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 -138:sc= -1.08! USER MOD Set 1.2: A 974 GLN : amide:sc= -9.18! C(o=-10!,f=-13!) 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= 0.74 K(o=0.74,f=-1) USER MOD Single : A 968 LYS NZ :NH3+ -119:sc= -0.312 (180deg=-3.33!) USER MOD Single : A 970 MET CE :methyl -159:sc= -0.143 (180deg=-1.6!) USER MOD Single : A 973 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -2:sc= 0.76 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -80:sc= -1.1 USER MOD Single : A 992 GLN : amide:sc= -0.0929 X(o=-0.093,f=-0.0091) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN : amide:sc= -0.0401 K(o=-0.04,f=-1.6) USER MOD Single : A1003 LYS NZ :NH3+ -124:sc= 0.803 (180deg=-1.31) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -20.556 12.462 11.779 1.00 0.00 N ATOM 2 CA GLY A 945 -20.264 12.388 10.320 1.00 0.00 C ATOM 3 C GLY A 945 -19.051 11.496 10.085 1.00 0.00 C ATOM 4 O GLY A 945 -18.152 11.841 9.320 1.00 0.00 O ATOM 0 HA2 GLY A 945 -21.128 11.992 9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -20.075 13.387 9.926 1.00 0.00 H new ATOM 7 N ALA A 946 -19.034 10.339 10.746 1.00 0.00 N ATOM 8 CA ALA A 946 -17.928 9.394 10.601 1.00 0.00 C ATOM 9 C ALA A 946 -18.176 8.466 9.422 1.00 0.00 C ATOM 10 O ALA A 946 -17.340 7.624 9.092 1.00 0.00 O ATOM 11 CB ALA A 946 -17.773 8.574 11.877 1.00 0.00 C ATOM 0 H ALA A 946 -19.770 10.035 11.384 1.00 0.00 H new ATOM 0 HA ALA A 946 -17.012 9.956 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -16.947 7.872 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -17.568 9.240 12.715 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -18.693 8.022 12.069 1.00 0.00 H new ATOM 17 N MET A 947 -19.327 8.636 8.788 1.00 0.00 N ATOM 18 CA MET A 947 -19.686 7.818 7.641 1.00 0.00 C ATOM 19 C MET A 947 -18.666 8.029 6.530 1.00 0.00 C ATOM 20 O MET A 947 -18.377 7.119 5.752 1.00 0.00 O ATOM 21 CB MET A 947 -21.083 8.196 7.139 1.00 0.00 C ATOM 22 CG MET A 947 -22.152 7.649 8.090 1.00 0.00 C ATOM 23 SD MET A 947 -22.157 5.837 8.047 1.00 0.00 S ATOM 24 CE MET A 947 -23.463 5.632 6.813 1.00 0.00 C ATOM 0 H MET A 947 -20.026 9.332 9.048 1.00 0.00 H new ATOM 0 HA MET A 947 -19.691 6.769 7.938 1.00 0.00 H new ATOM 0 HB2 MET A 947 -21.170 9.280 7.067 1.00 0.00 H new ATOM 0 HB3 MET A 947 -21.238 7.796 6.137 1.00 0.00 H new ATOM 0 HG2 MET A 947 -21.958 7.996 9.105 1.00 0.00 H new ATOM 0 HG3 MET A 947 -23.133 8.030 7.805 1.00 0.00 H new ATOM 0 HE1 MET A 947 -23.630 4.570 6.633 1.00 0.00 H new ATOM 0 HE2 MET A 947 -24.383 6.087 7.178 1.00 0.00 H new ATOM 0 HE3 MET A 947 -23.164 6.115 5.883 1.00 0.00 H new ATOM 34 N ALA A 948 -18.122 9.240 6.464 1.00 0.00 N ATOM 35 CA ALA A 948 -17.132 9.563 5.445 1.00 0.00 C ATOM 36 C ALA A 948 -15.885 8.705 5.626 1.00 0.00 C ATOM 37 O ALA A 948 -15.388 8.554 6.742 1.00 0.00 O ATOM 38 CB ALA A 948 -16.745 11.038 5.541 1.00 0.00 C ATOM 0 H ALA A 948 -18.348 10.007 7.098 1.00 0.00 H new ATOM 0 HA ALA A 948 -17.567 9.362 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -16.005 11.270 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -17.630 11.657 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -16.324 11.240 6.526 1.00 0.00 H new ATOM 44 N ILE A 949 -15.378 8.160 4.517 1.00 0.00 N ATOM 45 CA ILE A 949 -14.177 7.321 4.538 1.00 0.00 C ATOM 46 C ILE A 949 -14.091 6.474 5.811 1.00 0.00 C ATOM 47 O ILE A 949 -15.080 6.284 6.519 1.00 0.00 O ATOM 48 CB ILE A 949 -12.924 8.197 4.403 1.00 0.00 C ATOM 49 CG1 ILE A 949 -12.870 9.226 5.537 1.00 0.00 C ATOM 50 CG2 ILE A 949 -12.960 8.931 3.063 1.00 0.00 C ATOM 51 CD1 ILE A 949 -11.504 9.916 5.534 1.00 0.00 C ATOM 0 H ILE A 949 -15.783 8.286 3.589 1.00 0.00 H new ATOM 0 HA ILE A 949 -14.238 6.636 3.692 1.00 0.00 H new ATOM 0 HB ILE A 949 -12.041 7.560 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -13.662 9.964 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -13.040 8.736 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -12.071 9.554 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -12.985 8.205 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -13.850 9.559 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -11.465 10.648 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -10.720 9.172 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -11.353 10.419 4.579 1.00 0.00 H new ATOM 63 N ALA A 950 -12.893 5.969 6.088 1.00 0.00 N ATOM 64 CA ALA A 950 -12.658 5.148 7.269 1.00 0.00 C ATOM 65 C ALA A 950 -11.159 4.955 7.471 1.00 0.00 C ATOM 66 O ALA A 950 -10.725 4.235 8.370 1.00 0.00 O ATOM 67 CB ALA A 950 -13.339 3.788 7.114 1.00 0.00 C ATOM 0 H ALA A 950 -12.067 6.115 5.507 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.078 5.653 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.155 3.185 8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.412 3.931 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -12.936 3.277 6.240 1.00 0.00 H new ATOM 73 N LEU A 951 -10.374 5.611 6.619 1.00 0.00 N ATOM 74 CA LEU A 951 -8.916 5.527 6.686 1.00 0.00 C ATOM 75 C LEU A 951 -8.360 6.679 7.516 1.00 0.00 C ATOM 76 O LEU A 951 -8.748 7.834 7.325 1.00 0.00 O ATOM 77 CB LEU A 951 -8.332 5.593 5.268 1.00 0.00 C ATOM 78 CG LEU A 951 -8.462 4.236 4.581 1.00 0.00 C ATOM 79 CD1 LEU A 951 -9.936 3.849 4.459 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.838 4.326 3.187 1.00 0.00 C ATOM 0 H LEU A 951 -10.725 6.209 5.871 1.00 0.00 H new ATOM 0 HA LEU A 951 -8.638 4.583 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -8.853 6.354 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.284 5.888 5.312 1.00 0.00 H new ATOM 0 HG LEU A 951 -7.948 3.478 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.018 2.880 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.380 3.791 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.462 4.600 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.925 3.362 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.358 5.086 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.785 4.595 3.276 1.00 0.00 H new ATOM 92 N ARG A 952 -7.445 6.365 8.427 1.00 0.00 N ATOM 93 CA ARG A 952 -6.841 7.390 9.267 1.00 0.00 C ATOM 94 C ARG A 952 -5.898 8.256 8.439 1.00 0.00 C ATOM 95 O ARG A 952 -5.653 7.974 7.264 1.00 0.00 O ATOM 96 CB ARG A 952 -6.079 6.746 10.427 1.00 0.00 C ATOM 97 CG ARG A 952 -7.076 6.097 11.388 1.00 0.00 C ATOM 98 CD ARG A 952 -6.322 5.433 12.541 1.00 0.00 C ATOM 99 NE ARG A 952 -7.256 4.739 13.421 1.00 0.00 N ATOM 100 CZ ARG A 952 -7.874 5.366 14.417 1.00 0.00 C ATOM 101 NH1 ARG A 952 -7.657 6.636 14.625 1.00 0.00 N ATOM 102 NH2 ARG A 952 -8.703 4.711 15.184 1.00 0.00 N ATOM 0 H ARG A 952 -7.109 5.418 8.601 1.00 0.00 H new ATOM 0 HA ARG A 952 -7.633 8.018 9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.382 5.999 10.049 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.488 7.497 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.764 6.848 11.775 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.677 5.357 10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -5.589 4.728 12.148 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -5.770 6.185 13.105 1.00 0.00 H new ATOM 0 HE ARG A 952 -7.439 3.747 13.268 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -7.013 7.149 14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -8.132 7.116 15.390 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -8.876 3.719 15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -9.178 5.191 15.949 1.00 0.00 H new ATOM 116 N ASP A 953 -5.378 9.317 9.048 1.00 0.00 N ATOM 117 CA ASP A 953 -4.475 10.218 8.342 1.00 0.00 C ATOM 118 C ASP A 953 -3.259 9.463 7.813 1.00 0.00 C ATOM 119 O ASP A 953 -2.833 9.677 6.679 1.00 0.00 O ATOM 120 CB ASP A 953 -4.012 11.334 9.282 1.00 0.00 C