N ATOM 722 CA ASP A 990 -0.774 -7.963 -5.636 1.00 0.00 C ATOM 723 C ASP A 990 -0.545 -8.137 -4.140 1.00 0.00 C ATOM 724 O ASP A 990 -0.185 -7.192 -3.444 1.00 0.00 O ATOM 725 CB ASP A 990 -2.198 -7.463 -5.888 1.00 0.00 C ATOM 726 CG ASP A 990 -2.477 -7.399 -7.387 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.524 -7.331 -8.144 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.639 -7.414 -7.753 1.00 0.00 O ATOM 0 H ASP A 990 -1.405 -9.675 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.068 -7.228 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.915 -8.127 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.329 -6.476 -5.444 1.00 0.00 H new ATOM 733 N SER A 991 -0.760 -9.356 -3.652 1.00 0.00 N ATOM 734 CA SER A 991 -0.583 -9.643 -2.231 1.00 0.00 C ATOM 735 C SER A 991 0.894 -9.627 -1.854 1.00 0.00 C ATOM 736 O SER A 991 1.309 -8.914 -0.938 1.00 0.00 O ATOM 737 CB SER A 991 -1.160 -11.022 -1.919 1.00 0.00 C ATOM 738 OG SER A 991 -0.207 -12.017 -2.273 1.00 0.00 O ATOM 0 H SER A 991 -1.055 -10.155 -4.214 1.00 0.00 H new ATOM 0 HA SER A 991 -1.101 -8.875 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.405 -11.096 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 991 -2.087 -11.176 -2.472 1.00 0.00 H new ATOM 0 HG SER A 991 -0.161 -12.693 -1.565 1.00 0.00 H new ATOM 744 N GLN A 992 1.683 -10.413 -2.574 1.00 0.00 N ATOM 745 CA GLN A 992 3.114 -10.487 -2.311 1.00 0.00 C ATOM 746 C GLN A 992 3.774 -9.139 -2.598 1.00 0.00 C ATOM 747 O GLN A 992 4.617 -8.676 -1.826 1.00 0.00 O ATOM 748 CB GLN A 992 3.752 -11.607 -3.163 1.00 0.00 C ATOM 749 CG GLN A 992 2.896 -11.867 -4.407 1.00 0.00 C ATOM 750 CD GLN A 992 3.684 -12.680 -5.426 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.332 -13.824 -5.715 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.736 -12.157 -5.991 1.00 0.00 N ATOM 0 H GLN A 992 1.360 -11.005 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 992 3.271 -10.725 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.761 -11.321 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.839 -12.520 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.988 -12.402 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.585 -10.920 -4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 992 5.026 -11.209 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 992 5.269 -12.696 -6.674 1.00 0.00 H new ATOM 761 N ARG A 993 3.373 -8.510 -3.695 1.00 0.00 N ATOM 762 CA ARG A 993 3.919 -7.211 -4.055 1.00 0.00 C ATOM 763 C ARG A 993 3.526 -6.176 -3.007 1.00 0.00 C ATOM 764 O ARG A 993 4.318 -5.306 -2.661 1.00 0.00 O ATOM 765 CB ARG A 993 3.416 -6.787 -5.438 1.00 0.00 C ATOM 766 CG ARG A 993 4.106 -7.644 -6.502 1.00 0.00 C ATOM 767 CD ARG A 993 3.523 -7.321 -7.878 1.00 0.00 C ATOM 768 NE ARG A 993 4.183 -8.113 -8.911 1.00 0.00 N ATOM 769 CZ ARG A 993 3.630 -8.269 -10.110 1.00 0.00 C ATOM 770 NH1 ARG A 993 2.486 -7.706 -10.384 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.229 -8.985 -11.022 1.00 0.00 N ATOM 0 H ARG A 993 2.677 -8.876 -4.345 1.00 0.00 H new ATOM 0 HA ARG A 993 5.006 -7.282 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.335 -6.909 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.628 -5.732 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 993 5.179 -7.454 -6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.969 -8.702 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 993 2.452 -7.525 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 993 3.646 -6.259 -8.091 1.00 0.00 H new ATOM 0 HE ARG A 993 5.081 -8.553 