USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 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 137:sc= -3.57! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.59! C(o=-11!,f=-12!) USER MOD Single : A 947 MET CE :methyl -154:sc= -0.184 (180deg=-1.08) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -0.0541! K(o=-0.054!,f=-1.7) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -178:sc= 0 (180deg=-0.00345) USER MOD Single : A 973 GLN :FLIP amide:sc= -0.272 F(o=-0.87,f=-0.27) USER MOD Single : A 979 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0269) USER MOD Single : A 984 SER OG : rot 12:sc= 0.654! USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -90:sc= -0.623 USER MOD Single : A 992 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN :FLIP amide:sc=-0.00729 F(o=-2,f=-0.0073) USER MOD Single : A1003 LYS NZ :NH3+ -157:sc= -0.165 (180deg=-0.888) USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 945 -17.959 8.872 11.151 1.00 0.00 N ATOM 2 CA GLY A 945 -17.834 7.964 9.975 1.00 0.00 C ATOM 3 C GLY A 945 -18.461 8.622 8.752 1.00 0.00 C ATOM 4 O GLY A 945 -19.562 8.261 8.336 1.00 0.00 O ATOM 0 HA2 GLY A 945 -16.784 7.743 9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 945 -18.327 7.014 10.182 1.00 0.00 H new ATOM 7 N ALA A 946 -17.751 9.586 8.175 1.00 0.00 N ATOM 8 CA ALA A 946 -18.247 10.285 6.994 1.00 0.00 C ATOM 9 C ALA A 946 -18.286 9.340 5.798 1.00 0.00 C ATOM 10 O ALA A 946 -17.407 8.495 5.635 1.00 0.00 O ATOM 11 CB ALA A 946 -17.347 11.481 6.682 1.00 0.00 C ATOM 0 H ALA A 946 -16.837 9.900 8.502 1.00 0.00 H new ATOM 0 HA ALA A 946 -19.258 10.639 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -17.723 11.999 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -17.344 12.165 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -16.331 11.133 6.494 1.00 0.00 H new ATOM 17 N MET A 947 -19.320 9.478 4.974 1.00 0.00 N ATOM 18 CA MET A 947 -19.473 8.620 3.803 1.00 0.00 C ATOM 19 C MET A 947 -18.310 8.796 2.831 1.00 0.00 C ATOM 20 O MET A 947 -17.848 7.828 2.230 1.00 0.00 O ATOM 21 CB MET A 947 -20.791 8.930 3.082 1.00 0.00 C ATOM 22 CG MET A 947 -20.958 10.441 2.917 1.00 0.00 C ATOM 23 SD MET A 947 -22.535 10.792 2.099 1.00 0.00 S ATOM 24 CE MET A 947 -22.143 10.083 0.479 1.00 0.00 C ATOM 0 H MET A 947 -20.060 10.170 5.093 1.00 0.00 H new ATOM 0 HA MET A 947 -19.482 7.587 4.151 1.00 0.00 H new ATOM 0 HB2 MET A 947 -20.802 8.446 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 947 -21.629 8.524 3.649 1.00 0.00 H new ATOM 0 HG2 MET A 947 -20.925 10.929 3.891 1.00 0.00 H new ATOM 0 HG3 MET A 947 -20.134 10.846 2.330 1.00 0.00 H new ATOM 0 HE1 MET A 947 -22.745 10.571 -0.287 1.00 0.00 H new ATOM 0 HE2 MET A 947 -21.086 10.235 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 947 -22.362 9.015 0.487 1.00 0.00 H new ATOM 34 N ALA A 948 -17.857 10.034 2.664 1.00 0.00 N ATOM 35 CA ALA A 948 -16.765 10.319 1.739 1.00 0.00 C ATOM 36 C ALA A 948 -15.575 9.397 1.984 1.00 0.00 C ATOM 37 O ALA A 948 -15.192 8.624 1.108 1.00 0.00 O ATOM 38 CB ALA A 948 -16.324 11.775 1.899 1.00 0.00 C ATOM 0 H ALA A 948 -18.225 10.850 3.152 1.00 0.00 H new ATOM 0 HA ALA A 948 -17.126 10.148 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 948 -15.508 11.986 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 948 -17.164 12.435 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 948 -15.985 11.942 2.921 1.00 0.00 H new ATOM 44 N ILE A 949 -14.988 9.484 3.177 1.00 0.00 N ATOM 45 CA ILE A 949 -13.834 8.654 3.519 1.00 0.00 C ATOM 46 C ILE A 949 -13.874 8.217 4.982 1.00 0.00 C ATOM 47 O ILE A 949 -14.465 8.891 5.826 1.00 0.00 O ATOM 48 CB ILE A 949 -12.539 9.425 3.236 1.00 0.00 C ATOM 49 CG1 ILE A 949 -12.511 10.724 4.052 1.00 0.00 C ATOM 50 CG2 ILE A 949 -12.475 9.766 1.746 1.00 0.00 C ATOM 51 CD1 ILE A 949 -11.129 11.366 3.933 1.00 0.00 C ATOM 0 H ILE A 949 -15.290 10.116 3.918 1.00 0.00 H new ATOM 0 HA ILE A 949 -13.867 7.756 2.902 1.00 0.00 H new ATOM 0 HB ILE A 949 -11.685 8.808 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 949 -13.276 11.411 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 949 -12.739 10.515 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 949 -11.556 10.315 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 949 -12.489 8.846 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 949 -13.334 10.381 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 949 -11.106 12.289 4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 949 -10.374 10.679 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 949 -10.920 11.588 2.887 1.00 0.00 H new ATOM 63 N ALA A 950 -13.239 7.081 5.267 1.00 0.00 N ATOM 64 CA ALA A 950 -13.190 6.535 6.627 1.00 0.00 C ATOM 65 C ALA A 950 -11.745 6.345 7.072 1.00 0.00 C ATOM 66 O ALA A 950 -11.482 5.938 8.205 1.00 0.00 O ATOM 67 CB ALA A 950 -13.920 5.192 6.670 1.00 0.00 C ATOM 0 H ALA A 950 -12.749 6.517 4.573 1.00 0.00 H new ATOM 0 HA ALA A 950 -13.677 7.237 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 950 -13.882 4.789 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 950 -14.960 5.333 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 950 -13.440 4.495 5.984 1.00 0.00 H new ATOM 73 N LEU A 951 -10.814 6.645 6.173 1.00 0.00 N ATOM 74 CA LEU A 951 -9.392 6.511 6.470 1.00 0.00 C ATOM 75 C LEU A 951 -8.903 7.658 7.348 1.00 0.00 C ATOM 76 O LEU A 951 -9.442 8.765 7.312 1.00 0.00 O ATOM 77 CB LEU A 951 -8.587 6.485 5.155 1.00 0.00 C ATOM 78 CG LEU A 951 -8.482 5.052 4.622 1.00 0.00 C ATOM 79 CD1 LEU A 951 -9.870 4.479 4.386 1.00 0.00 C ATOM 80 CD2 LEU A 951 -7.698 5.063 3.307 1.00 0.00 C ATOM 0 H LEU A 951 -11.018 6.983 5.232 1.00 0.00 H new ATOM 0 HA LEU A 951 -9.243 5.577 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -9.069 7.121 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -7.590 6.891 5.323 1.00 0.00 H new ATOM 0 HG LEU A 951 -7.966 4.431 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -9.784 3.461 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.425 4.472 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.398 5.094 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -7.619 4.046 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -8.216 5.688 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -6.699 5.463 3.482 1.00 0.00 H new ATOM 92 N ARG A 952 -7.863 7.376 8.125 1.00 0.00 N ATOM 93 CA ARG A 952 -7.272 8.376 9.003 1.00 0.00 C ATOM 94 C ARG A 952 -6.235 9.170 8.222 1.00 0.00 C ATOM 95 O ARG A 952 -5.958 8.862 7.064 1.00 0.00 O ATOM 96 CB ARG A 952 -6.605 7.698 10.201 1.00 0.00 C ATOM 97 CG ARG A 952 -7.674 7.047 11.082 1.00 0.00 C ATOM 98 CD ARG A 952 -7.002 6.342 12.261 1.00 0.00 C ATOM 99 NE ARG A 952 -8.002 5.694 13.101 1.00 0.00 N ATOM 100 CZ ARG A 952 -7.646 5.029 14.196 1.00 0.00 C ATOM 101 NH1 ARG A 952 -6.392 4.979 14.549 1.00 0.00 N ATOM 102 NH2 ARG A 952 -8.550 4.420 14.914 1.00 0.00 N ATOM 0 H ARG A 952 -7.412 6.462 8.164 1.00 0.00 H new ATOM 0 HA ARG A 952 -8.053 9.043 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.895 6.946 9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -6.040 8.430 10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.371 7.802 11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.255 6.332 10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.291 5.602 