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 130:sc= -3.49! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.6! C(o=-11!,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= -0.268! K(o=-0.27!,f=-1.8) USER MOD Single : A 968 LYS NZ :NH3+ 157:sc= -1.22 (180deg=-2.37) USER MOD Single : A 970 MET CE :methyl -159:sc= 0 (180deg=-0.00292) USER MOD Single : A 973 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.22) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -5:sc= 0.876 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -157:sc= 0.696 USER MOD Single : A 992 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.61) USER MOD Single : A 994 TYR OH : rot 59:sc= 0.0465 USER MOD Single : A 995 ASN : amide:sc= 1.07 K(o=1.1,f=-0.39) USER MOD Single : A1003 LYS NZ :NH3+ -160:sc= -0.133 (180deg=-0.799) USER MOD Single : A1006 SER OG : rot -15:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -21.611 7.227 12.745 1.00 0.00 N ATOM 2 CA GLY A 945 -22.554 6.091 12.548 1.00 0.00 C ATOM 3 C GLY A 945 -21.767 4.795 12.396 1.00 0.00 C ATOM 4 O GLY A 945 -22.285 3.798 11.893 1.00 0.00 O ATOM 0 HA2 GLY A 945 -23.234 6.018 13.397 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -23.166 6.263 11.663 1.00 0.00 H new ATOM 7 N ALA A 946 -20.512 4.815 12.835 1.00 0.00 N ATOM 8 CA ALA A 946 -19.659 3.637 12.742 1.00 0.00 C ATOM 9 C ALA A 946 -19.768 3.003 11.358 1.00 0.00 C ATOM 10 O ALA A 946 -20.415 3.551 10.467 1.00 0.00 O ATOM 11 CB ALA A 946 -20.061 2.617 13.812 1.00 0.00 C ATOM 0 H ALA A 946 -20.066 5.630 13.256 1.00 0.00 H new ATOM 0 HA ALA A 946 -18.626 3.944 12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -19.420 1.739 13.737 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -19.951 3.064 14.800 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -21.099 2.322 13.661 1.00 0.00 H new ATOM 17 N MET A 947 -19.126 1.849 11.190 1.00 0.00 N ATOM 18 CA MET A 947 -19.145 1.132 9.913 1.00 0.00 C ATOM 19 C MET A 947 -18.404 1.917 8.828 1.00 0.00 C ATOM 20 O MET A 947 -17.769 1.328 7.953 1.00 0.00 O ATOM 21 CB MET A 947 -20.588 0.875 9.470 1.00 0.00 C ATOM 22 CG MET A 947 -20.609 -0.196 8.377 1.00 0.00 C ATOM 23 SD MET A 947 -22.317 -0.489 7.855 1.00 0.00 S ATOM 24 CE MET A 947 -21.980 -1.855 6.717 1.00 0.00 C ATOM 0 H MET A 947 -18.585 1.388 11.922 1.00 0.00 H new ATOM 0 HA MET A 947 -18.636 0.179 10.057 1.00 0.00 H new ATOM 0 HB2 MET A 947 -21.188 0.552 10.321 1.00 0.00 H new ATOM 0 HB3 MET A 947 -21.034 1.797 9.098 1.00 0.00 H new ATOM 0 HG2 MET A 947 -20.007 0.125 7.527 1.00 0.00 H new ATOM 0 HG3 MET A 947 -20.167 -1.120 8.750 1.00 0.00 H new ATOM 0 HE1 MET A 947 -22.915 -2.197 6.273 1.00 0.00 H new ATOM 0 HE2 MET A 947 -21.307 -1.515 5.930 1.00 0.00 H new ATOM 0 HE3 MET A 947 -21.515 -2.676 7.262 1.00 0.00 H new ATOM 34 N ALA A 948 -18.483 3.246 8.888 1.00 0.00 N ATOM 35 CA ALA A 948 -17.812 4.097 7.903 1.00 0.00 C ATOM 36 C ALA A 948 -16.462 4.562 8.436 1.00 0.00 C ATOM 37 O ALA A 948 -16.368 5.592 9.103 1.00 0.00 O ATOM 38 CB ALA A 948 -18.683 5.316 7.590 1.00 0.00 C ATOM 0 H ALA A 948 -19.002 3.755 9.604 1.00 0.00 H new ATOM 0 HA ALA A 948 -17.655 3.518 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -18.178 5.945 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -19.640 4.985 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -18.852 5.887 8.503 1.00 0.00 H new ATOM 44 N ILE A 949 -15.417 3.797 8.137 1.00 0.00 N ATOM 45 CA ILE A 949 -14.075 4.145 8.590 1.00 0.00 C ATOM 46 C ILE A 949 -13.557 5.359 7.826 1.00 0.00 C ATOM 47 O ILE A 949 -12.793 6.162 8.363 1.00 0.00 O ATOM 48 CB ILE A 949 -13.114 2.951 8.404 1.00 0.00 C ATOM 49 CG1 ILE A 949 -13.387 2.250 7.041 1.00 0.00 C ATOM 50 CG2 ILE A 949 -13.274 1.965 9.573 1.00 0.00 C ATOM 51 CD1 ILE A 949 -14.373 1.076 7.196 1.00 0.00 C ATOM 0 H ILE A 949 -15.472 2.939 7.588 1.00 0.00 H new ATOM 0 HA ILE A 949 -14.123 4.391 9.651 1.00 0.00 H new ATOM 0 HB ILE A 949 -12.086 3.314 8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -13.790 2.974 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -12.448 1.885 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -12.593 1.125 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -13.042 2.471 10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -14.300 1.599 9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -14.540 0.610 6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -13.957 0.340 7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -15.320 1.446 7.589 1.00 0.00 H new ATOM 63 N ALA A 950 -13.977 5.491 6.573 1.00 0.00 N ATOM 64 CA ALA A 950 -13.551 6.613 5.745 1.00 0.00 C ATOM 65 C ALA A 950 -12.045 6.823 5.862 1.00 0.00 C ATOM 66 O ALA A 950 -11.532 7.892 5.533 1.00 0.00 O ATOM 67 CB ALA A 950 -14.282 7.886 6.173 1.00 0.00 C ATOM 0 H ALA A 950 -14.609 4.838 6.110 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.795 6.388 4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.958 8.719 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -15.357 7.744 6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -14.053 8.104 7.216 1.00 0.00 H new ATOM 73 N LEU A 951 -11.343 5.790 6.324 1.00 0.00 N ATOM 74 CA LEU A 951 -9.894 5.856 6.475 1.00 0.00 C ATOM 75 C LEU A 951 -9.492 7.032 7.368 1.00 0.00 C ATOM 76 O LEU A 951 -10.188 8.043 7.441 1.00 0.00 O ATOM 77 CB LEU A 951 -9.235 5.993 5.089 1.00 0.00 C ATOM 78 CG LEU A 951 -8.959 4.606 4.493 1.00 0.00 C ATOM 79 CD1 LEU A 951 -10.268 3.823 4.383 1.00 0.00 C ATOM 80 CD2 LEU A 951 -8.348 4.770 3.100 1.00 0.00 C ATOM 0 H LEU A 951 -11.755 4.899 6.600 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.551 4.937 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.886 6.560 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -8.303 6.552 5.175 1.00 0.00 H new ATOM 0 HG LEU A 951 -8.268 4.064 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.069 2.839 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.708 3.709 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.961 4.362 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -8.150 3.787 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -9.044 5.312 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -7.415 5.328 3.175 1.00 0.00 H new ATOM 92 N ARG A 952 -8.350 6.887 8.035 1.00 0.00 N ATOM 93 CA ARG A 952 -7.830 7.933 8.916 1.00 0.00 C ATOM 94 C ARG A 952 -6.805 8.771 8.163 1.00 0.00 C ATOM 95 O ARG A 952 -6.457 8.461 7.024 1.00 0.00 O ATOM 96 CB ARG A 952 -7.177 7.304 10.148 1.00 0.00 C ATOM 97 CG ARG A 952 -8.246 6.607 10.992 1.00 0.00 C ATOM 98 CD ARG A 952 -7.583 5.899 12.174 1.00 0.00 C ATOM 99 NE ARG A 952 -6.937 6.873 13.049 1.00 0.00 N ATOM 100 CZ ARG A 952 -7.622 7.513 13.991 1.00 0.00 C ATOM 101 NH1 ARG A 952 -8.897 7.280 14.144 1.00 0.00 N ATOM 102 NH2 ARG A 952 -7.020 8.375 14.766 1.00 0.00 N ATOM 0 H ARG A 952 -7.764 6.053 7.983 1.00 0.00 H new ATOM 0 HA ARG A 952 -8.654 8.570 9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -6.415 6.587 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.675 8.071 10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.972 7.336 11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.792 5.887 10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -8.329 5.335 12.734 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -6.847 5.181 11.811 1.00 0.00 H new ATOM 0 HE ARG A 952 -5.942 7.066 12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -9.368 6.606 13.540 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -9.422 7.772 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -6.023 8.557 14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -7.547 8.866 15.489 1.00 0.00 H new ATOM 116 N ASP A 953 -6.325 9.836 8.797 1.00 0.00 N ATOM 117 CA ASP A 953 -5.342 10.702 8.155 1.00 0.00 C ATOM 118 C ASP A 953 -4.096 9.908 7.775 1.00 0.00 