ATOM 121 CG ASP A 953 -3.499 10.737 10.587 1.00 0.00 C ATOM 122 OD1 ASP A 953 -2.500 10.036 10.545 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.112 10.990 11.611 1.00 0.00 O ATOM 0 H ASP A 953 -5.564 9.572 10.018 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.014 10.649 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.225 11.919 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -4.838 12.016 9.484 1.00 0.00 H new ATOM 128 N ASP A 954 -2.710 8.572 8.632 1.00 0.00 N ATOM 129 CA ASP A 954 -1.554 7.787 8.221 1.00 0.00 C ATOM 130 C ASP A 954 -1.937 6.855 7.078 1.00 0.00 C ATOM 131 O ASP A 954 -1.174 6.657 6.132 1.00 0.00 O ATOM 132 CB ASP A 954 -1.030 6.970 9.405 1.00 0.00 C ATOM 133 CG ASP A 954 0.289 6.300 9.034 1.00 0.00 C ATOM 134 OD1 ASP A 954 1.235 7.016 8.745 1.00 0.00 O ATOM 135 OD2 ASP A 954 0.335 5.081 9.045 1.00 0.00 O ATOM 0 H ASP A 954 -3.044 8.377 9.576 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.770 8.463 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -0.887 7.618 10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -1.763 6.215 9.690 1.00 0.00 H new ATOM 140 N GLU A 955 -3.129 6.284 7.183 1.00 0.00 N ATOM 141 CA GLU A 955 -3.634 5.366 6.170 1.00 0.00 C ATOM 142 C GLU A 955 -3.925 6.102 4.868 1.00 0.00 C ATOM 143 O GLU A 955 -3.688 5.580 3.779 1.00 0.00 O ATOM 144 CB GLU A 955 -4.907 4.704 6.682 1.00 0.00 C ATOM 145 CG GLU A 955 -4.576 3.834 7.897 1.00 0.00 C ATOM 146 CD GLU A 955 -3.723 2.642 7.470 1.00 0.00 C ATOM 147 OE1 GLU A 955 -3.760 2.304 6.298 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.042 2.093 8.320 1.00 0.00 O ATOM 0 H GLU A 955 -3.767 6.441 7.963 1.00 0.00 H new ATOM 0 HA GLU A 955 -2.875 4.609 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.640 5.463 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.354 4.095 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.043 4.424 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.496 3.484 8.365 1.00 0.00 H new ATOM 155 N TYR A 956 -4.445 7.318 4.988 1.00 0.00 N ATOM 156 CA TYR A 956 -4.769 8.121 3.817 1.00 0.00 C ATOM 157 C TYR A 956 -3.519 8.345 2.975 1.00 0.00 C ATOM 158 O TYR A 956 -3.551 8.224 1.748 1.00 0.00 O ATOM 159 CB TYR A 956 -5.341 9.469 4.260 1.00 0.00 C ATOM 160 CG TYR A 956 -5.571 10.349 3.053 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.785 10.293 2.358 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.562 11.222 2.629 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.990 11.113 1.239 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.766 12.043 1.513 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.982 11.988 0.818 1.00 0.00 C ATOM 166 OH TYR A 956 -6.181 12.795 -0.281 1.00 0.00 O ATOM 0 H TYR A 956 -4.650 7.767 5.880 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.510 7.593 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.278 9.318 4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.654 9.957 4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.563 9.619 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.624 11.262 3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.926 11.069 0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -3.988 12.718 1.188 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.382 13.341 -0.435 1.00 0.00 H new ATOM 176 N ASP A 957 -2.419 8.664 3.645 1.00 0.00 N ATOM 177 CA ASP A 957 -1.155 8.900 2.956 1.00 0.00 C ATOM 178 C ASP A 957 -0.703 7.634 2.237 1.00 0.00 C ATOM 179 O ASP A 957 -0.197 7.689 1.118 1.00 0.00 O ATOM 180 CB ASP A 957 -0.085 9.325 3.962 1.00 0.00 C ATOM 181 CG ASP A 957 1.142 9.856 3.230 1.00 0.00 C ATOM 182 OD1 ASP A 957 1.008 10.214 2.073 1.00 0.00 O ATOM 183 OD2 ASP A 957 2.198 9.895 3.840 1.00 0.00 O ATOM 0 H ASP A 957 -2.375 8.765 4.659 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.299 9.694 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.483 10.093 4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 957 0.194 8.477 4.588 1.00 0.00 H new ATOM 188 N GLU A 958 -0.899 6.496 2.892 1.00 0.00 N ATOM 189 CA GLU A 958 -0.513 5.214 2.313 1.00 0.00 C ATOM 190 C GLU A 958 -1.344 4.908 1.072 1.00 0.00 C ATOM 191 O GLU A 958 -0.823 4.394 0.081 1.00 0.00 O ATOM 192 CB GLU A 958 -0.697 4.102 3.351 1.00 0.00 C ATOM 193 CG GLU A 958 0.334 4.279 4.467 1.00 0.00 C ATOM 194 CD GLU A 958 0.066 3.287 5.594 1.00 0.00 C ATOM 195 OE1 GLU A 958 -0.831 2.473 5.442 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.761 3.358 6.594 1.00 0.00 O ATOM 0 H GLU A 958 -1.320 6.434 3.819 1.00 0.00 H new ATOM 0 HA GLU A 958 0.535 5.268 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -1.706 4.136 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -0.577 3.126 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 958 1.338 4.128 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.293 5.298 4.852 1.00 0.00 H new ATOM 203 N TRP A 959 -2.632 5.235 1.115 1.00 0.00 N ATOM 204 CA TRP A 959 -3.491 4.993 -0.033 1.00 0.00 C ATOM 205 C TRP A 959 -3.025 5.846 -1.212 1.00 0.00 C ATOM 206 O TRP A 959 -2.842 5.354 -2.316 1.00 0.00 O ATOM 207 CB TRP A 959 -4.948 5.313 0.328 1.00 0.00 C ATOM 208 CG TRP A 959 -5.792 5.351 -0.903 1.00 0.00 C ATOM 209 CD1 TRP A 959 -5.897 4.360 -1.816 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.651 6.425 -1.359 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.783 4.762 -2.805 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.275 6.031 -2.564 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.946 7.692 -0.835 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.167 6.869 -3.230 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.843 8.541 -1.500 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.454 8.131 -2.696 1.00 0.00 C ATOM 0 H TRP A 959 -3.095 5.661 1.918 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.431 3.943 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.332 4.561 1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.000 6.273 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.378 3.414 -1.781 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.040 4.191 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.481 8.015 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.633 6.548 -4.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.065 9.515 -1.090 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.145 8.788 -3.203 1.00 0.00 H new ATOM 227 N GLN A 960 -2.812 7.124 -0.970 1.00 0.00 N ATOM 228 CA GLN A 960 -2.352 8.002 -2.035 1.00 0.00 C ATOM 229 C GLN A 960 -0.991 7.545 -2.544 1.00 0.00 C ATOM 230 O GLN A 960 -0.699 7.629 -3.738 1.00 0.00 O ATOM 231 CB GLN A 960 -2.255 9.436 -1.518 1.00 0.00 C ATOM 232 CG GLN A 960 -3.661 9.971 -1.237 1.00 0.00 C ATOM 233 CD GLN A 960 -4.401 10.209 -2.549 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.986 11.047 -3.349 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.472 9.517 -2.821 1.00 0.00 N ATOM 0 H GLN A 960 -2.946 7.574 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.067 7.963 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.654 9.467 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.754 10.066 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.213 9.260 -0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.599 10.901 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.813 8.823 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.968 9.669 -3.699 1.00 0.00 H new ATOM 244 N ASP A 961 -0.162 7.067 -1.628 1.00 0.00 N ATOM 245 CA ASP A 961 1.174 6.609 -1.982 1.00 0.00 C ATOM 246 C ASP A 961 1.125 5.371 -2.877 1.00 0.00 C ATOM 247 O ASP A 961 1.942 5.232 -3.791 1.00 0.00 O ATOM 248 CB ASP A 961 1.970 6.293 -0.714 1.00 0.00 C ATOM 249 CG ASP A 961 3.459 6.206 -1.040 1.00 0.00 C ATOM 250 OD1 ASP A 961 3.778 