11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -6.435 7.063 12.850 1.00 0.00 H new ATOM 0 HE ARG A 952 -8.988 5.752 12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.684 5.450 13.985 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -6.119 4.469 15.389 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -9.531 4.454 14.635 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -8.276 3.910 15.754 1.00 0.00 H new ATOM 116 N ASP A 953 -5.670 10.193 8.845 1.00 0.00 N ATOM 117 CA ASP A 953 -4.676 11.017 8.172 1.00 0.00 C ATOM 118 C ASP A 953 -3.519 10.145 7.674 1.00 0.00 C ATOM 119 O ASP A 953 -3.061 10.296 6.543 1.00 0.00 O ATOM 120 CB ASP A 953 -4.142 12.085 9.142 1.00 0.00 C ATOM 121 CG ASP A 953 -5.062 13.308 9.182 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.869 13.458 8.277 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.940 14.080 10.118 1.00 0.00 O ATOM 0 H ASP A 953 -5.879 10.471 9.804 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.143 11.508 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -4.054 11.660 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -3.141 12.390 8.836 1.00 0.00 H new ATOM 128 N ASP A 954 -3.051 9.240 8.530 1.00 0.00 N ATOM 129 CA ASP A 954 -1.947 8.356 8.175 1.00 0.00 C ATOM 130 C ASP A 954 -2.345 7.410 7.047 1.00 0.00 C ATOM 131 O ASP A 954 -1.595 7.212 6.093 1.00 0.00 O ATOM 132 CB ASP A 954 -1.527 7.544 9.401 1.00 0.00 C ATOM 133 CG ASP A 954 -0.809 8.443 10.404 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.500 9.568 10.044 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.587 7.996 11.515 1.00 0.00 O ATOM 0 H ASP A 954 -3.419 9.101 9.471 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.113 8.968 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.404 7.094 9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.872 6.727 9.099 1.00 0.00 H new ATOM 140 N GLU A 955 -3.531 6.826 7.174 1.00 0.00 N ATOM 141 CA GLU A 955 -4.032 5.888 6.177 1.00 0.00 C ATOM 142 C GLU A 955 -4.281 6.581 4.842 1.00 0.00 C ATOM 143 O GLU A 955 -4.029 6.010 3.779 1.00 0.00 O ATOM 144 CB GLU A 955 -5.340 5.278 6.664 1.00 0.00 C ATOM 145 CG GLU A 955 -5.102 4.491 7.953 1.00 0.00 C ATOM 146 CD GLU A 955 -4.289 3.234 7.663 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.896 2.222 7.353 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.075 3.302 7.759 1.00 0.00 O ATOM 0 H GLU A 955 -4.164 6.986 7.958 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.279 5.113 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.075 6.064 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.752 4.621 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.575 5.114 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.057 4.219 8.403 1.00 0.00 H new ATOM 155 N TYR A 956 -4.786 7.805 4.894 1.00 0.00 N ATOM 156 CA TYR A 956 -5.066 8.549 3.672 1.00 0.00 C ATOM 157 C TYR A 956 -3.773 8.747 2.893 1.00 0.00 C ATOM 158 O TYR A 956 -3.734 8.591 1.669 1.00 0.00 O ATOM 159 CB TYR A 956 -5.697 9.903 4.001 1.00 0.00 C ATOM 160 CG TYR A 956 -6.031 10.622 2.716 1.00 0.00 C ATOM 161 CD1 TYR A 956 -7.244 10.361 2.075 1.00 0.00 C ATOM 162 CD2 TYR A 956 -5.128 11.547 2.164 1.00 0.00 C ATOM 163 CE1 TYR A 956 -7.566 11.021 0.883 1.00 0.00 C ATOM 164 CE2 TYR A 956 -5.449 12.206 0.969 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.667 11.942 0.330 1.00 0.00 C ATOM 166 OH TYR A 956 -6.987 12.596 -0.843 1.00 0.00 O ATOM 0 H TYR A 956 -5.008 8.300 5.757 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.772 7.983 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.598 9.762 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.010 10.502 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.935 9.648 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -4.190 11.749 2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -8.506 10.820 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -4.757 12.917 0.541 1.00 0.00 H new ATOM 0 HH TYR A 956 -6.257 13.201 -1.090 1.00 0.00 H new ATOM 176 N ASP A 957 -2.714 9.069 3.622 1.00 0.00 N ATOM 177 CA ASP A 957 -1.409 9.262 3.012 1.00 0.00 C ATOM 178 C ASP A 957 -0.940 7.947 2.404 1.00 0.00 C ATOM 179 O ASP A 957 -0.283 7.925 1.362 1.00 0.00 O ATOM 180 CB ASP A 957 -0.407 9.736 4.066 1.00 0.00 C ATOM 181 CG ASP A 957 0.895 10.169 3.400 1.00 0.00 C ATOM 182 OD1 ASP A 957 1.023 9.967 2.204 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.741 10.706 4.096 1.00 0.00 O ATOM 0 H ASP A 957 -2.734 9.201 4.633 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.481 10.018 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.829 10.567 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.210 8.934 4.778 1.00 0.00 H new ATOM 188 N GLU A 958 -1.292 6.850 3.071 1.00 0.00 N ATOM 189 CA GLU A 958 -0.923 5.518 2.607 1.00 0.00 C ATOM 190 C GLU A 958 -1.626 5.198 1.291 1.00 0.00 C ATOM 191 O GLU A 958 -1.020 4.643 0.373 1.00 0.00 O ATOM 192 CB GLU A 958 -1.317 4.478 3.665 1.00 0.00 C ATOM 193 CG GLU A 958 -0.613 3.145 3.385 1.00 0.00 C ATOM 194 CD GLU A 958 -1.197 2.496 2.136 1.00 0.00 C ATOM 195 OE1 GLU A 958 -2.368 2.714 1.870 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.465 1.788 1.465 1.00 0.00 O ATOM 0 H GLU A 958 -1.833 6.859 3.936 1.00 0.00 H new ATOM 0 HA GLU A 958 0.155 5.489 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -1.048 4.838 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.398 4.335 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 958 0.456 3.310 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 958 -0.729 2.477 4.239 1.00 0.00 H new ATOM 203 N TRP A 959 -2.909 5.550 1.204 1.00 0.00 N ATOM 204 CA TRP A 959 -3.678 5.290 -0.004 1.00 0.00 C ATOM 205 C TRP A 959 -3.112 6.087 -1.178 1.00 0.00 C ATOM 206 O TRP A 959 -2.877 5.541 -2.249 1.00 0.00 O ATOM 207 CB TRP A 959 -5.151 5.634 0.249 1.00 0.00 C ATOM 208 CG TRP A 959 -5.929 5.591 -1.021 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.042 4.525 -1.841 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.729 6.648 -1.609 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.856 4.866 -2.906 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.305 6.170 -2.804 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.999 7.965 -1.217 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.132 6.974 -3.594 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.825 8.783 -2.003 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.392 8.288 -3.190 1.00 0.00 C ATOM 0 H TRP A 959 -3.430 6.011 1.950 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.608 4.234 -0.263 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.576 4.931 0.965 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.226 6.626 0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.574 3.564 -1.690 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.095 4.235 -3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.569 8.353 -0.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.565 6.586 -4.