C ATOM 119 O ASP A 953 -3.588 10.031 6.661 1.00 0.00 O ATOM 120 CB ASP A 953 -4.955 11.846 9.093 1.00 0.00 C ATOM 121 CG ASP A 953 -3.921 12.742 8.419 1.00 0.00 C ATOM 122 OD1 ASP A 953 -4.250 13.334 7.405 1.00 0.00 O ATOM 123 OD2 ASP A 953 -2.815 12.823 8.928 1.00 0.00 O ATOM 0 H ASP A 953 -6.595 10.117 9.740 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.788 11.114 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -5.839 12.428 9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -4.551 11.445 10.023 1.00 0.00 H new ATOM 128 N ASP A 954 -3.609 9.092 8.704 1.00 0.00 N ATOM 129 CA ASP A 954 -2.424 8.281 8.446 1.00 0.00 C ATOM 130 C ASP A 954 -2.704 7.281 7.330 1.00 0.00 C ATOM 131 O ASP A 954 -1.877 7.073 6.442 1.00 0.00 O ATOM 132 CB ASP A 954 -2.021 7.531 9.716 1.00 0.00 C ATOM 133 CG ASP A 954 -1.428 8.500 10.732 1.00 0.00 C ATOM 134 OD1 ASP A 954 -1.070 9.598 10.337 1.00 0.00 O ATOM 135 OD2 ASP A 954 -1.344 8.134 11.892 1.00 0.00 O ATOM 0 H ASP A 954 -4.012 8.975 9.634 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.610 8.938 8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.890 7.031 10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -1.294 6.756 9.474 1.00 0.00 H new ATOM 140 N GLU A 955 -3.880 6.671 7.387 1.00 0.00 N ATOM 141 CA GLU A 955 -4.284 5.690 6.387 1.00 0.00 C ATOM 142 C GLU A 955 -4.504 6.359 5.036 1.00 0.00 C ATOM 143 O GLU A 955 -4.181 5.797 3.990 1.00 0.00 O ATOM 144 CB GLU A 955 -5.569 5.008 6.841 1.00 0.00 C ATOM 145 CG GLU A 955 -5.308 4.289 8.165 1.00 0.00 C ATOM 146 CD GLU A 955 -4.405 3.082 7.935 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.930 2.016 7.661 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.199 3.243 8.039 1.00 0.00 O ATOM 0 H GLU A 955 -4.573 6.838 8.117 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.492 4.949 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.364 5.744 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.905 4.297 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.841 4.973 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.252 3.968 8.606 1.00 0.00 H new ATOM 155 N TYR A 956 -5.048 7.570 5.069 1.00 0.00 N ATOM 156 CA TYR A 956 -5.300 8.317 3.846 1.00 0.00 C ATOM 157 C TYR A 956 -3.991 8.526 3.098 1.00 0.00 C ATOM 158 O TYR A 956 -3.924 8.372 1.877 1.00 0.00 O ATOM 159 CB TYR A 956 -5.926 9.672 4.185 1.00 0.00 C ATOM 160 CG TYR A 956 -6.082 10.489 2.925 1.00 0.00 C ATOM 161 CD1 TYR A 956 -7.247 10.382 2.155 1.00 0.00 C ATOM 162 CD2 TYR A 956 -5.058 11.358 2.529 1.00 0.00 C ATOM 163 CE1 TYR A 956 -7.387 11.143 0.989 1.00 0.00 C ATOM 164 CE2 TYR A 956 -5.198 12.120 1.364 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.362 12.012 0.594 1.00 0.00 C ATOM 166 OH TYR A 956 -6.500 12.764 -0.557 1.00 0.00 O ATOM 0 H TYR A 956 -5.321 8.052 5.925 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.989 7.755 3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.897 9.527 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.299 10.205 4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -8.037 9.712 2.461 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -4.160 11.440 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -8.285 11.060 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -4.409 12.791 1.059 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.700 13.315 -0.686 1.00 0.00 H new ATOM 176 N ASP A 957 -2.950 8.868 3.845 1.00 0.00 N ATOM 177 CA ASP A 957 -1.636 9.090 3.256 1.00 0.00 C ATOM 178 C ASP A 957 -1.123 7.799 2.632 1.00 0.00 C ATOM 179 O ASP A 957 -0.478 7.817 1.585 1.00 0.00 O ATOM 180 CB ASP A 957 -0.656 9.570 4.326 1.00 0.00 C ATOM 181 CG ASP A 957 0.608 10.111 3.668 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.503 11.077 2.930 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.666 9.555 3.915 1.00 0.00 O ATOM 0 H ASP A 957 -2.989 8.997 4.856 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.721 9.854 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -1.120 10.346 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.404 8.748 4.996 1.00 0.00 H new ATOM 188 N GLU A 958 -1.415 6.679 3.284 1.00 0.00 N ATOM 189 CA GLU A 958 -0.980 5.379 2.783 1.00 0.00 C ATOM 190 C GLU A 958 -1.660 5.068 1.453 1.00 0.00 C ATOM 191 O GLU A 958 -1.028 4.555 0.531 1.00 0.00 O ATOM 192 CB GLU A 958 -1.320 4.287 3.802 1.00 0.00 C ATOM 193 CG GLU A 958 -0.775 2.939 3.319 1.00 0.00 C ATOM 194 CD GLU A 958 -1.083 1.857 4.348 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.839 2.137 5.264 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.566 0.762 4.200 1.00 0.00 O ATOM 0 H GLU A 958 -1.947 6.644 4.154 1.00 0.00 H new ATOM 0 HA GLU A 958 0.099 5.408 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.891 4.536 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.400 4.226 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -1.222 2.679 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.301 3.007 3.161 1.00 0.00 H new ATOM 203 N TRP A 959 -2.948 5.386 1.357 1.00 0.00 N ATOM 204 CA TRP A 959 -3.691 5.135 0.130 1.00 0.00 C ATOM 205 C TRP A 959 -3.137 5.999 -1.003 1.00 0.00 C ATOM 206 O TRP A 959 -2.888 5.517 -2.101 1.00 0.00 O ATOM 207 CB TRP A 959 -5.180 5.417 0.366 1.00 0.00 C ATOM 208 CG TRP A 959 -5.928 5.413 -0.925 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.009 4.373 -1.784 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.712 6.486 -1.502 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.801 4.743 -2.856 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.257 6.041 -2.729 1.00 0.00 C ATOM 213 CE3 TRP A 959 -7.000 7.793 -1.080 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.063 6.866 -3.509 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.809 8.629 -1.863 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.343 8.167 -3.075 1.00 0.00 C ATOM 0 H TRP A 959 -3.492 5.813 2.106 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.580 4.090 -0.160 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.596 4.664 1.036 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.299 6.382 0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.534 3.412 -1.655 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.021 4.133 -3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.596 8.157 -0.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.469 6.505 -4.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.022 9.634 -1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -8.969 8.814 -3.672 1.00 0.00 H new ATOM 227 N GLN A 960 -2.920 7.275 -0.735 1.00 0.00 N ATOM 228 CA GLN A 960 -2.371 8.149 -1.762 1.00 0.00 C ATOM 229 C GLN A 960 -0.965 7.695 -2.131 1.00 0.00 C ATOM 230 O GLN A 960 -0.559 7.766 -3.291 1.00 0.00 O ATOM 231 CB GLN A 960 -2.339 9.597 -1.265 1.00 0.00 C ATOM 232 CG GLN A 960 -3.768 10.135 -1.167 1.00 0.00 C ATOM 233 CD GLN A 960 -4.367 10.285 -2.563 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.878 11.079 -3.366 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.390 9.553 -2.907 1.00 0.00 N ATOM 0 H GLN A 960 -3.109 7.723 0.162 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.007 8.096 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.853 9.648 -0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.753 10.214 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.380 9.458 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.768 11.098 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.794 8.895 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.786 9.638 -3.843 1.00 0.00 H new ATOM 244 N ASP A 961 -0.232 7.226 -1.133 1.00 0.00 N ATOM 245 CA ASP A 961 1.129 6.756 -1.346 1.00 0.00 C ATOM 246 C ASP A 961 1.152 5.521 -2.242 1.00 0.00 C ATOM 247 O ASP A 961 2.047 5.373 -3.078 1.00 0.00 O ATOM 248 CB ASP A 961 1.782 6.424 -0.002 1.00 0.00 C ATOM 249 CG ASP A 961 2.086 7.709 0.762 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.040 8.764 0.152 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.365 7.617 1.947 1.00 0.00 O ATOM 0 H ASP A 961 -0.556 7.161 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 961 1.687 7.551 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.120 5.789 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.701 5.861 -0.164 1.00 0.00 H new ATOM 256 N ILE A 962 0.177 4.628 -2.070 1.00 0.00 N ATOM 257 CA ILE A 962 0.140 3.419 -2.883 1.00 0.00 C ATOM 258 C ILE A 962 -0.189 3.808 -4.323 1.00 0.00 C ATOM 259 O ILE A 962 0.360 3.253 -5.279 1.00 0.00 O ATOM 260 CB ILE A 962 -0.876 2.394 -2.302 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.342 0.966 -2.499 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.241 2.507 -2.997 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.349 -0.047 -1.948 1.00 0.00 C ATOM 0 H ILE A 962 -0.579 4.717 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 962 1.113 2.928 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.000 2.612 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.165 0.777 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.616 0.853 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.929 1.778 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.641 3.511 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.124 2.313 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.964 -1.057 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.504 0.135 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.297 0.058 -2.476 1.00 0.00 H new ATOM 275 N ILE A 963 -1.080 4.787 -4.465 1.00 0.00 N ATOM 276 CA ILE A 963 -1.460 5.264 -5.787 1.00 0.00 C ATOM 277 C ILE A 963 -0.229 5.822 -6.484 1.00 0.00 C ATOM 278 O ILE A 963 0.015 5.546 -7.661 1.00 0.00 O ATOM 279 CB ILE A 963 -2.532 6.349 -5.668 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.826 5.709 -5.166 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.774 6.994 -7.035 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.876 6.774 -4.835 1.00 0.00 C ATOM 0 H ILE A 963 -1.546 5.259 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 963 -1.868 4.438 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.201 7.118 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.218 5.031 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.619 5.110 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.538 7.766 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.848 7.442 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.108 6.234 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.786 6.290 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.491 7.436 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.099 7.355 -5.730 1.00 0.00 H new ATOM 294 N ARG A 964 0.558 6.582 -5.738 1.00 0.00 N ATOM 295 CA ARG A 964 1.783 7.148 -6.278 1.00 0.00 C ATOM 296 C ARG A 964 2.709 6.019 -6.716 1.00 0.00 C ATOM 297 O ARG A 964 3.359 6.104 -7.758 1.00 0.00 O ATOM 298 CB ARG A 964 2.479 8.013 -5.221 1.00 0.00 C ATOM 299 CG ARG A 964 3.725 8.663 -5.828 1.00 0.00 C ATOM 300 CD ARG A 964 4.409 9.539 -4.777 1.00 0.00 C ATOM 301 NE ARG A 964 4.830 8.723 -3.641 1.00 0.00 N ATOM 302 CZ ARG A 964 5.975 8.048 -3.662 1.00 0.00 C ATOM 303 NH1 ARG A 964 6.749 8.103 -4.712 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.324 7.328 -2.630 1.00 0.00 N ATOM 0 H ARG A 964 0.372 6.820 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 964 1.541 7.775 -7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.796 8.781 -4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.757 7.402 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.414 7.895 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.449 9.265 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 964 5.273 10.039 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 964 3.725 10.319 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 964 4.234 8.670 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 964 6.476 8.665 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.627 7.584 -4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 964 5.719 7.284 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 964 7.202 6.809 -2.644 1.00 0.00 H new ATOM 318 N ASP A 965 2.765 4.965 -5.908 1.00 0.00 N ATOM 319 CA ASP A 965 3.616 3.821 -6.217 1.00 0.00 C ATOM 320 C ASP A 965 3.249 3.221 -7.574 1.00 0.00 C ATOM 321 O ASP A 965 4.129 2.935 -8.387 1.00 0.00 O ATOM 322 CB ASP A 965 3.470 2.751 -5.134 1.00 0.00 C ATOM 323 CG ASP A 965 4.545 1.685 -5.310 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.713 2.026 -5.210 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.186 0.541 -5.542 1.00 0.00 O ATOM 0 H ASP A 965 2.235 4.879 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 965 4.649 4.167 -6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.555 3.206 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.481 2.296 -5.191 1.00 0.00 H new ATOM 330 N TRP A 966 1.953 3.031 -7.823 1.00 0.00 N ATOM 331 CA TRP A 966 1.518 2.462 -9.099 1.00 0.00 C ATOM 332 C TRP A 966 1.554 3.527 -10.196 1.00 0.00 C ATOM 333 O TRP A 966 1.299 3.240 -11.365 1.00 0.00 O ATOM 334 CB TRP A 966 0.098 1.893 -8.991 1.00 0.00 C ATOM 335 CG TRP A 966 -0.069 1.099 -7.734 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.010 1.349 -6.797 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.681 -0.067 -7.261 1.00 0.00 C ATOM 338 NE1 TRP A 966 -0.890 0.424 -5.780 1.00 0.00 N ATOM 339 CE2 TRP A 966 0.139 -0.467 -6.016 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.763 -0.806 -7.777 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.651 -1.557 -5.309 1.00 0.00 C ATOM 342 CZ3 TRP A 966 2.280 -1.903 -7.067 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.724 -2.278 -5.835 1.00 0.00 C ATOM 0 H TRP A 966 1.200 3.257 -7.173 1.00 0.00 H new ATOM 0 HA TRP A 966 2.203 1.653 -9.354 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.626 2.708 -9.009 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.111 1.261 -9.854 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.739 2.145 -6.838 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.488 0.401 -4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 966 2.199 -0.528 -8.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 0.219 -1.840 -4.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 3.111 -2.461 -7.473 1.00 0.00 H new ATOM 0 HH2 TRP A 966 2.125 -3.123 -5.295 1.00 0.00 H new ATOM 354 N ARG A 967 1.887 4.751 -9.806 1.00 0.00 N ATOM 355 CA ARG A 967 1.976 5.862 -10.753 1.00 0.00 C ATOM 356 C ARG A 967 0.721 5.983 -11.620 1.00 0.00 C ATOM 357 O ARG A 967 0.772 6.552 -12.712 1.00 0.00 O ATOM 358 CB ARG A 967 3.202 5.688 -11.658 1.00 0.00 C ATOM 359 CG ARG A 967 4.481 5.551 -10.815 1.00 0.00 C ATOM 360 CD ARG A 967 4.933 6.921 -10.293 1.00 0.00 C ATOM 361 NE ARG A 967 5.091 7.859 -11.399 1.00 0.00 N ATOM 362 CZ ARG A 967 6.215 7.912 -12.108 1.00 0.00 C ATOM 363 NH1 ARG A 967 7.206 7.112 -11.819 1.00 0.00 N ATOM 364 NH2 ARG A 967 6.326 8.761 -13.092 1.00 0.00 N ATOM 0 H ARG A 967 2.100 5.002 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 967 2.070 6.776 -10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 967 3.076 4.805 -12.284 1.00 0.00 H new ATOM 0 HB3 ARG A 967 3.291 6.543 -12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.300 4.878 -9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 967 5.273 5.105 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.201 7.306 -9.583 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.876 6.820 -9.756 1.00 0.00 H new ATOM 0 HE ARG A 967 4.323 8.488 -11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 967 7.117 6.447 -11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 