5.985 -2.195 1.00 0.00 O ATOM 251 OD2 ASP A 961 4.255 6.369 -0.131 1.00 0.00 O ATOM 0 H ASP A 961 -0.389 6.986 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 961 1.664 7.410 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.798 7.066 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 961 1.628 5.351 -0.285 1.00 0.00 H new ATOM 256 N ILE A 962 0.176 4.467 -2.622 1.00 0.00 N ATOM 257 CA ILE A 962 0.080 3.259 -3.434 1.00 0.00 C ATOM 258 C ILE A 962 -0.414 3.631 -4.827 1.00 0.00 C ATOM 259 O ILE A 962 0.040 3.080 -5.828 1.00 0.00 O ATOM 260 CB ILE A 962 -0.842 2.205 -2.760 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.348 0.787 -3.093 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.288 2.336 -3.257 1.00 0.00 C ATOM 263 CD1 ILE A 962 1.011 0.503 -2.426 1.00 0.00 C ATOM 0 H ILE A 962 -0.519 4.547 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 962 1.066 2.803 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.811 2.380 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.082 0.054 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 962 -0.257 0.674 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.910 1.586 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.665 3.331 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.317 2.184 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 962 1.336 -0.506 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.749 1.222 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 962 0.911 0.592 -1.344 1.00 0.00 H new ATOM 275 N ILE A 963 -1.337 4.585 -4.876 1.00 0.00 N ATOM 276 CA ILE A 963 -1.862 5.029 -6.154 1.00 0.00 C ATOM 277 C ILE A 963 -0.715 5.598 -6.976 1.00 0.00 C ATOM 278 O ILE A 963 -0.585 5.314 -8.168 1.00 0.00 O ATOM 279 CB ILE A 963 -2.952 6.078 -5.956 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.157 5.415 -5.278 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.368 6.623 -7.322 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.252 6.446 -4.956 1.00 0.00 C ATOM 0 H ILE A 963 -1.729 5.056 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.310 4.185 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.585 6.894 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.563 4.641 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.836 4.923 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -4.147 7.374 -7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.506 7.076 -7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.748 5.808 -7.938 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -6.093 5.946 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.851 7.205 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.589 6.919 -5.878 1.00 0.00 H new ATOM 294 N ARG A 964 0.132 6.377 -6.313 1.00 0.00 N ATOM 295 CA ARG A 964 1.296 6.955 -6.970 1.00 0.00 C ATOM 296 C ARG A 964 2.188 5.832 -7.496 1.00 0.00 C ATOM 297 O ARG A 964 2.735 5.923 -8.597 1.00 0.00 O ATOM 298 CB ARG A 964 2.076 7.828 -5.975 1.00 0.00 C ATOM 299 CG ARG A 964 3.377 8.329 -6.613 1.00 0.00 C ATOM 300 CD ARG A 964 4.092 9.268 -5.640 1.00 0.00 C ATOM 301 NE ARG A 964 5.358 9.715 -6.208 1.00 0.00 N ATOM 302 CZ ARG A 964 6.257 10.355 -5.465 1.00 0.00 C ATOM 303 NH1 ARG A 964 5.997 10.621 -4.214 1.00 0.00 N ATOM 304 NH2 ARG A 964 7.395 10.719 -5.988 1.00 0.00 N ATOM 0 H ARG A 964 0.035 6.621 -5.327 1.00 0.00 H new ATOM 0 HA ARG A 964 0.973 7.578 -7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.464 8.676 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.301 7.254 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.021 7.486 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.160 8.850 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 964 3.459 10.128 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.270 8.756 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 964 5.558 9.534 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.105 10.338 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 964 6.685 11.112 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 964 7.596 10.513 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 964 8.084 11.210 -5.418 1.00 0.00 H new ATOM 318 N ASP A 965 2.340 4.779 -6.694 1.00 0.00 N ATOM 319 CA ASP A 965 3.178 3.645 -7.077 1.00 0.00 C ATOM 320 C ASP A 965 2.673 2.993 -8.363 1.00 0.00 C ATOM 321 O ASP A 965 3.465 2.639 -9.234 1.00 0.00 O ATOM 322 CB ASP A 965 3.195 2.609 -5.954 1.00 0.00 C ATOM 323 CG ASP A 965 4.167 1.484 -6.298 1.00 0.00 C ATOM 324 OD1 ASP A 965 4.671 1.486 -7.409 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.389 0.638 -5.449 1.00 0.00 O ATOM 0 H ASP A 965 1.896 4.688 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 965 4.188 4.017 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.489 3.081 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.194 2.204 -5.806 1.00 0.00 H new ATOM 330 N TRP A 966 1.355 2.829 -8.482 1.00 0.00 N ATOM 331 CA TRP A 966 0.789 2.209 -9.680 1.00 0.00 C ATOM 332 C TRP A 966 0.836 3.188 -10.851 1.00 0.00 C ATOM 333 O TRP A 966 0.446 2.862 -11.972 1.00 0.00 O ATOM 334 CB TRP A 966 -0.659 1.780 -9.436 1.00 0.00 C ATOM 335 CG TRP A 966 -0.729 0.822 -8.290 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.365 1.062 -7.121 1.00 0.00 C ATOM 337 CD2 TRP A 966 -0.165 -0.519 -8.176 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.232 -0.038 -6.298 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.499 -1.040 -6.902 1.00 0.00 C ATOM 340 CE3 TRP A 966 0.593 -1.324 -9.042 1.00 0.00 C ATOM 341 CZ2 TRP A 966 -0.092 -2.316 -6.502 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.003 -2.608 -8.646 1.00 0.00 C ATOM 343 CH2 TRP A 966 0.662 -3.102 -7.378 1.00 0.00 C ATOM 0 H TRP A 966 0.671 3.110 -7.779 1.00 0.00 H new ATOM 0 HA TRP A 966 1.384 1.327 -9.918 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -1.274 2.655 -9.226 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -1.064 1.314 -10.334 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.893 1.970 -6.871 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.626 -0.103 -5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 966 0.863 -0.953 -10.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.358 -2.691 -5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 1.584 -3.218 -9.322 1.00 0.00 H new ATOM 0 HH2 TRP A 966 0.982 -4.089 -7.079 1.00 0.00 H new ATOM 354 N ARG A 967 1.324 4.391 -10.574 1.00 0.00 N ATOM 355 CA ARG A 967 1.440 5.433 -11.592 1.00 0.00 C ATOM 356 C ARG A 967 0.100 5.727 -12.274 1.00 0.00 C ATOM 357 O ARG A 967 0.072 6.191 -13.413 1.00 0.00 O ATOM 358 CB ARG A 967 2.461 5.031 -12.654 1.00 0.00 C ATOM 359 CG ARG A 967 3.855 4.960 -12.027 1.00 0.00 C ATOM 360 CD ARG A 967 4.871 4.533 -13.089 1.00 0.00 C ATOM 361 NE ARG A 967 4.968 5.552 -14.126 1.00 0.00 N ATOM 362 CZ ARG A 967 5.725 5.368 -15.203 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.397 4.261 -15.346 1.00 0.00 N ATOM 364 NH2 ARG A 967 5.794 6.299 -16.116 1.00 0.00 N ATOM 0 H ARG A 967 1.648 4.672 -9.648 1.00 0.00 H new ATOM 0 HA ARG A 967 1.769 6.337 -11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.194 4.065 -13.082 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.455 5.753 -13.470 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.130 5.931 -11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.858 4.250 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 967 5.847 4.377 -12.629 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.571 3.582 -13.529 1.00 0.00 H new ATOM 0 HE ARG A 967 4.446 6.422 -14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.342 3.535 -14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 967 6.978 4.120 -16.173 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.268 7.165 -16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 967 6.374 6.160 -16.943 1.00 0.00 H new ATOM 378 N LYS A 968 -1.008 5.484 -11.571 1.00 0.00 N ATOM 379 CA LYS A 968 -2.336 5.764 -12.133 1.00 0.00 C ATOM 380 C LYS A 968 -3.300 6.187 -11.030 1.00 0.00 C ATOM 381 O LYS A 968 -2.879 6.745 -10.018 1.00 0.00 O ATOM 382 CB LYS A 968 -2.885 4.551 -12.901 1.00 0.00 C ATOM 383 CG LYS A 968 -3.148 3.369 -11.964 1.00 0.00 C ATOM 384 CD LYS A 968 -3.653 2.188 -12.804 1.00 0.00 C ATOM 385 CE LYS A 968 -3.926 0.976 -11.911 1.00 0.00 C ATOM 386 NZ LYS A 968 -5.053 1.282 -10.987 1.00 0.00 N ATOM 0 H LYS A 968 -1.017 5.100 -10.626 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.236 6.586 -12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.809 4.828 -13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -2.174 4.255 -13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.236 3.095 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.886 3.640 -11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.564 2.472 -13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.913 1.930 -13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -4.170 0.108 -12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -3.032 0.723 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.722 1.220 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -5.405 2.243 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -5.821 0.597 -11.137 1.00 0.00 H new ATOM 400 N GLU A 969 -4.598 5.942 -11.234 1.00 0.00 N ATOM 401 CA GLU A 969 -5.620 6.324 -10.249 1.00 0.00 C ATOM 402 C GLU A 969 -6.453 5.118 -9.821 1.00 0.00 C ATOM 403 O GLU A 969 -6.862 4.308 -10.653 1.00 0.00 O ATOM 404 CB GLU A 969 -6.533 7.399 -10.847 1.00 0.00 C ATOM 405 CG GLU A 969 -7.560 7.844 -9.805 1.00 0.00 C ATOM 406 CD GLU A 969 -8.390 8.998 -10.356 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.989 9.561 -11.361 1.00 0.00 O ATOM 408 OE2 GLU A 969 -9.410 9.309 -9.762 1.00 0.00 O ATOM 0 H GLU A 969 -4.967 5.483 -12.067 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.115 6.718 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.939 8.253 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -7.041 7.008 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -8.210 7.009 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.053 8.153 -8.891 1.00 0.00 H new ATOM 415 N MET A 970 -6.700 5.010 -8.513 1.00 0.00 N ATOM 416 CA MET A 970 -7.491 3.902 -7.962 1.00 0.00 C ATOM 417 C MET A 970 -8.469 4.424 -6.913 1.00 0.00 C ATOM 418 O MET A 970 -8.601 5.635 -6.716 1.00 0.00 O ATOM 419 CB MET A 970 -6.574 2.854 -7.315 1.00 0.00 C ATOM 420 CG MET A 970 -5.293 2.686 -8.139 1.00 0.00 C ATOM 421 SD MET A 970 -4.571 1.061 -7.790 1.00 0.00 S ATOM 422 CE MET A 970 -4.617 1.182 -5.983 1.00 0.00 C ATOM 0 H MET A 970 -6.365 5.674 -7.815 1.00 0.00 H new ATOM 0 HA MET A 970 -8.043 3.440 -8.780 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.323 3.158 -6.299 1.00 0.00 H new ATOM 0 HB3 MET A 970 -7.096 1.900 -7.243 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.515 2.778 -9.202 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.582 3.474 -7.893 1.00 0.00 H new ATOM 0 HE1 MET A 970 -3.901 0.481 -5.553 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.358 2.196 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.619 0.941 -5.628 1.00 0.00 H new ATOM 432 N THR A 971 -9.145 3.497 -6.235 1.00 0.00 N ATOM 433 CA THR A 971 -10.112 3.849 -5.189 1.00 0.00 C ATOM 434 C THR A 971 -9.681 3.270 -3.845 1.00 0.00 C ATOM 435 O THR A 971 -8.905 2.315 -3.791 1.00 0.00 O ATOM 436 CB THR A 971 -11.491 3.298 -5.554 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.390 1.902 -5.791 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.007 4.000 -6.812 1.00 0.00 C ATOM 0 H THR A 971 -9.042 2.494 -6.390 1.00 0.00 H new ATOM 0 HA THR A 971 -10.156 4.935 -5.111 1.00 0.00 H new ATOM 0 HB THR A 971 -12.186 3.478 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 971 -11.926 1.664 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.990 3.606 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.083 5.071 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.316 3.823 -7.637 1.00 0.00 H new ATOM 446 N VAL A 972 -10.198 3.844 -2.764 1.00 0.00 N ATOM 447 CA VAL A 972 -9.867 3.363 -1.426 1.00 0.00 C ATOM 448 C VAL A 972 -10.374 1.935 -1.247 1.00 0.00 C ATOM 449 O VAL A 972 -9.679 1.086 -0.695 1.00 0.00 O ATOM 450 CB VAL A 972 -10.498 4.282 -0.368 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.432 3.622 1.016 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.724 5.600 -0.320 1.00 0.00 C ATOM 0 H VAL A 972 -10.842 4.635 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.784 3.372 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.540 4.462 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -10.882 4.283 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -10.976 2.677 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.391 3.436 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.168 6.256 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.684 5.402 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.767 6.083 -1.296 1.00 0.00 H new ATOM 462 N GLN A 973 -11.594 1.685 -1.709 1.00 0.00 N ATOM 463 CA GLN A 973 -12.197 0.366 -1.590 1.00 0.00 C ATOM 464 C GLN A 973 -11.276 -0.711 -2.154 1.00 0.00 C ATOM 465 O GLN A 973 -11.030 -1.728 -1.508 1.00 0.00 O ATOM 466 CB GLN A 973 -13.522 0.354 -2.346 1.00 0.00 C ATOM 467 CG GLN A 973 -14.567 1.151 -1.563 1.00 0.00 C ATOM 468 CD GLN A 973 -15.875 1.205 -2.344 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.711 0.309 -2.221 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.106 2.209 -3.147 1.00 0.00 N ATOM 0 H GLN A 973 -12.183 2.379 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.364 0.152 -0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.390 0.785 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.863 -0.672 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -14.734 0.690 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.202 2.161 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.413 2.951 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -16.979 2.251 -3.673 1.00 0.00 H new ATOM 479 N GLN A 974 -10.772 -0.480 -3.360 1.00 0.00 N ATOM 480 CA GLN A 974 -9.881 -1.439 -3.993 1.00 0.00 C ATOM 481 C GLN A 974 -8.671 -1.685 -3.089 1.00 0.00 C ATOM 482 O GLN A 974 -8.270 -2.827 -2.862 1.00 0.00 O ATOM 483 CB GLN A 974 -9.426 -0.873 -5.348 1.00 0.00 C ATOM 484 CG GLN A 974 -10.436 -1.226 -6.447 1.00 0.00 C ATOM 485 CD GLN A 974 -11.826 -0.671 -6.129 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.376 0.101 -6.916 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.436 -1.024 -5.034 1.00 0.00 N ATOM 0 H GLN A 974 -10.964 0.355 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.398 -2.385 -4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.319 0.210 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.446 -1.274 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.092 -0.826 -7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.492 -2.309 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.983 -1.663 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.367 -0.661 -4.829 1.00 0.00 H new ATOM 496 N PHE A 975 -8.112 -0.601 -2.570 1.00 0.00 N ATOM 497 CA PHE A 975 -6.959 -0.687 -1.680 1.00 0.00 C ATOM 498 C PHE A 975 -7.306 -1.474 -0.420 1.00 0.00 C ATOM 499 O PHE A 975 -6.537 -2.328 0.026 1.00 0.00 O ATOM 500 CB PHE A 975 -6.507 0.723 -1.301 1.00 0.00 C ATOM 501 CG PHE A 975 -5.366 0.641 -0.316 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.121 0.165 -0.735 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.551 1.037 1.016 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.060 