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.026 9.798 -1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.028 8.922 -3.790 1.00 0.00 H new ATOM 227 N GLN A 960 -2.870 7.373 -0.988 1.00 0.00 N ATOM 228 CA GLN A 960 -2.315 8.169 -2.077 1.00 0.00 C ATOM 229 C GLN A 960 -0.927 7.669 -2.452 1.00 0.00 C ATOM 230 O GLN A 960 -0.559 7.637 -3.630 1.00 0.00 O ATOM 231 CB GLN A 960 -2.225 9.645 -1.677 1.00 0.00 C ATOM 232 CG GLN A 960 -3.627 10.238 -1.542 1.00 0.00 C ATOM 233 CD GLN A 960 -4.301 10.297 -2.910 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.804 10.959 -3.821 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.402 9.624 -3.112 1.00 0.00 N ATOM 0 H GLN A 960 -3.041 7.879 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.980 8.068 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.688 9.742 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.658 10.199 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.223 9.632 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.568 11.238 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.811 9.076 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.853 9.646 -4.027 1.00 0.00 H new ATOM 244 N ASP A 961 -0.159 7.291 -1.442 1.00 0.00 N ATOM 245 CA ASP A 961 1.195 6.808 -1.661 1.00 0.00 C ATOM 246 C ASP A 961 1.201 5.525 -2.488 1.00 0.00 C ATOM 247 O ASP A 961 2.058 5.340 -3.357 1.00 0.00 O ATOM 248 CB ASP A 961 1.876 6.550 -0.315 1.00 0.00 C ATOM 249 CG ASP A 961 2.202 7.873 0.369 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.086 8.900 -0.279 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.559 7.840 1.537 1.00 0.00 O ATOM 0 H ASP A 961 -0.450 7.309 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 961 1.740 7.573 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.224 5.953 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.789 5.974 -0.465 1.00 0.00 H new ATOM 256 N ILE A 962 0.247 4.635 -2.221 1.00 0.00 N ATOM 257 CA ILE A 962 0.198 3.387 -2.963 1.00 0.00 C ATOM 258 C ILE A 962 -0.177 3.691 -4.411 1.00 0.00 C ATOM 259 O ILE A 962 0.337 3.076 -5.344 1.00 0.00 O ATOM 260 CB ILE A 962 -0.799 2.383 -2.306 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.252 0.939 -2.431 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.183 2.461 -2.978 1.00 0.00 C ATOM 263 CD1 ILE A 962 0.661 0.624 -1.243 1.00 0.00 C ATOM 0 H ILE A 962 -0.481 4.753 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 962 1.178 2.910 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.904 2.650 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -1.079 0.229 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.300 0.829 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.859 1.751 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.582 3.470 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.088 2.217 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 962 1.042 -0.393 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 962 1.496 1.325 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 962 0.096 0.715 -0.315 1.00 0.00 H new ATOM 275 N ILE A 963 -1.080 4.653 -4.588 1.00 0.00 N ATOM 276 CA ILE A 963 -1.510 5.029 -5.925 1.00 0.00 C ATOM 277 C ILE A 963 -0.310 5.500 -6.732 1.00 0.00 C ATOM 278 O ILE A 963 -0.132 5.104 -7.885 1.00 0.00 O ATOM 279 CB ILE A 963 -2.547 6.154 -5.838 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.843 5.597 -5.249 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.825 6.727 -7.233 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.808 6.737 -4.878 1.00 0.00 C ATOM 0 H ILE A 963 -1.520 5.177 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 963 -1.959 4.165 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.160 6.949 -5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.319 4.932 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.619 5.001 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.563 7.525 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.902 7.125 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.208 5.938 -7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.723 6.317 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.337 7.386 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.048 7.316 -5.770 1.00 0.00 H new ATOM 294 N ARG A 964 0.527 6.316 -6.112 1.00 0.00 N ATOM 295 CA ARG A 964 1.719 6.802 -6.783 1.00 0.00 C ATOM 296 C ARG A 964 2.600 5.619 -7.181 1.00 0.00 C ATOM 297 O ARG A 964 3.162 5.590 -8.275 1.00 0.00 O ATOM 298 CB ARG A 964 2.505 7.736 -5.858 1.00 0.00 C ATOM 299 CG ARG A 964 3.704 8.315 -6.611 1.00 0.00 C ATOM 300 CD ARG A 964 4.465 9.272 -5.694 1.00 0.00 C ATOM 301 NE ARG A 964 5.062 8.532 -4.588 1.00 0.00 N ATOM 302 CZ ARG A 964 5.692 9.152 -3.598 1.00 0.00 C ATOM 303 NH1 ARG A 964 5.809 10.453 -3.612 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.198 8.459 -2.615 1.00 0.00 N ATOM 0 H ARG A 964 0.405 6.652 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 964 1.422 7.354 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.861 8.541 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.845 7.191 -4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.362 7.512 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.367 8.841 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 964 5.241 9.789 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 964 3.789 10.035 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 964 4.994 7.514 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.416 10.992 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 964 6.293 10.930 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 964 6.109 7.443 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 964 6.683 8.933 -1.853 1.00 0.00 H new ATOM 318 N ASP A 965 2.721 4.653 -6.271 1.00 0.00 N ATOM 319 CA ASP A 965 3.545 3.470 -6.518 1.00 0.00 C ATOM 320 C ASP A 965 3.057 2.655 -7.723 1.00 0.00 C ATOM 321 O ASP A 965 3.862 2.251 -8.562 1.00 0.00 O ATOM 322 CB ASP A 965 3.550 2.582 -5.272 1.00 0.00 C ATOM 323 CG ASP A 965 4.345 1.309 -5.535 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.548 1.411 -5.718 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.740 0.251 -5.550 1.00 0.00 O ATOM 0 H ASP A 965 2.262 4.666 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 965 4.553 3.817 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.985 3.124 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.527 2.329 -4.993 1.00 0.00 H new ATOM 330 N TRP A 966 1.751 2.396 -7.813 1.00 0.00 N ATOM 331 CA TRP A 966 1.235 1.608 -8.936 1.00 0.00 C ATOM 332 C TRP A 966 1.162 2.442 -10.216 1.00 0.00 C ATOM 333 O TRP A 966 0.798 1.935 -11.275 1.00 0.00 O ATOM 334 CB TRP A 966 -0.169 1.065 -8.643 1.00 0.00 C ATOM 335 CG TRP A 966 -0.286 0.514 -7.261 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.124 1.004 -6.323 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.396 -0.627 -6.650 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.012 0.249 -5.180 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.083 -0.764 -5.325 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.371 -1.538 -7.102 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.388 -1.771 -4.478 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.844 -2.554 -6.249 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.352 -2.669 -4.941 1.00 0.00 C ATOM 0 H TRP A 966 1.048 2.709 -7.143 1.00 0.00 H new ATOM 0 HA TRP A 966 1.930 0.779 -9.073 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.900 1.863 -8.777 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.412 0.285 -9.365 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.778 1.854 -6.450 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.549 0.416 -4.329 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.757 -1.457 -8.