967 8.069 7.152 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.551 9.384 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 967 7.188 8.802 -13.636 1.00 0.00 H new ATOM 378 N LYS A 968 -0.410 5.476 -11.129 1.00 0.00 N ATOM 379 CA LYS A 968 -1.676 5.569 -11.870 1.00 0.00 C ATOM 380 C LYS A 968 -2.800 6.000 -10.929 1.00 0.00 C ATOM 381 O LYS A 968 -2.610 6.903 -10.114 1.00 0.00 O ATOM 382 CB LYS A 968 -2.020 4.234 -12.548 1.00 0.00 C ATOM 383 CG LYS A 968 -2.042 3.108 -11.508 1.00 0.00 C ATOM 384 CD LYS A 968 -2.732 1.856 -12.083 1.00 0.00 C ATOM 385 CE LYS A 968 -1.744 1.063 -12.945 1.00 0.00 C ATOM 386 NZ LYS A 968 -0.654 0.524 -12.085 1.00 0.00 N ATOM 0 H LYS A 968 -0.480 5.000 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 968 -1.563 6.319 -12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -2.990 4.306 -13.039 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.286 4.010 -13.323 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.023 2.863 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -2.568 3.442 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -3.103 1.230 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -3.595 2.148 -12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -2.260 0.247 -13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -1.326 1.704 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -0.221 -0.300 -12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 0.068 1.258 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -1.047 0.237 -11.166 1.00 0.00 H new ATOM 400 N GLU A 969 -3.973 5.375 -11.042 1.00 0.00 N ATOM 401 CA GLU A 969 -5.104 5.743 -10.181 1.00 0.00 C ATOM 402 C GLU A 969 -5.956 4.527 -9.822 1.00 0.00 C ATOM 403 O GLU A 969 -6.166 3.628 -10.636 1.00 0.00 O ATOM 404 CB GLU A 969 -5.972 6.783 -10.893 1.00 0.00 C ATOM 405 CG GLU A 969 -7.103 7.240 -9.965 1.00 0.00 C ATOM 406 CD GLU A 969 -7.922 8.333 -10.642 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.458 8.865 -11.637 1.00 0.00 O ATOM 408 OE2 GLU A 969 -9.002 8.624 -10.153 1.00 0.00 O ATOM 0 H GLU A 969 -4.166 4.626 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.703 6.158 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.363 7.638 -11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.388 6.358 -11.807 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -7.744 6.395 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -6.688 7.612 -9.028 1.00 0.00 H new ATOM 415 N MET A 970 -6.457 4.535 -8.590 1.00 0.00 N ATOM 416 CA MET A 970 -7.310 3.463 -8.087 1.00 0.00 C ATOM 417 C MET A 970 -8.098 3.985 -6.887 1.00 0.00 C ATOM 418 O MET A 970 -7.714 4.980 -6.270 1.00 0.00 O ATOM 419 CB MET A 970 -6.496 2.209 -7.697 1.00 0.00 C ATOM 420 CG MET A 970 -5.163 2.589 -7.035 1.00 0.00 C ATOM 421 SD MET A 970 -5.407 2.770 -5.250 1.00 0.00 S ATOM 422 CE MET A 970 -5.107 1.039 -4.813 1.00 0.00 C ATOM 0 H MET A 970 -6.284 5.280 -7.916 1.00 0.00 H new ATOM 0 HA MET A 970 -7.992 3.160 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.080 1.592 -7.014 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.304 1.607 -8.585 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.414 1.823 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.787 3.521 -7.458 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.555 0.826 -3.842 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.552 0.391 -5.568 1.00 0.00 H new ATOM 0 HE3 MET A 970 -4.033 0.857 -4.765 1.00 0.00 H new ATOM 432 N THR A 971 -9.214 3.334 -6.580 1.00 0.00 N ATOM 433 CA THR A 971 -10.068 3.769 -5.472 1.00 0.00 C ATOM 434 C THR A 971 -9.625 3.193 -4.132 1.00 0.00 C ATOM 435 O THR A 971 -8.842 2.249 -4.067 1.00 0.00 O ATOM 436 CB THR A 971 -11.511 3.347 -5.743 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.579 1.932 -5.824 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.986 3.961 -7.060 1.00 0.00 C ATOM 0 H THR A 971 -9.550 2.509 -7.076 1.00 0.00 H new ATOM 0 HA THR A 971 -9.987 4.854 -5.410 1.00 0.00 H new ATOM 0 HB THR A 971 -12.151 3.696 -4.933 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.299 1.605 -5.245 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.016 3.659 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.933 5.048 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.349 3.615 -7.874 1.00 0.00 H new ATOM 446 N VAL A 972 -10.167 3.773 -3.066 1.00 0.00 N ATOM 447 CA VAL A 972 -9.876 3.329 -1.710 1.00 0.00 C ATOM 448 C VAL A 972 -10.398 1.907 -1.506 1.00 0.00 C ATOM 449 O VAL A 972 -9.731 1.068 -0.905 1.00 0.00 O ATOM 450 CB VAL A 972 -10.551 4.281 -0.706 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.619 3.634 0.691 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.747 5.586 -0.631 1.00 0.00 C ATOM 0 H VAL A 972 -10.816 4.558 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.798 3.337 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.567 4.489 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.099 4.321 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.196 2.711 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.610 3.412 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.220 6.265 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.731 5.369 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.718 6.053 -1.616 1.00 0.00 H new ATOM 462 N GLN A 973 -11.603 1.656 -1.992 1.00 0.00 N ATOM 463 CA GLN A 973 -12.210 0.344 -1.839 1.00 0.00 C ATOM 464 C GLN A 973 -11.267 -0.737 -2.355 1.00 0.00 C ATOM 465 O GLN A 973 -11.135 -1.801 -1.749 1.00 0.00 O ATOM 466 CB GLN A 973 -13.537 0.292 -2.605 1.00 0.00 C ATOM 467 CG GLN A 973 -14.399 -0.857 -2.076 1.00 0.00 C ATOM 468 CD GLN A 973 -14.977 -0.481 -0.716 1.00 0.00 C ATOM 469 OE1 GLN A 973 -14.925 -1.277 0.223 1.00 0.00 O ATOM 470 NE2 GLN A 973 -15.521 0.694 -0.554 1.00 0.00 N ATOM 0 H GLN A 973 -12.176 2.337 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.401 0.165 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.068 1.237 -2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.347 0.156 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.205 -1.073 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -13.800 -1.764 -1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.561 1.349 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -15.906 0.957 0.353 1.00 0.00 H new ATOM 479 N GLN A 974 -10.606 -0.457 -3.474 1.00 0.00 N ATOM 480 CA GLN A 974 -9.671 -1.410 -4.051 1.00 0.00 C ATOM 481 C GLN A 974 -8.551 -1.699 -3.049 1.00 0.00 C ATOM 482 O GLN A 974 -8.146 -2.847 -2.873 1.00 0.00 O ATOM 483 CB GLN A 974 -9.099 -0.830 -5.354 1.00 0.00 C ATOM 484 CG GLN A 974 -10.011 -1.169 -6.541 1.00 0.00 C ATOM 485 CD GLN A 974 -11.466 -0.819 -6.239 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.021 -1.251 -5.230 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.125 -0.059 -7.069 1.00 0.00 N ATOM 0 H GLN A 974 -10.701 0.415 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.182 -2.346 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.997 0.251 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.100 -1.230 -5.529 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.679 -0.624 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.931 -2.231 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.666 0.300 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.099 0.176 -6.881 1.00 0.00 H new ATOM 496 N PHE A 975 -8.071 -0.652 -2.381 1.00 0.00 N ATOM 497 CA PHE A 975 -7.017 -0.812 -1.384 1.00 0.00 C ATOM 498 C PHE A 975 -7.496 -1.707 -0.245 1.00 0.00 C ATOM 499 O PHE A 975 -6.769 -2.587 0.213 1.00 0.00 O ATOM 500 CB PHE A 975 -6.587 0.554 -0.829 1.00 0.00 C ATOM 501 CG PHE A 975 -5.588 0.352 0.291 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.351 -0.249 0.025 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.899 