0.087 0.173 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.491 0.959 1.925 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.244 0.484 1.504 1.00 0.00 C ATOM 0 H PHE A 975 -8.437 0.349 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.153 -1.207 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.193 1.267 -2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.338 1.277 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.978 -0.143 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.514 1.403 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.098 -0.280 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.635 1.265 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.424 0.423 2.204 1.00 0.00 H new ATOM 516 N LEU A 976 -8.466 -1.176 0.148 1.00 0.00 N ATOM 517 CA LEU A 976 -8.918 -1.844 1.357 1.00 0.00 C ATOM 518 C LEU A 976 -9.015 -3.350 1.105 1.00 0.00 C ATOM 519 O LEU A 976 -8.590 -4.162 1.925 1.00 0.00 O ATOM 520 CB LEU A 976 -10.301 -1.256 1.750 1.00 0.00 C ATOM 521 CG LEU A 976 -10.413 -0.975 3.257 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.309 -2.284 4.041 1.00 0.00 C ATOM 523 CD2 LEU A 976 -9.322 0.022 3.717 1.00 0.00 C ATOM 0 H LEU A 976 -9.112 -0.473 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.213 -1.684 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.470 -0.332 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.086 -1.952 1.454 1.00 0.00 H new ATOM 0 HG LEU A 976 -11.385 -0.522 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.389 -2.076 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -11.115 -2.953 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.349 -2.756 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -9.423 0.204 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -8.337 -0.397 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -9.437 0.962 3.177 1.00 0.00 H new ATOM 535 N ASP A 977 -9.557 -3.717 -0.042 1.00 0.00 N ATOM 536 CA ASP A 977 -9.678 -5.123 -0.394 1.00 0.00 C ATOM 537 C ASP A 977 -8.294 -5.737 -0.598 1.00 0.00 C ATOM 538 O ASP A 977 -8.064 -6.905 -0.285 1.00 0.00 O ATOM 539 CB ASP A 977 -10.500 -5.269 -1.680 1.00 0.00 C ATOM 540 CG ASP A 977 -10.647 -6.744 -2.045 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.038 -7.563 -1.379 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.364 -7.031 -2.990 1.00 0.00 O ATOM 0 H ASP A 977 -9.918 -3.068 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.182 -5.646 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.484 -4.820 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -10.014 -4.732 -2.494 1.00 0.00 H new ATOM 547 N LEU A 978 -7.373 -4.943 -1.142 1.00 0.00 N ATOM 548 CA LEU A 978 -6.022 -5.428 -1.406 1.00 0.00 C ATOM 549 C LEU A 978 -5.280 -5.786 -0.121 1.00 0.00 C ATOM 550 O LEU A 978 -4.663 -6.846 -0.029 1.00 0.00 O ATOM 551 CB LEU A 978 -5.245 -4.360 -2.185 1.00 0.00 C ATOM 552 CG LEU A 978 -3.783 -4.786 -2.383 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.712 -6.173 -3.035 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.100 -3.763 -3.295 1.00 0.00 C ATOM 0 H LEU A 978 -7.536 -3.971 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.099 -6.340 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.715 -4.196 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.283 -3.412 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.284 -4.831 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.669 -6.460 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.210 -6.902 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.207 -6.145 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.059 -4.049 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.613 -3.733 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.141 -2.777 -2.831 1.00 0.00 H new ATOM 566 N LYS A 979 -5.347 -4.905 0.870 1.00 0.00 N ATOM 567 CA LYS A 979 -4.680 -5.147 2.132 1.00 0.00 C ATOM 568 C LYS A 979 -5.397 -6.265 2.885 1.00 0.00 C ATOM 569 O LYS A 979 -4.771 -7.140 3.463 1.00 0.00 O ATOM 570 CB LYS A 979 -4.640 -3.823 2.928 1.00 0.00 C ATOM 571 CG LYS A 979 -5.851 -3.682 3.844 1.00 0.00 C ATOM 572 CD LYS A 979 -5.830 -2.294 4.478 1.00 0.00 C ATOM 573 CE LYS A 979 -6.868 -2.223 5.597 1.00 0.00 C ATOM 574 NZ LYS A 979 -6.887 -0.848 6.170 1.00 0.00 N ATOM 0 H LYS A 979 -5.855 -4.022 0.820 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.653 -5.478 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -3.727 -3.782 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.607 -2.982 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.771 -3.824 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -5.831 -4.450 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -4.838 -2.080 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.042 -1.536 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -7.854 -2.481 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -6.631 -2.949 6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -7.593 -0.799 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -5.948 -0.619 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.133 -0.165 5.425 1.00 0.00 H new ATOM 588 N GLU A 980 -6.719 -6.242 2.867 1.00 0.00 N ATOM 589 CA GLU A 980 -7.475 -7.275 3.555 1.00 0.00 C ATOM 590 C GLU A 980 -7.030 -8.647 3.055 1.00 0.00 C ATOM 591 O GLU A 980 -6.759 -9.551 3.848 1.00 0.00 O ATOM 592 CB GLU A 980 -8.971 -7.082 3.292 1.00 0.00 C ATOM 593 CG GLU A 980 -9.784 -8.036 4.171 1.00 0.00 C ATOM 594 CD GLU A 980 -9.725 -7.584 5.627 1.00 0.00 C ATOM 595 OE1 GLU A 980 -9.164 -6.531 5.876 1.00 0.00 O ATOM 596 OE2 GLU A 980 -10.249 -8.295 6.470 1.00 0.00 O ATOM 0 H GLU A 980 -7.282 -5.535 2.394 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.293 -7.207 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.255 -6.051 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.191 -7.267 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -10.820 -8.062 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.393 -9.049 4.080 1.00 0.00 H new ATOM 603 N ARG A 981 -6.950 -8.793 1.736 1.00 0.00 N ATOM 604 CA ARG A 981 -6.535 -10.058 1.145 1.00 0.00 C ATOM 605 C ARG A 981 -5.083 -10.383 1.507 1.00 0.00 C ATOM 606 O ARG A 981 -4.767 -11.518 1.864 1.00 0.00 O ATOM 607 CB ARG A 981 -6.670 -9.982 -0.377 1.00 0.00 C ATOM 608 CG ARG A 981 -8.151 -9.982 -0.767 1.00 0.00 C ATOM 609 CD ARG A 981 -8.276 -9.788 -2.281 1.00 0.00 C ATOM 610 NE ARG A 981 -7.845 -8.446 -2.647 1.00 0.00 N ATOM 611 CZ ARG A 981 -7.734 -8.077 -3.918 1.00 0.00 C ATOM 612 NH1 ARG A 981 -7.991 -8.928 -4.874 1.00 0.00 N ATOM 613 NH2 ARG A 981 -7.358 -6.862 -4.213 1.00 0.00 N ATOM 0 H ARG A 981 -7.165 -8.058 1.062 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.177 -10.846 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.186 -9.079 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.163 -10.829 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.617 -10.921 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.677 -9.185 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -7.670 -10.529 -2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.309 -9.945 -2.592 1.00 0.00 H new ATOM 0 HE ARG A 981 -7.624 -7.775 -1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.278 -9.880 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -7.905 -8.641 -5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -7.150 -6.197 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -7.272 -6.577 -5.189 1.00 0.00 H new ATOM 627 N ALA A 982 -4.206 -9.387 1.399 1.00 0.00 N ATOM 628 CA ALA A 982 -2.788 -9.589 1.702 1.00 0.00 C ATOM 629 C ALA A 982 -2.582 -9.956 3.169 1.00 0.00 C ATOM 630 O ALA A 982 -1.916 -10.940 3.491 1.00 0.00 O ATOM 631 CB ALA A 982 -1.994 -8.313 