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 0.008 -1.854 -3.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.590 -3.249 -6.605 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.718 -3.451 -4.292 1.00 0.00 H new ATOM 354 N ARG A 967 1.497 3.721 -10.110 1.00 0.00 N ATOM 355 CA ARG A 967 1.452 4.619 -11.264 1.00 0.00 C ATOM 356 C ARG A 967 0.080 4.585 -11.944 1.00 0.00 C ATOM 357 O ARG A 967 -0.065 5.027 -13.085 1.00 0.00 O ATOM 358 CB ARG A 967 2.524 4.234 -12.286 1.00 0.00 C ATOM 359 CG ARG A 967 3.915 4.457 -11.692 1.00 0.00 C ATOM 360 CD ARG A 967 4.976 4.132 -12.743 1.00 0.00 C ATOM 361 NE ARG A 967 6.309 4.274 -12.171 1.00 0.00 N ATOM 362 CZ ARG A 967 7.377 4.435 -12.946 1.00 0.00 C ATOM 363 NH1 ARG A 967 7.243 4.472 -14.244 1.00 0.00 N ATOM 364 NH2 ARG A 967 8.559 4.562 -12.407 1.00 0.00 N ATOM 0 H ARG A 967 1.802 4.162 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 967 1.639 5.628 -10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.405 3.189 -12.574 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.406 4.830 -13.191 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.020 5.490 -11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 967 4.053 3.826 -10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.836 3.115 -13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.867 4.798 -13.599 1.00 0.00 H new ATOM 0 HE ARG A 967 6.424 4.249 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.318 4.377 -14.664 1.00 0.00 H new ATOM 0 HH12 ARG A 967 8.063 4.596 -14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.662 4.538 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 967 9.379 4.686 -13.000 1.00 0.00 H new ATOM 378 N LYS A 968 -0.928 4.080 -11.237 1.00 0.00 N ATOM 379 CA LYS A 968 -2.295 4.022 -11.775 1.00 0.00 C ATOM 380 C LYS A 968 -3.287 4.349 -10.664 1.00 0.00 C ATOM 381 O LYS A 968 -3.006 4.124 -9.488 1.00 0.00 O ATOM 382 CB LYS A 968 -2.593 2.644 -12.388 1.00 0.00 C ATOM 383 CG LYS A 968 -2.556 1.564 -11.307 1.00 0.00 C ATOM 384 CD LYS A 968 -2.861 0.187 -11.912 1.00 0.00 C ATOM 385 CE LYS A 968 -4.351 0.064 -12.250 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.702 -1.376 -12.403 1.00 0.00 N ATOM 0 H LYS A 968 -0.830 3.705 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.393 4.758 -12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.572 2.655 -12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.861 2.417 -13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.575 1.550 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.283 1.795 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -2.265 0.039 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.576 -0.596 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -4.953 0.516 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.573 0.604 -13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -5.712 -1.465 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -4.135 -1.792 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -4.504 -1.878 -11.514 1.00 0.00 H new ATOM 400 N GLU A 969 -4.429 4.912 -11.037 1.00 0.00 N ATOM 401 CA GLU A 969 -5.431 5.302 -10.051 1.00 0.00 C ATOM 402 C GLU A 969 -6.292 4.122 -9.597 1.00 0.00 C ATOM 403 O GLU A 969 -6.830 3.373 -10.412 1.00 0.00 O ATOM 404 CB GLU A 969 -6.333 6.388 -10.640 1.00 0.00 C ATOM 405 CG GLU A 969 -7.262 6.931 -9.553 1.00 0.00 C ATOM 406 CD GLU A 969 -8.141 8.039 -10.124 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.718 7.828 -11.176 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.215 9.087 -9.503 1.00 0.00 O ATOM 0 H GLU A 969 -4.684 5.108 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.899 5.678 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.726 7.195 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.920 5.980 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -7.885 6.127 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -6.674 7.315 -8.719 1.00 0.00 H new ATOM 415 N MET A 970 -6.446 4.005 -8.278 1.00 0.00 N ATOM 416 CA MET A 970 -7.275 2.961 -7.674 1.00 0.00 C ATOM 417 C MET A 970 -8.071 3.589 -6.536 1.00 0.00 C ATOM 418 O MET A 970 -7.581 4.500 -5.863 1.00 0.00 O ATOM 419 CB MET A 970 -6.413 1.813 -7.131 1.00 0.00 C ATOM 420 CG MET A 970 -5.194 2.382 -6.413 1.00 0.00 C ATOM 421 SD MET A 970 -4.223 1.029 -5.702 1.00 0.00 S ATOM 422 CE MET A 970 -5.123 0.895 -4.138 1.00 0.00 C ATOM 0 H MET A 970 -6.003 4.627 -7.602 1.00 0.00 H new ATOM 0 HA MET A 970 -7.941 2.546 -8.430 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.997 1.199 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.096 1.165 -7.948 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.583 2.955 -7.111 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.509 3.069 -5.628 1.00 0.00 H new ATOM 0 HE1 MET A 970 -4.660 0.128 -3.517 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.092 1.852 -3.617 1.00 0.00 H new ATOM 0 HE3 MET A 970 -6.160 0.624 -4.337 1.00 0.00 H new ATOM 432 N THR A 971 -9.298 3.132 -6.332 1.00 0.00 N ATOM 433 CA THR A 971 -10.138 3.702 -5.284 1.00 0.00 C ATOM 434 C THR A 971 -9.752 3.194 -3.900 1.00 0.00 C ATOM 435 O THR A 971 -9.030 2.210 -3.751 1.00 0.00 O ATOM 436 CB THR A 971 -11.606 3.361 -5.542 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.770 1.950 -5.522 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.036 3.909 -6.905 1.00 0.00 C ATOM 0 H THR A 971 -9.731 2.380 -6.868 1.00 0.00 H new ATOM 0 HA THR A 971 -9.989 4.781 -5.308 1.00 0.00 H new ATOM 0 HB THR A 971 -12.224 3.813 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.581 1.722 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.083 3.663 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.911 4.992 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.421 3.464 -7.687 1.00 0.00 H new ATOM 446 N VAL A 972 -10.279 3.875 -2.895 1.00 0.00 N ATOM 447 CA VAL A 972 -10.048 3.513 -1.508 1.00 0.00 C ATOM 448 C VAL A 972 -10.624 2.124 -1.234 1.00 0.00 C ATOM 449 O VAL A 972 -10.011 1.303 -0.555 1.00 0.00 O ATOM 450 CB VAL A 972 -10.720 4.564 -0.608 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.888 4.030 0.824 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.856 5.836 -0.580 1.00 0.00 C ATOM 0 H VAL A 972 -10.877 4.692 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.979 3.487 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.707 4.790 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.365 4.790 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.508 3.134 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.910 3.787 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.329 6.583 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.868 5.596 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.757 6.231 -1.591 1.00 0.00 H new ATOM 462 N GLN A 973 -11.813 1.871 -1.760 1.00 0.00 N ATOM 463 CA GLN A 973 -12.453 0.585 -1.552 1.00 0.00 C ATOM 464 C GLN A 973 -11.525 -0.538 -2.004 1.00 0.00 C ATOM 465 O GLN A 973 -11.407 -1.566 -1.334 1.00 0.00 O ATOM 466 CB GLN A 973 -13.767 0.524 -2.333 1.00 0.00 C ATOM 467 CG GLN A 973 -14.631 -0.612 -1.790 1.00 0.00 C ATOM 468 CD GLN A 973 -15.203 -0.222 -0.434 1.00 0.00 C ATOM 469 OE1 