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 993 2.012 -7.144 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 993 2.065 -7.828 -11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 993 5.125 -9.427 -10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 993 3.801 -9.102 -11.941 1.00 0.00 H new ATOM 785 N TYR A 994 2.302 -6.280 -2.496 1.00 0.00 N ATOM 786 CA TYR A 994 1.833 -5.352 -1.470 1.00 0.00 C ATOM 787 C TYR A 994 2.708 -5.463 -0.224 1.00 0.00 C ATOM 788 O TYR A 994 3.111 -4.452 0.360 1.00 0.00 O ATOM 789 CB TYR A 994 0.371 -5.654 -1.122 1.00 0.00 C ATOM 790 CG TYR A 994 -0.054 -4.862 0.097 1.00 0.00 C ATOM 791 CD1 TYR A 994 -0.009 -3.464 0.073 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.493 -5.529 1.252 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.409 -2.731 1.198 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.890 -4.793 2.375 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.846 -3.395 2.349 1.00 0.00 C ATOM 796 OH TYR A 994 -1.237 -2.673 3.458 1.00 0.00 O ATOM 0 H TYR A 994 1.623 -6.989 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 994 1.900 -4.334 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.270 -5.405 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.248 -6.720 -0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.334 -2.950 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.524 -6.608 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.380 -1.652 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.231 -5.305 3.263 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.513 -3.289 4.169 1.00 0.00 H new ATOM 806 N ASN A 995 2.995 -6.693 0.187 1.00 0.00 N ATOM 807 CA ASN A 995 3.823 -6.908 1.366 1.00 0.00 C ATOM 808 C ASN A 995 5.199 -6.303 1.134 1.00 0.00 C ATOM 809 O ASN A 995 5.762 -5.627 2.002 1.00 0.00 O ATOM 810 CB ASN A 995 3.954 -8.407 1.638 1.00 0.00 C ATOM 811 CG ASN A 995 2.603 -8.971 2.065 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.779 -8.250 2.630 1.00 0.00 O ATOM 813 ND2 ASN A 995 2.312 -10.219 1.814 1.00 0.00 N ATOM 0 H ASN A 995 2.672 -7.545 -0.271 1.00 0.00 H new ATOM 0 HA ASN A 995 3.359 -6.430 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.307 -8.920 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.695 -8.582 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.404 -10.595 2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.993 -10.817 1.346 1.00 0.00 H new ATOM 820 N ALA A 996 5.732 -6.523 -0.058 1.00 0.00 N ATOM 821 CA ALA A 996 7.029 -5.965 -0.386 1.00 0.00 C ATOM 822 C ALA A 996 6.934 -4.453 -0.388 1.00 0.00 C ATOM 823 O ALA A 996 7.800 -3.765 0.130 1.00 0.00 O ATOM 824 CB ALA A 996 7.483 -6.422 -1.762 1.00 0.00 C ATOM 0 H ALA A 996 5.296 -7.072 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 996 7.749 -6.306 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.459 -5.990 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.555 -7.509 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.761 -6.095 -2.511 1.00 0.00 H new ATOM 830 N TRP A 997 5.859 -3.943 -0.966 1.00 0.00 N ATOM 831 CA TRP A 997 5.665 -2.510 -1.035 1.00 0.00 C ATOM 832 C TRP A 997 5.790 -1.926 0.361 1.00 0.00 C ATOM 833 O TRP A 997 6.422 -0.886 0.548 1.00 0.00 O ATOM 834 CB TRP A 997 4.287 -2.187 -1.617 1.00 0.00 C ATOM 835 CG TRP A 997 4.129 -0.707 -1.749 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.634 0.040 -2.755 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.420 0.214 -0.868 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.285 1.364 -2.547 