1.350 1.00 0.00 C ATOM 0 H ALA A 982 -4.447 -8.440 1.107 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.422 -10.420 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -0.939 -8.467 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.109 -8.094 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.373 -7.476 1.936 1.00 0.00 H new ATOM 637 N LEU A 983 -3.162 -9.158 4.044 1.00 0.00 N ATOM 638 CA LEU A 983 -3.052 -9.390 5.470 1.00 0.00 C ATOM 639 C LEU A 983 -3.760 -10.692 5.834 1.00 0.00 C ATOM 640 O LEU A 983 -3.470 -11.305 6.861 1.00 0.00 O ATOM 641 CB LEU A 983 -3.661 -8.201 6.226 1.00 0.00 C ATOM 642 CG LEU A 983 -2.644 -7.049 6.343 1.00 0.00 C ATOM 643 CD1 LEU A 983 -1.965 -6.761 4.998 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.372 -5.787 6.816 1.00 0.00 C ATOM 0 H LEU A 983 -3.716 -8.340 3.791 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.003 -9.481 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.554 -7.853 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -3.974 -8.518 7.221 1.00 0.00 H new ATOM 0 HG LEU A 983 -1.875 -7.342 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.254 -5.943 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.439 -7.653 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -2.719 -6.482 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.660 -4.966 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.146 -5.522 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.829 -5.973 7.788 1.00 0.00 H new ATOM 656 N SER A 984 -4.689 -11.109 4.977 1.00 0.00 N ATOM 657 CA SER A 984 -5.429 -12.345 5.205 1.00 0.00 C ATOM 658 C SER A 984 -4.590 -13.554 4.796 1.00 0.00 C ATOM 659 O SER A 984 -5.019 -14.699 4.947 1.00 0.00 O ATOM 660 CB SER A 984 -6.730 -12.333 4.404 1.00 0.00 C ATOM 661 OG SER A 984 -7.333 -13.617 4.472 1.00 0.00 O ATOM 0 H SER A 984 -4.945 -10.612 4.124 1.00 0.00 H new ATOM 0 HA SER A 984 -5.659 -12.416 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.409 -11.578 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.529 -12.067 3.366 1.00 0.00 H new ATOM 0 HG SER A 984 -6.756 -14.223 4.983 1.00 0.00 H new ATOM 667 N GLY A 985 -3.385 -13.296 4.279 1.00 0.00 N ATOM 668 CA GLY A 985 -2.488 -14.375 3.858 1.00 0.00 C ATOM 669 C GLY A 985 -2.702 -14.754 2.393 1.00 0.00 C ATOM 670 O GLY A 985 -2.464 -15.896 2.001 1.00 0.00 O ATOM 0 H GLY A 985 -3.011 -12.357 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.453 -14.066 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.652 -15.250 4.487 1.00 0.00 H new ATOM 674 N ALA A 986 -3.144 -13.791 1.590 1.00 0.00 N ATOM 675 CA ALA A 986 -3.380 -14.038 0.170 1.00 0.00 C ATOM 676 C ALA A 986 -2.076 -14.301 -0.561 1.00 0.00 C ATOM 677 O ALA A 986 -1.034 -13.748 -0.209 1.00 0.00 O ATOM 678 CB ALA A 986 -4.052 -12.829 -0.467 1.00 0.00 C ATOM 0 H ALA A 986 -3.345 -12.839 1.895 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.023 -14.914 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.223 -13.024 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.006 -12.641 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.409 -11.956 -0.358 1.00 0.00 H new ATOM 684 N SER A 987 -2.139 -15.139 -1.595 1.00 0.00 N ATOM 685 CA SER A 987 -0.954 -15.457 -2.387 1.00 0.00 C ATOM 686 C SER A 987 -0.980 -14.715 -3.721 1.00 0.00 C ATOM 687 O SER A 987 -0.017 -14.767 -4.487 1.00 0.00 O ATOM 688 CB SER A 987 -0.875 -16.962 -2.640 1.00 0.00 C ATOM 689 OG SER A 987 -0.589 -17.627 -1.416 1.00 0.00 O ATOM 0 H SER A 987 -2.992 -15.607 -1.902 1.00 0.00 H new ATOM 0 HA SER A 987 -0.076 -15.139 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.817 -17.323 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.100 -17.179 -3.375 1.00 0.00 H new ATOM 0 HG SER A 987 -0.539 -18.593 -1.573 1.00 0.00 H new ATOM 695 N ASP A 988 -2.082 -14.020 -3.996 1.00 0.00 N ATOM 696 CA ASP A 988 -2.206 -13.267 -5.242 1.00 0.00 C ATOM 697 C ASP A 988 -0.925 -12.467 -5.495 1.00 0.00 C ATOM 698 O ASP A 988 -0.270 -12.050 -4.545 1.00 0.00 O ATOM 699 CB ASP A 988 -3.402 -12.314 -5.143 1.00 0.00 C ATOM 700 CG ASP A 988 -4.652 -13.092 -4.742 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.690 -14.284 -4.999 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.552 -12.483 -4.184 1.00 0.00 O ATOM 0 H ASP A 988 -2.893 -13.963 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.361 -13.959 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.197 -11.534 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.563 -11.817 -6.100 1.00 0.00 H new ATOM 707 N PRO A 989 -0.539 -12.249 -6.728 1.00 0.00 N ATOM 708 CA PRO A 989 0.712 -11.490 -7.039 1.00 0.00 C ATOM 709 C PRO A 989 0.665 -10.078 -6.457 1.00 0.00 C ATOM 710 O PRO A 989 1.685 -9.521 -6.045 1.00 0.00 O ATOM 711 CB PRO A 989 0.760 -11.473 -8.582 1.00 0.00 C ATOM 712 CG PRO A 989 -0.644 -11.749 -9.015 1.00 0.00 C ATOM 713 CD PRO A 989 -1.230 -12.676 -7.957 1.00 0.00 C ATOM 0 HA PRO A 989 1.601 -11.945 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.106 -10.509 -8.956 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.447 -12.228 -8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.219 -10.826 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.665 -12.216 -9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.311 -12.562 -7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.037 -13.724 -8.186 1.00 0.00 H new ATOM 721 N ASP A 990 -0.532 -9.513 -6.415 1.00 0.00 N ATOM 722 CA ASP A 990 -0.716 -8.178 -5.872 1.00 0.00 C ATOM 723 C ASP A 990 -0.592 -8.207 -4.351 1.00 0.00 C ATOM 724 O ASP A 990 -0.220 -7.211 -3.731 1.00 0.00 O ATOM 725 CB ASP A 990 -2.093 -7.642 -6.268 1.00 0.00 C ATOM 726 CG ASP A 990 -2.145 -7.398 -7.772 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.088 -7.345 -8.380 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.239 -7.270 -8.294 1.00 0.00 O ATOM 0 H ASP A 990 -1.387 -9.957 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 990 0.055 -7.523 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.866 -8.354 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.299 -6.715 -5.734 1.00 0.00 H new ATOM 733 N SER A 991 -0.917 -9.353 -3.756 1.00 0.00 N ATOM 734 CA SER A 991 -0.848 -9.494 -2.307 1.00 0.00 C ATOM 735 C SER A 991 0.598 -9.540 -1.829 1.00 0.00 C ATOM 736 O SER A 991 0.983 -8.802 -0.922 1.00 0.00 O ATOM 737 CB SER A 991 -1.580 -10.765 -1.875 1.00 0.00 C ATOM 738 OG SER A 991 -2.981 -10.561 -2.018 1.00 0.00 O ATOM 0 H SER A 991 -1.228 -10.189 -4.251 1.00 0.00 H new ATOM 0 HA SER A 991 -1.328 -8.626 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.258 -11.610 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.338 -11.006 -0.840 1.00 0.00 H new ATOM 0 HG SER A 991 -3.318 -10.053 -1.250 1.00 0.00 H new ATOM 744 N GLN A 992 1.405 -10.401 -2.444 1.00 0.00 N ATOM 745 CA GLN A 992 2.803 -10.500 -2.053 1.00 0.00 C ATOM 746 C GLN A 992 3.519 -9.199 -2.407 1.00 0.00 C ATOM 747 O GLN A 992 4.345 -8.708 -1.638 1.00 0.00 O ATOM 748 CB GLN A 992 3.485 -11.702 -2.739 1.00 0.00 C ATOM 749 CG GLN A 992 2.798 -12.008 -4.070 1.00 0.00 C ATOM 750 CD GLN A 992 3.700 -12.884 -4.937 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.321 -13.998 -5.297 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.875 -12.441 -5.288 1.00 0.00 N ATOM 0 H GLN A 992 1.121 -11.026 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 992 2.860 -10.661 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.540 -11.484 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.440 -12.575 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.850 -12.515 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.569 -11.079 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 992 5.183 -11.517 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 