GLN A 973 -15.715 0.967 -0.273 1.00 0.00 O flip ATOM 470 NE2 GLN A 973 -15.179 -1.020 0.502 1.00 0.00 N flip ATOM 0 H GLN A 973 -12.347 2.530 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.666 0.462 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.298 1.472 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.565 0.367 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -15.440 -0.831 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.036 -1.521 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.777 -1.948 0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -15.561 -0.753 1.410 1.00 0.00 H new ATOM 479 N GLN A 974 -10.858 -0.333 -3.139 1.00 0.00 N ATOM 480 CA GLN A 974 -9.933 -1.330 -3.657 1.00 0.00 C ATOM 481 C GLN A 974 -8.804 -1.556 -2.655 1.00 0.00 C ATOM 482 O GLN A 974 -8.351 -2.682 -2.468 1.00 0.00 O ATOM 483 CB GLN A 974 -9.362 -0.854 -5.004 1.00 0.00 C ATOM 484 CG GLN A 974 -10.313 -1.211 -6.154 1.00 0.00 C ATOM 485 CD GLN A 974 -11.754 -0.828 -5.829 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.306 -1.251 -4.812 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.407 -0.061 -6.655 1.00 0.00 N ATOM 0 H GLN A 974 -10.942 0.508 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.461 -2.271 -3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.205 0.224 -4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.389 -1.314 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.995 -0.699 -7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.257 -2.281 -6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.949 0.289 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.376 0.190 -6.460 1.00 0.00 H new ATOM 496 N PHE A 975 -8.359 -0.482 -2.004 1.00 0.00 N ATOM 497 CA PHE A 975 -7.293 -0.595 -1.010 1.00 0.00 C ATOM 498 C PHE A 975 -7.744 -1.505 0.129 1.00 0.00 C ATOM 499 O PHE A 975 -6.988 -2.359 0.591 1.00 0.00 O ATOM 500 CB PHE A 975 -6.911 0.789 -0.468 1.00 0.00 C ATOM 501 CG PHE A 975 -5.909 0.644 0.656 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.599 0.234 0.378 1.00 0.00 C ATOM 503 CD2 PHE A 975 -6.285 0.930 1.977 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.669 0.108 1.415 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.355 0.801 3.014 1.00 0.00 C ATOM 506 CZ PHE A 975 -4.045 0.389 2.734 1.00 0.00 C ATOM 0 H PHE A 975 -8.714 0.464 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.414 -1.029 -1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.488 1.398 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.801 1.307 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.307 0.015 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -7.293 1.250 2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.659 -0.207 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.647 1.019 4.031 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.327 0.288 3.534 1.00 0.00 H new ATOM 516 N LEU A 976 -8.985 -1.322 0.574 1.00 0.00 N ATOM 517 CA LEU A 976 -9.523 -2.144 1.657 1.00 0.00 C ATOM 518 C LEU A 976 -9.564 -3.612 1.224 1.00 0.00 C ATOM 519 O LEU A 976 -9.225 -4.507 1.991 1.00 0.00 O ATOM 520 CB LEU A 976 -10.949 -1.672 2.040 1.00 0.00 C ATOM 521 CG LEU A 976 -10.943 -0.590 3.145 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.253 -1.109 4.425 1.00 0.00 C ATOM 523 CD2 LEU A 976 -10.252 0.693 2.647 1.00 0.00 C ATOM 0 H LEU A 976 -9.630 -0.622 0.208 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.874 -2.041 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -11.447 -1.278 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.532 -2.528 2.379 1.00 0.00 H new ATOM 0 HG LEU A 976 -11.979 -0.355 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.263 -0.328 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -10.786 -1.984 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.222 -1.381 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -10.259 1.441 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -9.222 0.467 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -10.785 1.080 1.779 1.00 0.00 H new ATOM 535 N ASP A 977 -9.986 -3.856 -0.004 1.00 0.00 N ATOM 536 CA ASP A 977 -10.054 -5.221 -0.502 1.00 0.00 C ATOM 537 C ASP A 977 -8.651 -5.802 -0.659 1.00 0.00 C ATOM 538 O ASP A 977 -8.410 -6.980 -0.379 1.00 0.00 O ATOM 539 CB ASP A 977 -10.774 -5.253 -1.851 1.00 0.00 C ATOM 540 CG ASP A 977 -10.883 -6.690 -2.349 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.293 -7.558 -1.727 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.559 -6.903 -3.341 1.00 0.00 O ATOM 0 H ASP A 977 -10.283 -3.140 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.609 -5.823 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.768 -4.817 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -10.231 -4.648 -2.577 1.00 0.00 H new ATOM 547 N LEU A 978 -7.733 -4.963 -1.131 1.00 0.00 N ATOM 548 CA LEU A 978 -6.355 -5.383 -1.359 1.00 0.00 C ATOM 549 C LEU A 978 -5.651 -5.752 -0.059 1.00 0.00 C ATOM 550 O LEU A 978 -4.962 -6.771 0.007 1.00 0.00 O ATOM 551 CB LEU A 978 -5.591 -4.262 -2.080 1.00 0.00 C ATOM 552 CG LEU A 978 -4.068 -4.582 -2.143 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.504 -4.197 -3.516 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.321 -3.786 -1.065 1.00 0.00 C ATOM 0 H LEU A 978 -7.919 -3.987 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.372 -6.277 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.983 -4.139 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.747 -3.317 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.933 -5.651 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.439 -4.425 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.020 -4.762 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.652 -3.130 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.257 -4.015 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.471 -2.719 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.704 -4.057 -0.081 1.00 0.00 H new ATOM 566 N LYS A 979 -5.819 -4.928 0.969 1.00 0.00 N ATOM 567 CA LYS A 979 -5.185 -5.199 2.240 1.00 0.00 C ATOM 568 C LYS A 979 -5.838 -6.421 2.873 1.00 0.00 C ATOM 569 O LYS A 979 -5.164 -7.304 3.372 1.00 0.00 O ATOM 570 CB LYS A 979 -5.286 -3.952 3.144 1.00 0.00 C ATOM 571 CG LYS A 979 -6.584 -3.963 3.952 1.00 0.00 C ATOM 572 CD LYS A 979 -6.724 -2.654 4.728 1.00 0.00 C ATOM 573 CE LYS A 979 -7.744 -2.837 5.861 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.076 -3.503 7.014 1.00 0.00 N ATOM 0 H LYS A 979 -6.383 -4.078 0.942 1.00 0.00 H new ATOM 0 HA LYS A 979 -4.126 -5.418 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.432 -3.920 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -5.242 -3.051 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.436 -4.094 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.586 -4.807 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.759 -2.357 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.046 -1.855 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.145 -1.870 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -8.586 -3.437 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -7.772 -4.072 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -6.315 -4.120 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -6.674 -2.782 7.646 1.00 0.00 H new