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.532 1.520 -1.400 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.696 0.045 0.326 1.00 0.00 C ATOM 841 CZ2 TRP A 997 2.949 2.623 -0.769 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.110 1.151 0.966 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.233 2.435 0.418 1.00 0.00 C ATOM 0 H TRP A 997 5.115 -4.497 -1.390 1.00 0.00 H new ATOM 0 HA TRP A 997 6.423 -2.073 -1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.173 -2.663 -2.591 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.506 -2.589 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.215 -0.334 -3.585 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.552 2.130 -3.165 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.590 -0.941 0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.050 3.611 -1.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.562 1.010 1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.775 3.279 0.912 1.00 0.00 H new ATOM 854 N LEU A 998 5.220 -2.620 1.345 1.00 0.00 N ATOM 855 CA LEU A 998 5.327 -2.162 2.722 1.00 0.00 C ATOM 856 C LEU A 998 6.793 -2.165 3.118 1.00 0.00 C ATOM 857 O LEU A 998 7.272 -1.231 3.754 1.00 0.00 O ATOM 858 CB LEU A 998 4.527 -3.073 3.663 1.00 0.00 C ATOM 859 CG LEU A 998 3.023 -2.776 3.543 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.237 -3.920 4.193 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.666 -1.450 4.245 1.00 0.00 C ATOM 0 H LEU A 998 4.691 -3.483 1.216 1.00 0.00 H new ATOM 0 HA LEU A 998 4.917 -1.155 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.719 -4.118 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.854 -2.921 4.692 1.00 0.00 H new ATOM 0 HG LEU A 998 2.765 -2.688 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.169 -3.719 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.469 -4.856 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.514 -4.000 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.597 -1.262 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.927 -1.516 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.222 -0.633 3.784 1.00 0.00 H new ATOM 873 N GLU A 999 7.502 -3.225 2.721 1.00 0.00 N ATOM 874 CA GLU A 999 8.928 -3.343 3.027 1.00 0.00 C ATOM 875 C GLU A 999 9.705 -2.190 2.386 1.00 0.00 C ATOM 876 O GLU A 999 10.547 -1.549 3.029 1.00 0.00 O ATOM 877 CB GLU A 999 9.457 -4.688 2.505 1.00 0.00 C ATOM 878 CG GLU A 999 10.936 -4.840 2.867 1.00 0.00 C ATOM 879 CD GLU A 999 11.432 -6.215 2.431 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.599 -7.061 2.155 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.638 -6.403 2.388 1.00 0.00 O ATOM 0 H GLU A 999 7.115 -4.007 2.192 1.00 0.00 H new ATOM 0 HA GLU A 999 9.065 -3.297 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.882 -5.507 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.330 -4.744 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.522 -4.060 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.072 -4.717 3.941 1.00 0.00 H new ATOM 888 N LEU A1000 9.409 -1.916 1.119 1.00 0.00 N ATOM 889 CA LEU A1000 10.080 -0.836 0.416 1.00 0.00 C ATOM 890 C LEU A1000 9.809 0.456 1.164 1.00 0.00 C ATOM 891 O LEU A1000 10.700 1.286 1.348 1.00 0.00 O ATOM 892 CB LEU A1000 9.549 -0.714 -1.020 1.00 0.00 C ATOM 893 CG LEU A1000 9.813 -2.005 -1.808 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.279 -1.843 -3.233 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.312 -2.328 -1.839 1.00 0.00 C ATOM 0 H LEU A1000 8.717 -2.422 0.566 1.00 0.00 H new ATOM 0 HA LEU A1000 11.150 -1.040 