992 5.487 -13.019 -5.865 1.00 0.00 H new ATOM 761 N ARG A 993 3.182 -8.638 -3.564 1.00 0.00 N ATOM 762 CA ARG A 993 3.788 -7.384 -3.988 1.00 0.00 C ATOM 763 C ARG A 993 3.436 -6.274 -3.003 1.00 0.00 C ATOM 764 O ARG A 993 4.289 -5.465 -2.642 1.00 0.00 O ATOM 765 CB ARG A 993 3.309 -7.022 -5.404 1.00 0.00 C ATOM 766 CG ARG A 993 4.140 -7.780 -6.460 1.00 0.00 C ATOM 767 CD ARG A 993 5.406 -6.981 -6.800 1.00 0.00 C ATOM 768 NE ARG A 993 6.294 -7.764 -7.655 1.00 0.00 N ATOM 769 CZ ARG A 993 7.600 -7.509 -7.701 1.00 0.00 C ATOM 770 NH1 ARG A 993 8.100 -6.540 -6.985 1.00 0.00 N ATOM 771 NH2 ARG A 993 8.381 -8.226 -8.461 1.00 0.00 N ATOM 0 H ARG A 993 2.501 -9.027 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 993 4.872 -7.499 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.254 -7.272 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.400 -5.947 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.412 -8.766 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.545 -7.936 -7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.133 -6.053 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.926 -6.705 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 993 5.908 -8.517 -8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 993 7.491 -5.978 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 993 9.100 -6.344 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 993 7.991 -8.984 -9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 993 9.381 -8.029 -8.495 1.00 0.00 H new ATOM 785 N TYR A 994 2.185 -6.245 -2.556 1.00 0.00 N ATOM 786 CA TYR A 994 1.761 -5.232 -1.596 1.00 0.00 C ATOM 787 C TYR A 994 2.551 -5.379 -0.300 1.00 0.00 C ATOM 788 O TYR A 994 3.027 -4.393 0.262 1.00 0.00 O ATOM 789 CB TYR A 994 0.259 -5.348 -1.318 1.00 0.00 C ATOM 790 CG TYR A 994 -0.114 -4.418 -0.182 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.071 -3.035 -0.318 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.634 -4.938 1.009 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.266 -2.177 0.733 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.971 -4.077 2.060 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.787 -2.698 1.922 1.00 0.00 C ATOM 796 OH TYR A 994 -1.125 -1.852 2.958 1.00 0.00 O ATOM 0 H TYR A 994 1.456 -6.901 -2.838 1.00 0.00 H new ATOM 0 HA TYR A 994 1.956 -4.247 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.309 -5.093 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.004 -6.376 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.474 -2.632 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.775 -6.003 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.124 -1.112 0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.374 -4.478 2.978 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.473 -2.377 3.709 1.00 0.00 H new ATOM 806 N ASN A 995 2.700 -6.616 0.164 1.00 0.00 N ATOM 807 CA ASN A 995 3.452 -6.859 1.385 1.00 0.00 C ATOM 808 C ASN A 995 4.867 -6.328 1.205 1.00 0.00 C ATOM 809 O ASN A 995 5.423 -5.681 2.096 1.00 0.00 O ATOM 810 CB ASN A 995 3.505 -8.359 1.678 1.00 0.00 C ATOM 811 CG ASN A 995 2.116 -8.878 2.033 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.338 -8.182 2.685 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.757 -10.067 1.633 1.00 0.00 N ATOM 0 H ASN A 995 2.317 -7.451 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 995 2.965 -6.353 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.889 -8.893 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.194 -8.552 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.829 -10.423 1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.405 -10.641 1.093 1.00 0.00 H new ATOM 820 N ALA A 996 5.437 -6.580 0.031 1.00 0.00 N ATOM 821 CA ALA A 996 6.775 -6.094 -0.264 1.00 0.00 C ATOM 822 C ALA A 996 6.774 -4.578 -0.279 1.00 0.00 C ATOM 823 O ALA A 996 7.664 -3.946 0.262 1.00 0.00 O ATOM 824 CB ALA A 996 7.242 -6.583 -1.626 1.00 0.00 C ATOM 0 H ALA A 996 4.998 -7.111 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 996 7.448 -6.471 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.245 -6.206 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.255 -7.673 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.560 -6.221 -2.396 1.00 0.00 H new ATOM 830 N TRP A 997 5.767 -3.993 -0.903 1.00 0.00 N ATOM 831 CA TRP A 997 5.696 -2.545 -0.974 1.00 0.00 C ATOM 832 C TRP A 997 5.806 -1.977 0.432 1.00 0.00 C ATOM 833 O TRP A 997 6.518 -0.999 0.663 1.00 0.00 O ATOM 834 CB TRP A 997 4.382 -2.102 -1.626 1.00 0.00 C ATOM 835 CG TRP A 997 4.281 -0.610 -1.571 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.971 0.243 -2.364 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.459 0.219 -0.699 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.629 1.540 -2.028 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.699 1.578 -1.008 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.536 -0.074 0.324 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.053 2.610 -0.330 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.882 0.963 1.007 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.140 2.302 0.682 1.00 0.00 C ATOM 0 H TRP A 997 5.001 -4.487 -1.360 1.00 0.00 H new ATOM 0 HA TRP A 997 6.517 -2.171 -1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.343 -2.443 -2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.536 -2.555 -1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.673 -0.043 -3.133 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.017 2.369 -2.479 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.331 -1.102 0.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.256 3.640 -0.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.175 0.728 1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.634 3.095 1.213 1.00 0.00 H new ATOM 854 N LEU A 998 5.135 -2.620 1.380 1.00 0.00 N ATOM 855 CA LEU A 998 5.220 -2.182 2.764 1.00 0.00 C ATOM 856 C LEU A 998 6.656 -2.352 3.245 1.00 0.00 C ATOM 857 O LEU A 998 7.190 -1.501 3.959 1.00 0.00 O ATOM 858 CB LEU A 998 4.275 -2.995 3.658 1.00 0.00 C ATOM 859 CG LEU A 998 2.809 -2.623 3.377 1.00 0.00 C ATOM 860 CD1 LEU A 998 1.898 -3.638 4.075 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.500 -1.207 3.912 1.00 0.00 C ATOM 0 H LEU A 998 4.537 -3.431 1.219 1.00 0.00 H new ATOM 0 HA LEU A 998 4.923 -1.135 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.426 -4.060 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.508 -2.809 4.706 1.00 0.00 H new ATOM 0 HG LEU A 998 2.636 -2.636 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.856 -3.384 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.105 -4.637 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.084 -3.616 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.459 -0.959 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.673 -1.179 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.150 -0.483 3.421 1.00 0.00 H new ATOM 873 N GLU A 999 7.278 -3.460 2.841 1.00 0.00 N ATOM 874 CA GLU A 999 8.660 -3.738 3.226 1.00 0.00 C ATOM 875 C GLU A 999 9.591 -2.658 2.672 1.00 0.00 C ATOM 876 O GLU A 999 10.428 -2.115 3.393 1.00 0.00 O ATOM 877 CB GLU A 999 9.077 -5.117 2.692 1.00 0.00 C ATOM 878 CG GLU A 999 10.464 -5.490 3.229 1.00 0.00 C ATOM 879 CD GLU A 999 10.390 -5.775 4.726 1.00 0.00 C ATOM 880 OE1 GLU A 999 9.286 -5.822 5.247 1.00 0.00 O ATOM 881 OE2 GLU A 999 11.436 -5.940 5.331 1.00 0.00 O ATOM 0 H GLU A 999 6.850 -4.174 2.252 1.00 0.00 H new ATOM 0 HA GLU A 999 8.733 -3.737 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.347 -5.869 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.091 -5.105 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 999 10.842 -6.366 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.166 -4.678 3.040 1.00 0.00 H new ATOM 888 N LEU A1000 9.431 -2.342 1.390 1.00 0.00 N ATOM 889 CA LEU A1000 10.261 -1.326 0.752 1.00 0.00 C ATOM 890 C LEU A1000 10.036 0.010 1.438 1.00 0.00 C ATOM 891 O LEU A1000 10.973 0.783 1.654 1.00 0.00 O ATOM 892 CB LEU A1000 9.892 -1.185 -0.733 1.00 0.00 C ATOM 893 CG LEU A1000 10.080 -2.516 -1.481 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.844 -2.293 -2.978 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.491 -3.073 -1.258 1.00 0.00 C ATOM 0 H LEU A1000 8.739 -2.772 0.776 1.00 0.00 H new ATOM 0 HA LEU A1000 11.305 -1.626 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.857 -0.857 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.512 -0.415 -1.193 1.00 0.00 H new ATOM 0 HG LEU A1000 9.361 -3.239 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.976 -3.234 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.830 -1.926 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.558 -1.560 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.600 -4.014 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.227 -2.358 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.651 -3.244 -0.193 1.00 0.00 H new ATOM 907 N ARG A1001 8.782 0.276 1.770 1.00 0.00 N ATOM 908 CA ARG A1001 8.423 1.521 2.427 1.00 0.00 C ATOM 909 C ARG A1001 9.138 1.667 3.761 1.00 0.00 C ATOM 910 O ARG A1001 9.699 2.715 4.068 1.00 0.00 O ATOM 911 CB ARG A1001 6.910 1.552 2.646 1.00 0.00 C ATOM 912 CG ARG A1001 6.535 2.731 3.540 1.00 0.00 C ATOM 913 CD ARG A1001 5.018 2.931 3.513 1.00 0.00 C ATOM 914 NE ARG A1001 4.631 4.009 4.420 1.00 0.00 N ATOM 915 CZ ARG A1001 4.588 5.278 4.017 1.00 0.00 C ATOM 916 NH1 ARG A1001 4.886 5.585 2.783 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.249 6.216 4.857 1.00 0.00 N ATOM 0 H ARG A1001 7.998 -0.353 1.595 1.00 0.00 H new ATOM 0 HA ARG A1001 8.728 2.351 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.397 1.634 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.582 0.619 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.870 2.548 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.038 3.635 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.694 3.166 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.518 2.007 3.802 1.00 0.00 H new ATOM 0 HE ARG A1001 4.388 3.785 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.152 4.852 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A1001 4.852 6.557 2.477 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.017 5.978 5.821 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.216 7.188 4.550 1.00 0.00 H new ATOM 931 N ALA A1002 9.106 0.620 4.557 1.00 0.00 N ATOM 932 CA ALA A1002 9.755 0.664 5.853 1.00 0.00 C ATOM 933 C ALA A1002 11.263 0.773 5.679 1.00 0.00 C ATOM 934 O ALA A1002 11.963 1.319 6.532 1.00 0.00 O ATOM 935 CB ALA A1002 9.411 -0.589 6.659 1.00 0.00 C ATOM 0 H ALA A1002 8.644 -0.262 4.335 1.00 0.00 H new ATOM 0 HA ALA A1002 9.397 1.540 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A1002 9.904 -0.544 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.332 -0.644 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A1002 9.751 -1.473 6.120 1.00 0.00 H new ATOM 941 N LYS A1003 11.756 0.231 4.570 1.00 0.00 N ATOM 942 CA LYS A1003 13.195 0.252 4.290 1.00 0.00 C ATOM 943 C LYS A1003 13.696 1.661 3.969 1.00 0.00 C ATOM 944 O LYS A1003 14.735 2.082 4.477 1.00 0.00 O ATOM 945 CB LYS A1003 13.521 -0.692 3.126 1.00 0.00 C ATOM 946 CG LYS A1003 13.382 -2.160 3.570 1.00 0.00 C ATOM 947 CD LYS A1003 14.662 -2.641 4.263 1.00 0.00 C ATOM 948 CE LYS A1003 14.536 -4.137 4.559 1.00 0.00 C ATOM 949 NZ LYS A1003 13.421 -4.357 5.522 1.00 0.00 N ATOM 0 H LYS A1003 11.190 -0.225 3.854 1.00 0.00 H new ATOM 0 HA LYS A1003 13.706 -0.086 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A1003 12.851 -0.493 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A1003 14.535 -0.507 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A1003 12.535 -2.261 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.173 -2.789 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A1003 15.527 -2.455 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A1003 14.821 -2.086 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A1003 14.349 -4.687 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.470 -4.517 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 13.777 -4.869 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 13.033 -3.439 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 12.673 -4.917 5.065 1.00 0.00 H new ATOM 963 N ARG A1004 12.967 2.386 3.123 1.00 0.00 N ATOM 964 CA ARG A1004 13.380 3.740 2.758 1.00 0.00 C ATOM 965 C ARG A1004 13.262 4.682 3.955 1.00 0.00 C ATOM 966 O ARG A1004 14.096 5.569 4.139 1.00 0.00 O ATOM 967 CB ARG A1004 12.547 4.261 1.584 1.00 0.00 C ATOM 968 CG ARG A1004 11.064 4.186 1.929 1.00 0.00 C ATOM 969 CD ARG A1004 10.237 4.715 0.757 1.00 0.00 C ATOM 970 NE ARG A1004 10.516 6.131 0.540 1.00 0.00 N ATOM 971 CZ ARG A1004 10.033 7.061 1.354 1.00 0.00 C ATOM 972 NH1 ARG A1004 9.290 6.717 2.369 1.00 0.00 N ATOM 973 NH2 ARG A1004 10.298 8.322 1.137 1.00 0.00 N ATOM 0 H ARG A1004 12.103 2.067 2.684 1.00 0.00 H new ATOM 0 HA ARG A1004 14.425 3.704 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A1004 12.825 5.290 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A1004 12.752 3.671 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A1004 10.783 3.156 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.859 4.771 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A1004 10.469 4.149 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A1004 9.175 4.573 0.959 1.00 0.00 H new ATOM 0 HE ARG A1004 11.093 6.411 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A1004 9.080 5.733 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A1004 8.919 7.432 2.995 1.00 0.00 H new ATOM 0 HH21 ARG A1004 10.876 8.592 0.341 1.00 0.00 H new ATOM 0 HH22 ARG A1004 9.926 9.036 1.763 1.00 0.00 H new ATOM 987 N LEU A1005 12.236 4.473 4.773 1.00 0.00 N ATOM 988 CA LEU A1005 12.037 5.303 5.958 1.00 0.00 C ATOM 989 C LEU A1005 13.213 5.137 6.914 1.00 0.00 C ATOM 990 O LEU A1005 13.601 6.075 7.611 1.00 0.00 O ATOM 991 CB LEU A1005 10.737 4.919 6.672 1.00 0.00 C ATOM 992 CG LEU A1005 9.528 5.317 5.814 1.00 0.00 C ATOM 993 CD1 LEU A1005 8.259 4.713 6.425 1.00 0.00 C ATOM 994 CD2 LEU A1005 9.392 6.856 5.745 1.00 0.00 C ATOM 0 H LEU A1005 11.535 3.744 4.641 1.00 0.00 H new ATOM 0 HA LEU A1005 11.971 6.344 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A1005 10.721 3.846 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A1005 10.685 5.415 7.641 1.00 0.00 H new ATOM 0 HG LEU A1005 9.670 4.938 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A1005 7.396 4.992 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A1005 8.349 3.627 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A1005 8.129 5.090 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A1005 8.529 7.118 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A1005 9.258 7.255 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A1005 10.293 7.281 5.303 1.00 0.00 H new ATOM 1006 N SER A1006 13.774 3.931 6.940 1.00 0.00 N ATOM 1007 CA SER A1006 14.912 3.635 7.810 1.00 0.00 C ATOM 1008 C SER A1006 15.770 2.533 7.201 1.00 0.00 C ATOM 1009 O SER A1006 15.216 1.497 6.869 1.00 0.00 O ATOM 1010 CB SER A1006 14.418 3.197 9.190 1.00 0.00 C ATOM 1011 OG SER A1006 13.786 4.295 9.834 1.00 0.00 O ATOM 0 H SER A1006 13.461 3.144 6.371 1.00 0.00 H new ATOM 0 HA SER A1006 15.514 4.538 7.913 1.00 0.00 H new ATOM 0 HB2 SER A1006 13.719 2.367 9.092 1.00 0.00 H new ATOM 0 HB3 SER A1006 15.254 2.840 9.792 1.00 0.00 H new ATOM 0 HG SER A1006 13.467 4.016 10.718 1.00 0.00 H new TER 1017 SER A1006