ATOM 588 N GLU A 980 -7.163 -6.470 2.840 1.00 0.00 N ATOM 589 CA GLU A 980 -7.868 -7.601 3.414 1.00 0.00 C ATOM 590 C GLU A 980 -7.286 -8.901 2.870 1.00 0.00 C ATOM 591 O GLU A 980 -6.923 -9.797 3.637 1.00 0.00 O ATOM 592 CB GLU A 980 -9.357 -7.514 3.073 1.00 0.00 C ATOM 593 CG GLU A 980 -10.114 -8.667 3.742 1.00 0.00 C ATOM 594 CD GLU A 980 -11.602 -8.563 3.426 1.00 0.00 C ATOM 595 OE1 GLU A 980 -12.011 -7.531 2.920 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.313 -9.514 3.706 1.00 0.00 O ATOM 0 H GLU A 980 -7.760 -5.752 2.429 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.751 -7.583 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.761 -6.559 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.495 -7.556 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.724 -9.622 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.959 -8.638 4.821 1.00 0.00 H new ATOM 603 N ARG A 981 -7.185 -8.996 1.549 1.00 0.00 N ATOM 604 CA ARG A 981 -6.637 -10.198 0.932 1.00 0.00 C ATOM 605 C ARG A 981 -5.167 -10.402 1.308 1.00 0.00 C ATOM 606 O ARG A 981 -4.762 -11.513 1.652 1.00 0.00 O ATOM 607 CB ARG A 981 -6.771 -10.110 -0.596 1.00 0.00 C ATOM 608 CG ARG A 981 -8.245 -10.266 -1.021 1.00 0.00 C ATOM 609 CD ARG A 981 -8.612 -11.752 -1.154 1.00 0.00 C ATOM 610 NE ARG A 981 -7.852 -12.373 -2.232 1.00 0.00 N ATOM 611 CZ ARG A 981 -7.987 -13.669 -2.497 1.00 0.00 C ATOM 612 NH1 ARG A 981 -8.802 -14.393 -1.780 1.00 0.00 N ATOM 613 NH2 ARG A 981 -7.310 -14.220 -3.466 1.00 0.00 N ATOM 0 H ARG A 981 -7.470 -8.268 0.894 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.204 -11.052 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.385 -9.152 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.167 -10.887 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.894 -9.789 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.412 -9.758 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.410 -12.268 -0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.680 -11.853 -1.349 1.00 0.00 H new ATOM 0 HE ARG A 981 -7.210 -11.808 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -9.331 -13.964 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -8.910 -15.388 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -6.671 -13.656 -4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -7.419 -15.215 -3.663 1.00 0.00 H new ATOM 627 N ALA A 982 -4.371 -9.341 1.241 1.00 0.00 N ATOM 628 CA ALA A 982 -2.948 -9.451 1.572 1.00 0.00 C ATOM 629 C ALA A 982 -2.750 -9.865 3.023 1.00 0.00 C ATOM 630 O ALA A 982 -2.023 -10.814 3.319 1.00 0.00 O ATOM 631 CB ALA A 982 -2.248 -8.102 1.324 1.00 0.00 C ATOM 0 H ALA A 982 -4.676 -8.408 0.966 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.511 -10.218 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.190 -8.190 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.353 -7.825 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.705 -7.335 1.949 1.00 0.00 H new ATOM 637 N LEU A 983 -3.392 -9.138 3.916 1.00 0.00 N ATOM 638 CA LEU A 983 -3.276 -9.413 5.329 1.00 0.00 C ATOM 639 C LEU A 983 -3.867 -10.786 5.645 1.00 0.00 C ATOM 640 O LEU A 983 -3.511 -11.408 6.645 1.00 0.00 O ATOM 641 CB LEU A 983 -3.984 -8.310 6.145 1.00 0.00 C ATOM 642 CG LEU A 983 -3.027 -7.129 6.392 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.448 -6.620 5.070 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.799 -5.998 7.077 1.00 0.00 C ATOM 0 H LEU A 983 -3.999 -8.352 3.685 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.222 -9.420 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.869 -7.964 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.325 -8.715 7.097 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.206 -7.463 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.774 -5.786 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.898 -7.424 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.259 -6.288 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.129 -5.157 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.620 -5.678 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.198 -6.353 8.027 1.00 0.00 H new ATOM 656 N SER A 984 -4.773 -11.250 4.788 1.00 0.00 N ATOM 657 CA SER A 984 -5.405 -12.549 4.993 1.00 0.00 C ATOM 658 C SER A 984 -4.472 -13.677 4.550 1.00 0.00 C ATOM 659 O SER A 984 -4.807 -14.854 4.680 1.00 0.00 O ATOM 660 CB SER A 984 -6.711 -12.620 4.201 1.00 0.00 C ATOM 661 OG SER A 984 -7.032 -13.979 3.935 1.00 0.00 O ATOM 0 H SER A 984 -5.083 -10.752 3.954 1.00 0.00 H new ATOM 0 HA SER A 984 -5.617 -12.668 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.516 -12.149 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.612 -12.069 3.266 1.00 0.00 H new ATOM 0 HG SER A 984 -6.459 -14.562 4.475 1.00 0.00 H new ATOM 667 N GLY A 985 -3.295 -13.306 4.037 1.00 0.00 N ATOM 668 CA GLY A 985 -2.308 -14.292 3.591 1.00 0.00 C ATOM 669 C GLY A 985 -2.444 -14.602 2.102 1.00 0.00 C ATOM 670 O GLY A 985 -2.059 -15.682 1.651 1.00 0.00 O ATOM 0 H GLY A 985 -3.004 -12.335 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.304 -13.918 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.428 -15.211 4.165 1.00 0.00 H new ATOM 674 N ALA A 986 -2.988 -13.658 1.338 1.00 0.00 N ATOM 675 CA ALA A 986 -3.159 -13.862 -0.099 1.00 0.00 C ATOM 676 C ALA A 986 -1.819 -13.955 -0.806 1.00 0.00 C ATOM 677 O ALA A 986 -0.856 -13.289 -0.426 1.00 0.00 O ATOM 678 CB ALA A 986 -3.936 -12.704 -0.713 1.00 0.00 C ATOM 0 H ALA A 986 -3.314 -12.755 1.683 1.00 0.00 H new ATOM 0 HA ALA A 986 -3.705 -14.797 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.054 -12.872 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -4.918 -12.637 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.392 -11.774 -0.550 1.00 0.00 H new ATOM 684 N SER A 987 -1.772 -14.770 -1.856 1.00 0.00 N ATOM 685 CA SER A 987 -0.551 -14.933 -2.642 1.00 0.00 C ATOM 686 C SER A 987 -0.716 -14.283 -4.008 1.00 0.00 C ATOM 687 O SER A 987 0.195 -14.317 -4.836 1.00 0.00 O ATOM 688 CB SER A 987 -0.220 -16.417 -2.803 1.00 0.00 C ATOM 689 OG SER A 987 -1.244 -17.050 -3.559 1.00 0.00 O ATOM 0 H SER A 987 -2.562 -15.327 -2.182 1.00 0.00 H new ATOM 0 HA SER A 987 0.270 -14.445 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 987 0.742 -16.534 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.130 -16.889 -1.825 1.00 0.00 H new ATOM 0 HG SER A 987 -1.032 -18.001 -3.665 1.00 0.00 H new ATOM 695 N ASP A 988 -1.875 -13.664 -4.233 1.00 0.00 N ATOM 696 CA ASP A 988 -2.121 -12.980 -5.498 1.00 0.00 C ATOM 697 C ASP A 988 -0.921 -12.087 -5.801 1.00 0.00 C ATOM 698 O ASP A 988 -0.259 -11.628 -4.874 1.00 0.00 O ATOM 699 CB ASP A 988 -3.386 -12.127 -5.388 1.00 0.00 C ATOM 700 CG ASP A 988 -4.627 -13.013 -5.453 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.649 -14.019 -4.762 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.535 -12.673 -6.192 1.00 0.00 O ATOM 0 H ASP A 988 -2.646 -13.623 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.259 -13.708 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.377 -11.569 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.411 -11.394 -6.195 1.00 0.00 H new ATOM 707 N PRO A 989 -0.608 -11.838 -7.044 1.00 0.00 N ATOM 708 CA PRO A 989 0.572 -10.994 -7.389 1.00 0.00 C ATOM 709 C PRO A 989 0.483 -9.620 -6.731 1.00 0.00 C ATOM 