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.479 -0.506 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.028 0.128 -1.520 1.00 0.00 H new ATOM 0 HG LEU A1000 9.300 -2.832 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.464 -2.757 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.207 -1.648 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.785 -1.009 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.475 -3.247 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.851 -1.509 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.677 -2.458 -0.820 1.00 0.00 H new ATOM 907 N ARG A1001 8.569 0.609 1.607 1.00 0.00 N ATOM 908 CA ARG A1001 8.179 1.786 2.356 1.00 0.00 C ATOM 909 C ARG A1001 8.926 1.850 3.680 1.00 0.00 C ATOM 910 O ARG A1001 9.361 2.916 4.109 1.00 0.00 O ATOM 911 CB ARG A1001 6.662 1.787 2.585 1.00 0.00 C ATOM 912 CG ARG A1001 6.283 2.636 3.805 1.00 0.00 C ATOM 913 CD ARG A1001 4.772 2.844 3.826 1.00 0.00 C ATOM 914 NE ARG A1001 4.392 3.664 4.973 1.00 0.00 N ATOM 915 CZ ARG A1001 4.224 3.130 6.180 1.00 0.00 C ATOM 916 NH1 ARG A1001 4.402 1.849 6.355 1.00 0.00 N ATOM 917 NH2 ARG A1001 3.874 3.883 7.185 1.00 0.00 N ATOM 0 H ARG A1001 7.820 -0.068 1.459 1.00 0.00 H new ATOM 0 HA ARG A1001 8.442 2.672 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.159 2.174 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.313 0.764 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.606 2.141 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A1001 6.793 3.598 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.451 3.326 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.265 1.880 3.875 1.00 0.00 H new ATOM 0 HE ARG A1001 4.253 4.666 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A1001 4.669 1.259 5.567 1.00 0.00 H new ATOM 0 HH12 ARG A1001 4.274 1.438 7.280 1.00 0.00 H new ATOM 0 HH21 ARG A1001 3.729 4.883 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A1001 3.746 3.472 8.110 1.00 0.00 H new ATOM 931 N ALA A1002 9.072 0.709 4.329 1.00 0.00 N ATOM 932 CA ALA A1002 9.768 0.694 5.595 1.00 0.00 C ATOM 933 C ALA A1002 11.127 1.327 5.395 1.00 0.00 C ATOM 934 O ALA A1002 11.636 2.040 6.262 1.00 0.00 O ATOM 935 CB ALA A1002 9.918 -0.735 6.124 1.00 0.00 C ATOM 0 H ALA A1002 8.727 -0.196 4.008 1.00 0.00 H new ATOM 0 HA ALA A1002 9.195 1.255 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.445 -0.716 7.078 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.931 -1.177 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.484 -1.331 5.408 1.00 0.00 H new ATOM 941 N LYS A1003 11.687 1.084 4.219 1.00 0.00 N ATOM 942 CA LYS A1003 12.981 1.656 3.873 1.00 0.00 C ATOM 943 C LYS A1003 12.834 3.140 3.531 1.00 0.00 C ATOM 944 O LYS A1003 13.714 3.949 3.824 1.00 0.00 O ATOM 945 CB LYS A1003 13.601 0.909 2.694 1.00 0.00 C ATOM 946 CG LYS A1003 13.882 -0.534 3.110 1.00 0.00 C ATOM 947 CD LYS A1003 14.657 -1.239 1.997 1.00 0.00 C ATOM 948 CE LYS A1003 15.110 -2.620 2.477 1.00 0.00 C ATOM 949 NZ LYS A1003 13.919 -3.452 2.803 1.00 0.00 N ATOM 0 H LYS A1003 11.271 0.500 3.494 1.00 0.00 H new ATOM 0 HA LYS A1003 13.640 1.556 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A1003 12.926 0.929 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.524 1.397 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.456 -0.552 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A1003 12.946 -1.057 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A1003 14.030 -1.339 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.522 -0.642 