0.757 1.597 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.429 -0.443 1.061 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.976 0.566 2.630 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.742 -0.035 2.364 1.00 0.00 C ATOM 0 H PHE A 975 -8.392 0.307 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.159 -1.280 -1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.144 1.157 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.456 1.099 -0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.108 -0.563 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.853 1.217 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.476 -0.908 0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.217 0.883 3.634 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.031 -0.185 3.163 1.00 0.00 H new ATOM 516 N LEU A 976 -8.721 -1.467 0.214 1.00 0.00 N ATOM 517 CA LEU A 976 -9.283 -2.251 1.307 1.00 0.00 C ATOM 518 C LEU A 976 -9.347 -3.722 0.893 1.00 0.00 C ATOM 519 O LEU A 976 -9.045 -4.618 1.679 1.00 0.00 O ATOM 520 CB LEU A 976 -10.692 -1.715 1.647 1.00 0.00 C ATOM 521 CG LEU A 976 -11.094 -2.006 3.110 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.761 -3.452 3.496 1.00 0.00 C ATOM 523 CD2 LEU A 976 -10.398 -1.013 4.072 1.00 0.00 C ATOM 0 H LEU A 976 -9.338 -0.742 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.654 -2.166 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.721 -0.640 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.422 -2.167 0.975 1.00 0.00 H new ATOM 0 HG LEU A 976 -12.173 -1.874 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -11.054 -3.629 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -11.302 -4.137 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.689 -3.620 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -10.693 -1.233 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -9.317 -1.111 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -10.694 0.005 3.820 1.00 0.00 H new ATOM 535 N ASP A 977 -9.731 -3.976 -0.346 1.00 0.00 N ATOM 536 CA ASP A 977 -9.796 -5.348 -0.822 1.00 0.00 C ATOM 537 C ASP A 977 -8.394 -5.955 -0.858 1.00 0.00 C ATOM 538 O ASP A 977 -8.190 -7.108 -0.475 1.00 0.00 O ATOM 539 CB ASP A 977 -10.412 -5.394 -2.222 1.00 0.00 C ATOM 540 CG ASP A 977 -10.731 -6.835 -2.602 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.990 -7.620 -1.705 1.00 0.00 O ATOM 542 OD2 ASP A 977 -10.708 -7.134 -3.785 1.00 0.00 O ATOM 0 H ASP A 977 -9.998 -3.267 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.421 -5.925 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.320 -4.792 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.722 -4.962 -2.947 1.00 0.00 H new ATOM 547 N LEU A 978 -7.432 -5.164 -1.333 1.00 0.00 N ATOM 548 CA LEU A 978 -6.047 -5.616 -1.436 1.00 0.00 C ATOM 549 C LEU A 978 -5.428 -5.912 -0.068 1.00 0.00 C ATOM 550 O LEU A 978 -4.787 -6.946 0.116 1.00 0.00 O ATOM 551 CB LEU A 978 -5.225 -4.545 -2.160 1.00 0.00 C ATOM 552 CG LEU A 978 -3.733 -4.917 -2.181 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.541 -6.309 -2.793 1.00 0.00 C ATOM 554 CD2 LEU A 978 -2.976 -3.883 -3.022 1.00 0.00 C ATOM 0 H LEU A 978 -7.587 -4.208 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.039 -6.549 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.589 -4.430 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.357 -3.583 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.350 -4.926 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.480 -6.560 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.083 -7.045 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.923 -6.314 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.916 -4.137 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.370 -3.882 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.103 -2.894 -2.583 1.00 0.00 H new ATOM 566 N LYS A 979 -5.611 -5.004 0.889 1.00 0.00 N ATOM 567 CA LYS A 979 -5.048 -5.202 2.216 1.00 0.00 C ATOM 568 C LYS A 979 -5.774 -6.337 2.931 1.00 0.00 C ATOM 569 O LYS A 979 -5.158 -7.170 3.576 1.00 0.00 O ATOM 570 CB LYS A 979 -5.132 -3.892 3.021 1.00 0.00 C ATOM 571 CG LYS A 979 -6.538 -3.699 3.576 1.00 0.00 C ATOM 572 CD LYS A 979 -6.705 -2.269 4.099 1.00 0.00 C ATOM 573 CE LYS A 979 -5.790 -2.046 5.306 1.00 0.00 C ATOM 574 NZ LYS A 979 -6.219 -0.818 6.033 1.00 0.00 N ATOM 0 H LYS A 979 -6.137 -4.138 0.770 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.998 -5.480 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.411 -3.913 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.867 -3.048 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.275 -3.899 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.721 -4.412 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -6.464 -1.554 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.743 -2.095 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -5.831 -2.909 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -4.755 -1.945 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -5.598 -0.665 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -6.158 0.002 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.200 -0.932 6.358 1.00 0.00 H new ATOM 588 N GLU A 980 -7.090 -6.366 2.803 1.00 0.00 N ATOM 589 CA GLU A 980 -7.870 -7.409 3.450 1.00 0.00 C ATOM 590 C GLU A 980 -7.391 -8.787 2.999 1.00 0.00 C ATOM 591 O GLU A 980 -7.116 -9.661 3.823 1.00 0.00 O ATOM 592 CB GLU A 980 -9.352 -7.243 3.102 1.00 0.00 C ATOM 593 CG GLU A 980 -10.182 -8.263 3.886 1.00 0.00 C ATOM 594 CD GLU A 980 -11.663 -8.083 3.569 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.989 -7.972 2.398 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.449 -8.062 4.500 1.00 0.00 O ATOM 0 H GLU A 980 -7.634 -5.691 2.266 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.739 -7.323 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.681 -6.231 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.502 -7.383 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.867 -9.275 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -10.012 -8.137 4.955 1.00 0.00 H new ATOM 603 N ARG A 981 -7.296 -8.976 1.690 1.00 0.00 N ATOM 604 CA ARG A 981 -6.861 -10.258 1.146 1.00 0.00 C ATOM 605 C ARG A 981 -5.422 -10.576 1.556 1.00 0.00 C ATOM 606 O ARG A 981 -5.128 -11.685 1.997 1.00 0.00 O ATOM 607 CB ARG A 981 -6.948 -10.219 -0.385 1.00 0.00 C ATOM 608 CG ARG A 981 -8.411 -10.130 -0.845 1.00 0.00 C ATOM 609 CD ARG A 981 -9.079 -11.512 -0.812 1.00 0.00 C ATOM 610 NE ARG A 981 -10.386 -11.445 -1.454 1.00 0.00 N ATOM 611 CZ ARG A 981 -11.314 -12.371 -1.230 1.00 0.00 C ATOM 612 NH1 ARG A 981 -11.067 -13.363 -0.418 1.00 0.00 N ATOM 613 NH2 ARG A 981 -12.472 -12.290 -1.826 1.00 0.00 N ATOM 0 H ARG A 981 -7.512 -8.266 0.990 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.514 -11.034 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.390 -9.363 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.484 -11.112 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.958 -9.441 -0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.455 -9.724 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.450 -12.242 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.187 -11.849 0.219 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.593 -10.673 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -10.161 -13.429 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -11.780 -14.072 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.665 -11.517 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -13.184 -13.000 -1.655 1.00 0.00 H new ATOM 627 N ALA A 982 -4.528 -9.606 1.397 1.00 0.00 N ATOM 628 CA ALA A 982 -3.123 -9.820 1.739 1.00 0.00 C ATOM 629 C ALA A 982 -2.948 -10.134 3.213 1.00 0.00 C ATOM 630 O ALA A 982 -2.300 -11.116 3.577 1.00 0.00 O ATOM 631 CB ALA A 982 -2.308 -8.571 1.404 1.00 0.00 C ATOM 0 H ALA A 982 -4.745 -8.676 1.039 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.771 -10.671 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.262 -8.739 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.389 -8.359 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.690 -7.724 1.973 1.00 0.00 H new ATOM 637 N LEU A 983 -3.511 -9.289 4.058 1.00 0.00 N ATOM 638 CA LEU A 983 -3.385 -9.489 5.485 1.00 0.00 C ATOM 639 C LEU A 983 -4.134 -10.754 5.904 1.00 0.00 C ATOM 640 O LEU A 983 -3.852 -11.335 6.952 1.00 0.00 O ATOM 641 CB LEU A 983 -3.910 -8.264 6.252 1.00 0.00 C ATOM 642 CG LEU A 983 -2.820 -7.181 6.340 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.224 -6.891 4.958 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.431 -5.895 6.905 1.00 0.00 C ATOM 0 H LEU A 983 -4.052 -8.469 3.783 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.330 -9.612 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.791 -7.863 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.220 -8.560 7.254 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.025 -7.541 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.456 -6.122 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.781 -7.802 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.010 -6.543 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.662 -5.125 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.232 -5.554 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.834 -6.090 7.899 1.00 0.00 H new ATOM 656 N SER A 984 -5.085 -11.179 5.076 1.00 0.00 N ATOM 657 CA SER A 984 -5.859 -12.380 5.371 1.00 0.00 C ATOM 658 C SER A 984 -5.056 -13.631 5.021 1.00 0.00 C ATOM 659 O SER A 984 -5.507 -14.753 5.248 1.00 0.00 O ATOM 660 CB SER A 984 -7.164 -12.373 4.576 1.00 0.00 C ATOM 661 OG SER A 984 -7.810 -13.632 4.723 1.00 0.00 O ATOM 0 H SER A 984 -5.336 -10.714 4.204 1.00 0.00 H new ATOM 0 HA SER A 984 -6.086 -12.390 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.815 -11.574 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.961 -12.176 3.523 1.00 0.00 H new ATOM 0 HG SER A 984 -7.235 -14.236 5.238 1.00 0.00 H new ATOM 667 N GLY A 985 -3.852 -13.429 4.481 1.00 0.00 N ATOM 668 CA GLY A 985 -2.980 -14.547 4.115 1.00 0.00 C ATOM 669 C GLY A 985 -3.141 -14.943 2.648 1.00 0.00 C ATOM 670 O GLY A 985 -2.882 -16.086 2.277 1.00 0.00 O ATOM 0 H GLY A 985 -3.460 -12.507 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.942 -14.274 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -3.205 -15.405 4.749 1.00 0.00 H new ATOM 674 N ALA A 986 -3.563 -13.995 1.817 1.00 0.00 N ATOM 675 CA ALA A 986 -3.742 -14.272 0.396 1.00 0.00 C ATOM 676 C ALA A 986 -2.407 -14.503 -0.285 1.00 0.00 C ATOM 677 O ALA A 986 -1.397 -13.900 0.080 1.00 0.00 O ATOM 678 CB ALA A 986 -4.436 -13.106 -0.299 1.00 0.00 C ATOM 0 H ALA A 986 -3.785 -13.040 2.098 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.355 -15.170 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.559 -13.335 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.414 -12.943 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.832 -12.206 -0.190 1.00 0.00 H new ATOM 684 N SER A 987 -2.409 -15.372 -1.292 1.00 0.00 N ATOM 685 CA SER A 987 -1.194 -15.667 -2.042 1.00 0.00 C ATOM 686 C SER A 987 -1.221 -14.947 -3.383 1.00 0.00 C ATOM 687 O SER A 987 -0.275 -15.033 -4.167 1.00 0.00 O ATOM 688 CB SER A 987 -1.070 -17.174 -2.267 1.00 0.00 C ATOM 689 OG SER A 987 -2.171 -17.622 -3.045 1.00 0.00 O ATOM 0 H SER A 987 -3.235 -15.882 -1.606 1.00 0.00 H new ATOM 0 HA SER A 987 -0.334 -15.320 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 987 -0.133 -17.402 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 987 -1.049 -17.696 -1.310 1.00 0.00 H new ATOM 0 HG SER A 987 -2.095 -18.588 -3.194 1.00 0.00 H new ATOM 695 N ASP A 988 -2.311 -14.231 -3.638 1.00 0.00 N ATOM 696 CA ASP A 988 -2.455 -13.487 -4.884 1.00 0.00 C ATOM 697 C ASP A 988 -1.175 -12.699 -5.168 1.00 0.00 C ATOM 698 O ASP A 988 -0.479 -12.299 -4.235 1.00 0.00 O ATOM 699 CB ASP A 988 -3.641 -12.526 -4.773 1.00 0.00 C ATOM 700 CG ASP A 988 -4.951 -13.300 -4.855 1.00 0.00 C ATOM 701 OD1 ASP A 988 -5.044 -14.181 -5.694 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.842 -13.000 -4.076 1.00 0.00 O ATOM 0 H ASP A 988 -3.104 -14.150 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.632 -14.185 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.590 -11.981 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.596 -11.786 -5.572 1.00 0.00 H new ATOM 707 N PRO A 989 -0.845 -12.462 -6.414 1.00 0.00 N ATOM 708 CA PRO A 989 0.390 -11.701 -6.773 1.00 0.00 C ATOM 709 C PRO A 989 0.358 -10.290 -6.192 1.00 0.00 C ATOM 710 O PRO A 989 1.391 -9.701 -5.882 1.00 0.00 O ATOM 711 CB PRO A 989 0.383 -11.686 -8.314 1.00 0.00 C ATOM 712 CG PRO A 989 -1.037 -11.954 -8.699 1.00 0.00 C ATOM 713 CD PRO A 989 -1.595 -12.872 -7.614 1.00 0.00 C ATOM 0 HA PRO A 989 1.296 -12.153 -6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.722 -10.725 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.051 -12.446 -8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.608 -11.027 -8.759 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -1.094 -12.427 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.669 -12.737 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.432 -13.923 -7.852 1.00 0.00 H new ATOM 721 N ASP A 990 -0.845 -9.758 -6.046 1.00 0.00 N ATOM 722 CA ASP A 990 -1.011 -8.422 -5.500 1.00 0.00 C ATOM 723 C ASP A 990 -0.695 -8.404 -4.006 1.00 0.00 C ATOM 724 O ASP A 990 -0.217 -7.402 -3.479 1.00 0.00 O ATOM 725 CB ASP A 990 -2.445 -7.939 -5.730 1.00 0.00 C ATOM 726 CG ASP A 990 -2.779 -7.995 -7.217 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.859 -7.921 -8.014 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.951 -8.112 -7.537 1.00 0.00 O ATOM 0 H ASP A 990 -1.715 -10.228 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.317 -7.754 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.142 -8.561 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.558 -6.920 -5.361 1.00 0.00 H new ATOM 733 N SER A 991 -0.975 -9.515 -3.323 1.00 0.00 N ATOM 734 CA SER A 991 -0.719 -9.603 -1.889 1.00 0.00 C ATOM 735 C SER A 991 0.778 -9.639 -1.595 1.00 0.00 C ATOM 736 O SER A 991 1.275 -8.867 -0.775 1.00 0.00 O ATOM 737 CB SER A 991 -1.383 -10.854 -1.315 1.00 0.00 C ATOM 738 OG SER A 991 -0.788 -11.171 -0.063 1.00 0.00 O ATOM 0 H SER A 991 -1.375 -10.357 -3.737 1.00 0.00 H new ATOM 0 HA SER A 991 -1.140 -8.715 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.453 -10.687 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.270 -11.689 -2.006 1.00 0.00 H new ATOM 0 HG SER A 991 -0.923 -12.122 0.132 1.00 0.00 H new ATOM 744 N GLN A 992 1.490 -10.536 -2.268 1.00 0.00 N ATOM 745 CA GLN A 992 2.928 -10.653 -2.060 1.00 0.00 C ATOM 746 C GLN A 992 3.626 -9.374 -2.519 1.00 0.00 C ATOM 747 O GLN A 992 4.509 -8.856 -1.832 1.00 0.00 O ATOM 748 CB GLN A 992 3.482 -11.884 -2.813 1.00 0.00 C ATOM 749 CG GLN A 992 2.563 -12.242 -3.987 1.00 0.00 C ATOM 750 CD GLN A 992 3.314 -13.102 -5.002 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.210 -14.328 -4.977 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.072 -12.526 -5.894 1.00 0.00 N ATOM 0 H GLN A 992 1.102 -11.184 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 992 3.124 -10.791 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.487 -11.674 -3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.561 -12.731 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.687 -12.779 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.202 -11.332 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 992 4.156 -11.510 -5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.580 -13.092 -6.573 1.00 0.00 H new ATOM 761 N ARG A 993 3.207 -8.850 -3.668 1.00 0.00 N ATOM 762 CA ARG A 993 3.788 -7.616 -4.175 1.00 0.00 C ATOM 763 C ARG A 993 3.493 -6.480 -3.206 1.00 0.00 C ATOM 764 O ARG A 993 4.340 -5.623 -2.962 1.00 0.00 O ATOM 765 CB ARG A 993 3.228 -7.293 -5.564 1.00 0.00 C ATOM 766 CG ARG A 993 3.844 -8.249 -6.591 1.00 0.00 C ATOM 767 CD ARG A 993 3.254 -7.967 -7.975 1.00 0.00 C ATOM 768 NE ARG A 993 3.855 -8.850 -8.967 1.00 0.00 N ATOM 769 CZ ARG A 993 3.752 -8.592 -10.267 1.00 0.00 C ATOM 770 NH1 ARG A 993 3.104 -7.537 -10.677 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.299 -9.399 -11.137 1.00 0.00 N ATOM 0 H ARG A 993 2.478 -9.255 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 993 4.867 -7.739 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.142 -7.391 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.454 -6.260 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.927 -8.125 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.647 -9.282 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 993 2.174 -8.112 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 993 3.430 -6.927 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 993 4.363 -9.679 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 993 2.674 -6.907 -9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 993 3.027 -7.342 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.804 -10.226 -10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 993 4.221 -9.202 -12.135 1.00 0.00 H new ATOM 785 N TYR A 994 2.291 -6.491 -2.638 1.00 0.00 N ATOM 786 CA TYR A 994 1.906 -5.471 -1.674 1.00 0.00 C ATOM 787 C TYR A 994 2.845 -5.518 -0.474 1.00 0.00 C ATOM 788 O TYR A 994 3.312 -4.482 0.009 1.00 0.00 O ATOM 789 CB TYR A 994 0.459 -5.690 -1.220 1.00 0.00 C ATOM 790 CG TYR A 994 0.129 -4.720 -0.105 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.099 -3.345 -0.366 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.146 -5.193 1.185 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.204 -2.444 0.661 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.448 -4.293 2.212 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.478 -2.919 1.952 1.00 0.00 C ATOM 796 OH TYR A 994 -0.779 -2.031 2.963 1.00 0.00 O ATOM 0 H TYR A 994 1.573 -7.190 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 994 1.978 -4.491 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.223 -5.544 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.326 -6.716 -0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.310 -2.979 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.125 -6.254 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.227 -1.383 0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.658 -4.659 3.206 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.569 -1.508 2.714 1.00 0.00 H new ATOM 806 N ASN A 995 3.140 -6.727 -0.008 1.00 0.00 N ATOM 807 CA ASN A 995 4.044 -6.883 1.121 1.00 0.00 C ATOM 808 C ASN A 995 5.397 -6.295 0.750 1.00 0.00 C ATOM 809 O ASN A 995 6.033 -5.606 1.550 1.00 0.00 O ATOM 810 CB ASN A 995 4.193 -8.369 1.475 1.00 0.00 C ATOM 811 CG ASN A 995 2.996 -8.839 2.298 1.00 0.00 C ATOM 812 OD1 ASN A 995 3.008 -8.736 3.524 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.958 -9.345 1.692 1.00 0.00 N ATOM 0 H ASN A 995 2.772 -7.599 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 995 3.642 -6.361 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.271 -8.961 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 995 5.114 -8.526 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.153 -9.657 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.952 -9.429 0.675 1.00 0.00 H new ATOM 820 N ALA A 996 5.825 -6.548 -0.482 1.00 0.00 N ATOM 821 CA ALA A 996 7.090 -6.009 -0.947 1.00 0.00 C ATOM 822 C ALA A 996 7.019 -4.491 -0.988 1.00 0.00 C ATOM 823 O ALA A 996 7.949 -3.812 -0.588 1.00 0.00 O ATOM 824 CB ALA A 996 7.409 -6.521 -2.343 1.00 0.00 C ATOM 0 H ALA A 996 5.321 -7.114 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 996 7.871 -6.329 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.361 -6.106 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.474 -7.609 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.621 -6.216 -3.031 1.00 0.00 H new ATOM 830 N TRP A 997 5.904 -3.959 -1.465 1.00 0.00 N ATOM 831 CA TRP A 997 5.759 -2.514 -1.536 1.00 0.00 C ATOM 832 C TRP A 997 6.023 -1.924 -0.158 1.00 0.00 C ATOM 833 O TRP A 997 6.721 -0.918 -0.024 1.00 0.00 O ATOM 834 CB TRP A 997 4.352 -2.137 -2.018 1.00 0.00 C ATOM 835 CG TRP A 997 4.158 -0.657 -1.902 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.765 0.268 -2.681 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.313 0.082 -0.974 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.350 1.528 -2.286 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.453 1.465 -1.238 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.449 -0.309 0.063 1.00 0.00 C ATOM 841 CZ2 TRP A 997 2.763 2.426 -0.503 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.751 0.655 0.807 1.00 0.00 C ATOM 843 CH2 TRP A 997 1.907 2.019 0.524 1.00 0.00 C ATOM 0 H TRP A 997 5.103 -4.493 -1.802 1.00 0.00 H new ATOM 0 HA TRP A 997 6.477 -2.112 -2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.215 -2.451 -3.053 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.602 -2.659 -1.424 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.460 0.058 -3.481 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.668 2.397 -2.716 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.321 -1.357 0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 2.888 3.476 -0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.090 0.344 1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.366 2.755 1.100 1.00 0.00 H new ATOM 854 N LEU A 998 5.492 -2.579 0.868 1.00 0.00 N ATOM 855 CA LEU A 998 5.717 -2.127 2.233 1.00 0.00 C ATOM 856 C LEU A 998 7.207 -2.221 2.536 1.00 0.00 C ATOM 857 O LEU A 998 7.779 -1.347 3.189 1.00 0.00 O ATOM 858 CB LEU A 998 4.925 -2.990 3.225 1.00 0.00 C ATOM 859 CG LEU A 998 3.445 -2.577 3.227 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.634 -3.641 3.974 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.262 -1.205 3.913 1.00 0.00 C ATOM 0 H LEU A 998 4.911 -3.413 0.782 1.00 0.00 H new ATOM 0 HA LEU A 998 5.378 -1.096 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 998 5.016 -4.042 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.342 -2.880 4.226 1.00 0.00 H new ATOM 0 HG LEU A 998 3.096 -2.494 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.582 -3.358 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.747 -4.603 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.995 -3.721 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 998 2.207 -0.931 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.612 -1.264 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.837 -0.450 3.377 1.00 0.00 H new ATOM 873 N GLU A 999 7.828 -3.291 2.050 1.00 0.00 N ATOM 874 CA GLU A 999 9.256 -3.499 2.262 1.00 0.00 C ATOM 875 C GLU A 999 10.063 -2.392 1.575 1.00 0.00 C ATOM 876 O GLU A 999 11.016 -1.860 2.146 1.00 0.00 O ATOM 877 CB GLU A 999 9.672 -4.875 1.718 1.00 0.00 C ATOM 878 CG GLU A 999 11.148 -5.126 2.028 1.00 0.00 C ATOM 879 CD GLU A 999 11.565 -6.497 1.511 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.686 -7.286 1.203 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.758 -6.739 1.429 1.00 0.00 O ATOM 0 H GLU A 999 7.368 -4.024 1.510 1.00 0.00 H new ATOM 0 HA GLU A 999 9.461 -3.465 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 999 9.058 -5.655 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.504 -4.917 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.761 -4.352 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.317 -5.067 3.103 1.00 0.00 H new ATOM 888 N LEU A1000 9.669 -2.030 0.353 1.00 0.00 N ATOM 889 CA LEU A1000 10.372 -0.978 -0.373 1.00 0.00 C ATOM 890 C LEU A1000 10.287 0.304 0.434 1.00 0.00 C ATOM 891 O LEU A1000 11.266 1.038 0.573 1.00 0.00 O ATOM 892 CB LEU A1000 9.729 -0.736 -1.746 1.00 0.00 C ATOM 893 CG LEU A1000 9.819 -1.987 -2.632 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.228 -1.672 -4.010 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.280 -2.439 -2.785 1.00 0.00 C ATOM 0 H LEU A1000 8.881 -2.443 -0.146 1.00 0.00 H new ATOM 0 HA LEU A1000 11.408 -1.283 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.684 -0.454 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.225 0.099 -2.240 1.00 0.00 H new ATOM 0 HG LEU A1000 9.256 -2.794 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.289 -2.557 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.185 -1.377 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.789 -0.858 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.322 -3.327 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.862 -1.640 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.694 -2.672 -1.804 1.00 0.00 H new ATOM 907 N ARG A1001 9.108 0.554 0.981 1.00 0.00 N ATOM 908 CA ARG A1001 8.895 1.732 1.796 1.00 0.00 C ATOM 909 C ARG A1001 9.790 1.704 3.020 1.00 0.00 C ATOM 910 O ARG A1001 10.385 2.713 3.397 1.00 0.00 O ATOM 911 CB ARG A1001 7.434 1.791 2.223 1.00 0.00 C ATOM 912 CG ARG A1001 7.239 2.921 3.224 1.00 0.00 C ATOM 913 CD ARG A1001 5.746 3.177 3.420 1.00 0.00 C ATOM 914 NE ARG A1001 5.536 4.325 4.291 1.00 0.00 N ATOM 915 CZ ARG A1001 4.316 4.798 4.523 1.00 0.00 C ATOM 916 NH1 ARG A1001 3.280 4.233 3.965 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.154 5.829 5.307 1.00 0.00 N ATOM 0 H ARG A1001 8.288 -0.043 0.874 1.00 0.00 H new ATOM 0 HA ARG A1001 9.143 2.617 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.797 1.949 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.136 0.842 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.702 2.662 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.730 3.826 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.271 3.354 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.273 2.295 3.851 1.00 0.00 H new ATOM 0 HE ARG A1001 6.339 4.774 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A1001 3.407 3.428 3.351 1.00 0.00 H new ATOM 0 HH12 ARG A1001 2.344 4.596 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.964 6.272 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A1001 3.218 6.192 5.485 1.00 0.00 H new ATOM 931 N ALA A1002 9.875 0.541 3.639 1.00 0.00 N ATOM 932 CA ALA A1002 10.694 0.389 4.822 1.00 0.00 C ATOM 933 C ALA A1002 12.120 0.783 4.490 1.00 0.00 C ATOM 934 O ALA A1002 12.835 1.346 5.320 1.00 0.00 O ATOM 935 CB ALA A1002 10.641 -1.061 5.313 1.00 0.00 C ATOM 0 H ALA A1002 9.390 -0.306 3.343 1.00 0.00 H new ATOM 0 HA ALA A1002 10.317 1.034 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A1002 11.260 -1.166 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.611 -1.326 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A1002 11.013 -1.724 4.532 1.00 0.00 H new ATOM 941 N LYS A1003 12.521 0.499 3.257 1.00 0.00 N ATOM 942 CA LYS A1003 13.865 0.849 2.812 1.00 0.00 C ATOM 943 C LYS A1003 13.984 2.356 2.618 1.00 0.00 C ATOM 944 O LYS A1003 14.996 2.962 2.967 1.00 0.00 O ATOM 945 CB LYS A1003 14.232 0.131 1.512 1.00 0.00 C ATOM 946 CG LYS A1003 14.300 -1.375 1.763 1.00 0.00 C ATOM 947 CD LYS A1003 14.890 -2.070 0.533 1.00 0.00 C ATOM 948 CE LYS A1003 14.930 -3.581 0.766 1.00 0.00 C ATOM 949 NZ LYS A1003 15.655 -3.867 2.035 1.00 0.00 N ATOM 0 H LYS A1003 11.945 0.034 2.556 1.00 0.00 H new ATOM 0 HA LYS A1003 14.561 0.527 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.492 0.349 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A1003 15.192 0.493 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.914 -1.581 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.304 -1.765 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A1003 14.289 -1.844 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.895 -1.695 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A1003 13.917 -3.979 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.426 -4.076 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 15.981 -4.855 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.475 -3.232 2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.017 -3.714 2.842 1.00 0.00 H new ATOM 963 N ARG A1004 12.937 2.952 2.053 1.00 0.00 N ATOM 964 CA ARG A1004 12.925 4.390 1.806 1.00 0.00 C ATOM 965 C ARG A1004 13.012 5.152 3.123 1.00 0.00 C ATOM 966 O ARG A1004 13.714 6.158 3.224 1.00 0.00 O ATOM 967 CB ARG A1004 11.630 4.781 1.082 1.00 0.00 C ATOM 968 CG ARG A1004 11.576 4.146 -0.317 1.00 0.00 C ATOM 969 CD ARG A1004 12.404 4.965 -1.316 1.00 0.00 C ATOM 970 NE ARG A1004 12.213 4.446 -2.665 1.00 0.00 N ATOM 971 CZ ARG A1004 12.712 5.078 -3.722 1.00 0.00 C ATOM 972 NH1 ARG A1004 13.385 6.186 -3.563 1.00 0.00 N ATOM 973 NH2 ARG A1004 12.530 4.593 -4.921 1.00 0.00 N ATOM 0 H ARG A1004 12.091 2.464 1.759 1.00 0.00 H new ATOM 0 HA ARG A1004 13.785 4.645 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A1004 10.769 4.458 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A1004 11.569 5.866 0.997 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.955 3.125 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.542 4.088 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A1004 12.106 6.013 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A1004 13.459 4.923 -1.047 1.00 0.00 H new ATOM 0 HE ARG A1004 11.687 3.583 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A1004 13.528 6.566 -2.627 1.00 0.00 H new ATOM 0 HH12 ARG A1004 13.768 6.671 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.004 3.728 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A1004 12.914 5.079 -5.731 1.00 0.00 H new ATOM 987 N LEU A1005 12.293 4.666 4.127 1.00 0.00 N ATOM 988 CA LEU A1005 12.293 5.307 5.436 1.00 0.00 C ATOM 989 C LEU A1005 13.688 5.265 6.050 1.00 0.00 C ATOM 990 O LEU A1005 14.152 6.246 6.633 1.00 0.00 O ATOM 991 CB LEU A1005 11.302 4.594 6.359 1.00 0.00 C ATOM 992 CG LEU A1005 9.868 4.822 5.865 1.00 0.00 C ATOM 993 CD1 LEU A1005 8.921 3.889 6.626 1.00 0.00 C ATOM 994 CD2 LEU A1005 9.442 6.291 6.085 1.00 0.00 C ATOM 0 H LEU A1005 11.705 3.835 4.061 1.00 0.00 H new ATOM 0 HA LEU A1005 11.995 6.348 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A1005 11.521 3.527 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A1005 11.408 4.967 7.378 1.00 0.00 H new ATOM 0 HG LEU A1005 9.822 4.608 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A1005 7.899 4.046 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A1005 9.210 2.853 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A1005 8.979 4.103 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A1005 8.422 6.431 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A1005 9.490 6.529 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A1005 10.113 6.951 5.535 1.00 0.00 H new ATOM 1006 N SER A1006 14.353 4.122 5.913 1.00 0.00 N ATOM 1007 CA SER A1006 15.699 3.961 6.457 1.00 0.00 C ATOM 1008 C SER A1006 16.414 2.798 5.778 1.00 0.00 C ATOM 1009 O SER A1006 17.599 2.636 6.020 1.00 0.00 O ATOM 1010 CB SER A1006 15.628 3.712 7.963 1.00 0.00 C ATOM 1011 OG SER A1006 16.942 3.522 8.470 1.00 0.00 O ATOM 0 H SER A1006 13.987 3.299 5.434 1.00 0.00 H new ATOM 0 HA SER A1006 16.259 4.877 6.269 1.00 0.00 H new ATOM 0 HB2 SER A1006 15.152 4.557 8.461 1.00 0.00 H new ATOM 0 HB3 SER A1006 15.016 2.834 8.170 1.00 0.00 H new ATOM 0 HG SER A1006 17.558 3.351 7.727 1.00 0.00 H new TER 1017 SER A1006