710 O PRO A 989 1.467 -9.110 -6.203 1.00 0.00 O ATOM 711 CB PRO A 989 0.536 -10.914 -8.931 1.00 0.00 C ATOM 712 CG PRO A 989 -0.852 -11.332 -9.319 1.00 0.00 C ATOM 713 CD PRO A 989 -1.317 -12.309 -8.239 1.00 0.00 C ATOM 0 HA PRO A 989 1.512 -11.410 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.753 -9.904 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.283 -11.571 -9.376 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.517 -10.470 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.857 -11.805 -10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.398 -12.279 -8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.055 -13.338 -8.485 1.00 0.00 H new ATOM 721 N ASP A 990 -0.706 -9.044 -6.727 1.00 0.00 N ATOM 722 CA ASP A 990 -0.902 -7.751 -6.090 1.00 0.00 C ATOM 723 C ASP A 990 -0.649 -7.858 -4.583 1.00 0.00 C ATOM 724 O ASP A 990 -0.110 -6.938 -3.970 1.00 0.00 O ATOM 725 CB ASP A 990 -2.335 -7.251 -6.354 1.00 0.00 C ATOM 726 CG ASP A 990 -2.410 -6.536 -7.702 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.453 -6.626 -8.454 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.414 -5.891 -7.954 1.00 0.00 O ATOM 0 H ASP A 990 -1.542 -9.444 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.193 -7.038 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.028 -8.092 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.643 -6.573 -5.558 1.00 0.00 H new ATOM 733 N SER A 991 -1.058 -8.981 -3.994 1.00 0.00 N ATOM 734 CA SER A 991 -0.892 -9.190 -2.558 1.00 0.00 C ATOM 735 C SER A 991 0.578 -9.274 -2.145 1.00 0.00 C ATOM 736 O SER A 991 1.004 -8.585 -1.212 1.00 0.00 O ATOM 737 CB SER A 991 -1.614 -10.470 -2.144 1.00 0.00 C ATOM 738 OG SER A 991 -2.989 -10.355 -2.481 1.00 0.00 O ATOM 0 H SER A 991 -1.504 -9.755 -4.486 1.00 0.00 H new ATOM 0 HA SER A 991 -1.323 -8.327 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.174 -11.330 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.502 -10.636 -1.073 1.00 0.00 H new ATOM 0 HG SER A 991 -3.479 -9.964 -1.728 1.00 0.00 H new ATOM 744 N GLN A 992 1.357 -10.116 -2.826 1.00 0.00 N ATOM 745 CA GLN A 992 2.766 -10.249 -2.475 1.00 0.00 C ATOM 746 C GLN A 992 3.499 -8.948 -2.765 1.00 0.00 C ATOM 747 O GLN A 992 4.391 -8.547 -2.017 1.00 0.00 O ATOM 748 CB GLN A 992 3.422 -11.417 -3.219 1.00 0.00 C ATOM 749 CG GLN A 992 3.019 -11.410 -4.692 1.00 0.00 C ATOM 750 CD GLN A 992 3.976 -12.278 -5.501 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.469 -13.289 -5.001 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.271 -11.941 -6.726 1.00 0.00 N ATOM 0 H GLN A 992 1.045 -10.700 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 992 2.832 -10.463 -1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.506 -11.347 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.126 -12.360 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 992 2.000 -11.781 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 992 3.029 -10.390 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 992 3.861 -11.103 -7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.912 -12.516 -7.273 1.00 0.00 H new ATOM 761 N ARG A 993 3.097 -8.274 -3.840 1.00 0.00 N ATOM 762 CA ARG A 993 3.707 -6.999 -4.195 1.00 0.00 C ATOM 763 C ARG A 993 3.413 -5.973 -3.107 1.00 0.00 C ATOM 764 O ARG A 993 4.281 -5.183 -2.741 1.00 0.00 O ATOM 765 CB ARG A 993 3.173 -6.510 -5.544 1.00 0.00 C ATOM 766 CG ARG A 993 3.807 -7.333 -6.670 1.00 0.00 C ATOM 767 CD ARG A 993 3.183 -6.943 -8.011 1.00 0.00 C ATOM 768 NE ARG A 993 3.851 -7.646 -9.100 1.00 0.00 N ATOM 769 CZ ARG A 993 3.413 -7.556 -10.351 1.00 0.00 C ATOM 770 NH1 ARG A 993 2.360 -6.834 -10.623 1.00 0.00 N ATOM 771 NH2 ARG A 993 4.035 -8.190 -11.304 1.00 0.00 N ATOM 0 H ARG A 993 2.360 -8.586 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 993 4.786 -7.131 -4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.088 -6.606 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.403 -5.453 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.883 -7.162 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.657 -8.397 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 993 2.120 -7.185 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 993 3.265 -5.866 -8.159 1.00 0.00 H new ATOM 0 HE ARG A 993 4.671 -8.218 -8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 993 1.874 -6.339 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 993 2.023 -6.765 -11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.857 -8.754 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 993 3.700 -8.122 -12.265 1.00 0.00 H new ATOM 785 N TYR A 994 2.192 -6.008 -2.579 1.00 0.00 N ATOM 786 CA TYR A 994 1.808 -5.091 -1.514 1.00 0.00 C ATOM 787 C TYR A 994 2.684 -5.316 -0.287 1.00 0.00 C ATOM 788 O TYR A 994 3.203 -4.364 0.301 1.00 0.00 O ATOM 789 CB TYR A 994 0.332 -5.289 -1.149 1.00 0.00 C ATOM 790 CG TYR A 994 -0.009 -4.475 0.084 1.00 0.00 C ATOM 791 CD1 TYR A 994 -0.136 -3.085 0.000 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.198 -5.120 1.310 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.449 -2.341 1.145 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.510 -4.377 2.453 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.637 -2.987 2.371 1.00 0.00 C ATOM 796 OH TYR A 994 -0.940 -2.254 3.500 1.00 0.00 O ATOM 0 H TYR A 994 1.459 -6.656 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 994 1.948 -4.069 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.301 -4.985 -1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.132 -6.345 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.007 -2.585 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.103 -6.194 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.545 -1.267 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.653 -4.877 3.399 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.039 -2.858 4.265 1.00 0.00 H new ATOM 806 N ASN A 995 2.856 -6.578 0.096 1.00 0.00 N ATOM 807 CA ASN A 995 3.682 -6.882 1.253 1.00 0.00 C ATOM 808 C ASN A 995 5.092 -6.362 1.009 1.00 0.00 C ATOM 809 O ASN A 995 5.710 -5.762 1.893 1.00 0.00 O ATOM 810 CB ASN A 995 3.714 -8.395 1.499 1.00 0.00 C ATOM 811 CG ASN A 995 2.432 -8.840 2.190 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.371 -8.089 2.109 1.00 0.00 O flip ATOM 813 ND2 ASN A 995 2.393 -9.901 2.814 1.00 0.00 N flip ATOM 0 H ASN A 995 2.444 -7.388 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 995 3.262 -6.398 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.828 -8.923 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.576 -8.653 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 995 3.225 -10.487 2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.528 -10.194 3.269 1.00 0.00 H new ATOM 820 N ALA A 996 5.593 -6.561 -0.205 1.00 0.00 N ATOM 821 CA ALA A 996 6.917 -6.069 -0.538 1.00 0.00 C ATOM 822 C ALA A 996 6.934 -4.558 -0.430 1.00 0.00 C ATOM 823 O ALA A 996 7.856 -3.983 0.115 1.00 0.00 O ATOM 824 CB ALA A 996 7.300 -6.446 -1.958 1.00 0.00 C ATOM 0 H ALA A 996 5.111 -7.050 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 996 7.627 -6.518 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.297 -6.064 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.296 -7.531 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.583 -6.014 -2.655 1.00 0.00 