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A1003 15.706 -3.107 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.747 -2.520 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 13.902 -3.648 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 13.054 -2.941 2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 13.968 -4.349 2.279 1.00 0.00 H new ATOM 963 N ARG A1004 11.705 3.486 2.914 1.00 0.00 N ATOM 964 CA ARG A1004 11.419 4.871 2.526 1.00 0.00 C ATOM 965 C ARG A1004 11.409 5.784 3.747 1.00 0.00 C ATOM 966 O ARG A1004 11.876 6.921 3.685 1.00 0.00 O ATOM 967 CB ARG A1004 10.057 4.927 1.822 1.00 0.00 C ATOM 968 CG ARG A1004 9.680 6.359 1.433 1.00 0.00 C ATOM 969 CD ARG A1004 10.818 7.046 0.675 1.00 0.00 C ATOM 970 NE ARG A1004 10.278 8.160 -0.098 1.00 0.00 N ATOM 971 CZ ARG A1004 11.032 9.203 -0.435 1.00 0.00 C ATOM 972 NH1 ARG A1004 12.295 9.229 -0.110 1.00 0.00 N ATOM 973 NH2 ARG A1004 10.516 10.191 -1.113 1.00 0.00 N ATOM 0 H ARG A1004 10.968 2.824 2.670 1.00 0.00 H new ATOM 0 HA ARG A1004 12.200 5.216 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A1004 10.083 4.302 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A1004 9.291 4.514 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A1004 8.783 6.346 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A1004 9.440 6.931 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A1004 11.572 7.406 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A1004 11.311 6.334 0.013 1.00 0.00 H new ATOM 0 HE ARG A1004 9.300 8.138 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A1004 12.706 8.449 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A1004 12.872 10.029 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A1004 9.533 10.164 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A1004 11.095 10.990 -1.371 1.00 0.00 H new ATOM 987 N LEU A1005 10.869 5.288 4.853 1.00 0.00 N ATOM 988 CA LEU A1005 10.804 6.082 6.072 1.00 0.00 C ATOM 989 C LEU A1005 12.210 6.445 6.541 1.00 0.00 C ATOM 990 O LEU A1005 13.119 5.617 6.505 1.00 0.00 O ATOM 991 CB LEU A1005 10.106 5.295 7.182 1.00 0.00 C ATOM 992 CG LEU A1005 8.669 4.951 6.769 1.00 0.00 C ATOM 993 CD1 LEU A1005 8.073 3.982 7.792 1.00 0.00 C ATOM 994 CD2 LEU A1005 7.810 6.229 6.695 1.00 0.00 C ATOM 0 H LEU A1005 10.474 4.351 4.931 1.00 0.00 H new ATOM 0 HA LEU A1005 10.241 6.990 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A1005 10.660 4.380 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A1005 10.097 5.880 8.102 1.00 0.00 H new ATOM 0 HG LEU A1005 8.680 4.486 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A1005 7.051 3.733 7.505 1.00 0.00 H new ATOM 0 HD12 LEU A1005 8.673 3.073 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A1005 8.069 4.449 8.777 1.00 0.00 H new ATOM 0 HD21 LEU A1005 6.794 5.968 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A1005 7.792 6.712 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A1005 8.236 6.912 5.960 1.00 0.00 H new ATOM 1006 N SER A1006 12.381 7.692 6.973 1.00 0.00 N ATOM 1007 CA SER A1006 13.686 8.153 7.440 1.00 0.00 C ATOM 1008 C SER A1006 13.918 7.725 8.886 1.00 0.00 C ATOM 1009 O SER A1006 13.602 8.502 9.772 1.00 0.00 O ATOM 1010 CB SER A1006 13.772 9.678 7.335 1.00 0.00 C ATOM 1011 OG SER A1006 14.972 10.118 7.958 1.00 0.00 O ATOM 0 H SER A1006 11.642 8.394 7.010 1.00 0.00 H new ATOM 0 HA SER A1006 14.455 7.704 6.812 1.00 0.00 H new ATOM 0 HB2 SER A1006 13.756 9.985 6.289 1.00 0.00 H new ATOM 0 HB3 SER A1006 12.908 10.138 7.815 1.00 0.00 H new ATOM 0 HG SER A1006 15.035 11.094 7.894 1.00 0.00 H new TER 1017 SER A1006