H new ATOM 830 N TRP A 997 5.903 -3.915 -0.957 1.00 0.00 N ATOM 831 CA TRP A 997 5.837 -2.465 -0.909 1.00 0.00 C ATOM 832 C TRP A 997 6.019 -1.998 0.526 1.00 0.00 C ATOM 833 O TRP A 997 6.736 -1.032 0.784 1.00 0.00 O ATOM 834 CB TRP A 997 4.500 -1.974 -1.466 1.00 0.00 C ATOM 835 CG TRP A 997 4.449 -0.480 -1.400 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.091 0.359 -2.245 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.717 0.361 -0.462 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.803 1.663 -1.882 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.960 1.718 -0.790 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.877 0.084 0.631 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.392 2.756 -0.058 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.302 1.129 1.369 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.557 2.463 1.024 1.00 0.00 C ATOM 0 H TRP A 997 5.112 -4.367 -1.416 1.00 0.00 H new ATOM 0 HA TRP A 997 6.635 -2.049 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.379 -2.307 -2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.677 -2.402 -0.894 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.724 0.060 -3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.169 2.484 -2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.673 -0.941 0.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.595 3.783 -0.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.659 0.904 2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 997 2.109 3.264 1.593 1.00 0.00 H new ATOM 854 N LEU A 998 5.406 -2.709 1.466 1.00 0.00 N ATOM 855 CA LEU A 998 5.572 -2.357 2.867 1.00 0.00 C ATOM 856 C LEU A 998 7.040 -2.519 3.240 1.00 0.00 C ATOM 857 O LEU A 998 7.608 -1.697 3.959 1.00 0.00 O ATOM 858 CB LEU A 998 4.702 -3.243 3.764 1.00 0.00 C ATOM 859 CG LEU A 998 3.226 -2.835 3.638 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.355 -3.903 4.311 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.986 -1.464 4.311 1.00 0.00 C ATOM 0 H LEU A 998 4.804 -3.513 1.288 1.00 0.00 H new ATOM 0 HA LEU A 998 5.258 -1.324 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.823 -4.289 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.025 -3.152 4.801 1.00 0.00 H new ATOM 0 HG LEU A 998 2.964 -2.752 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.305 -3.622 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.514 -4.864 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.626 -3.983 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.936 -1.189 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.248 -1.526 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.605 -0.708 3.828 1.00 0.00 H new ATOM 873 N GLU A 999 7.650 -3.589 2.734 1.00 0.00 N ATOM 874 CA GLU A 999 9.059 -3.855 3.002 1.00 0.00 C ATOM 875 C GLU A 999 9.942 -2.768 2.385 1.00 0.00 C ATOM 876 O GLU A 999 10.839 -2.238 3.039 1.00 0.00 O ATOM 877 CB GLU A 999 9.442 -5.231 2.436 1.00 0.00 C ATOM 878 CG GLU A 999 10.903 -5.528 2.769 1.00 0.00 C ATOM 879 CD GLU A 999 11.270 -6.938 2.323 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.365 -7.692 1.997 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.451 -7.250 2.321 1.00 0.00 O ATOM 0 H GLU A 999 7.193 -4.281 2.140 1.00 0.00 H new ATOM 0 HA GLU A 999 9.217 -3.852 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.797 -6.002 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.293 -5.247 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.550 -4.803 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.067 -5.424 3.842 1.00 0.00 H new ATOM 888 N LEU A1000 9.665 -2.420 1.132 1.00 0.00 N ATOM 889 CA LEU A1000 10.433 -1.389 0.450 1.00 0.00 C ATOM 890 C LEU A1000 10.299 -0.092 1.223 1.00 0.00 C ATOM 891 O LEU A1000 11.270 0.634 1.430 1.00 0.00 O ATOM 892 CB LEU A1000 9.891 -1.180 -0.970 1.00 0.00 C ATOM 893 CG LEU A1000 10.038 -2.466 -1.799 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.458 -2.238 -3.199 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.518 -2.866 -1.909 1.00 0.00 C ATOM 0 H LEU A1000 8.919 -2.835 0.573 1.00 0.00 H new ATOM 0 HA LEU A1000 11.478 -1.694 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.842 -0.887 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.429 -0.365 -1.454 1.00 0.00 H new ATOM 0 HG LEU A1000 9.495 -3.271 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.561 -3.149 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.403 -1.976 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.996 -1.426 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.605 -3.778 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.076 -2.065 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.923 -3.038 -0.912 1.00 0.00 H new ATOM 907 N ARG A1001 9.082 0.182 1.661 1.00 0.00 N ATOM 908 CA ARG A1001 8.811 1.381 2.428 1.00 0.00 C ATOM 909 C ARG A1001 9.629 1.399 3.704 1.00 0.00 C ATOM 910 O ARG A1001 10.193 2.425 4.084 1.00 0.00 O ATOM 911 CB ARG A1001 7.326 1.436 2.763 1.00 0.00 C ATOM 912 CG ARG A1001 7.060 2.605 3.706 1.00 0.00 C ATOM 913 CD ARG A1001 5.554 2.830 3.822 1.00 0.00 C ATOM 914 NE ARG A1001 5.271 3.918 4.750 1.00 0.00 N ATOM 915 CZ ARG A1001 4.034 4.166 5.162 1.00 0.00 C ATOM 916 NH1 ARG A1001 3.041 3.444 4.720 1.00 0.00 N ATOM 917 NH2 ARG A1001 3.814 5.135 6.009 1.00 0.00 N ATOM 0 H ARG A1001 8.268 -0.410 1.498 1.00 0.00 H new ATOM 0 HA ARG A1001 9.088 2.252 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.741 1.550 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.012 0.501 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.485 2.398 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.546 3.506 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.138 3.063 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.069 1.916 4.165 1.00 0.00 H new ATOM 0 HE ARG A1001 6.038 4.499 5.089 1.00 0.00 H new ATOM 0 HH11 ARG A1001 3.215 2.688 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A1001 2.091 3.635 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.592 5.699 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A1001 2.864 5.328 6.328 1.00 0.00 H new ATOM 931 N ALA A1002 9.686 0.258 4.358 1.00 0.00 N ATOM 932 CA ALA A1002 10.430 0.143 5.591 1.00 0.00 C ATOM 933 C ALA A1002 11.894 0.466 5.324 1.00 0.00 C ATOM 934 O ALA A1002 12.589 1.026 6.172 1.00 0.00 O ATOM 935 CB ALA A1002 10.285 -1.281 6.150 1.00 0.00 C ATOM 0 H ALA A1002 9.226 -0.601 4.056 1.00 0.00 H new ATOM 0 HA ALA A1002 10.040 0.846 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.847 -1.366 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.233 -1.491 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.672 -1.997 5.426 1.00 0.00 H new ATOM 941 N LYS A1003 12.340 0.107 4.131 1.00 0.00 N ATOM 942 CA LYS A1003 13.724 0.355 3.728 1.00 0.00 C ATOM 943 C LYS A1003 13.955 1.833 3.417 1.00 0.00 C ATOM 944 O LYS A1003 15.031 2.369 3.682 1.00 0.00 O ATOM 945 CB LYS A1003 14.092 -0.506 2.517 1.00 0.00 C ATOM 946 CG LYS A1003 14.133 -1.974 2.942 1.00 0.00 C ATOM 947 CD LYS A1003 14.657 -2.833 1.788 1.00 0.00 C ATOM 948 CE LYS A1003 14.780 -4.287 2.247 1.00 0.00 C ATOM 949 NZ LYS A1003 15.704 -4.367 3.412 1.00 0.00 N ATOM 0 H LYS A1003 11.770 -0.356 3.423 1.00 0.00 H new ATOM 0 HA LYS A1003 14.368 0.082 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A1003 13.362 -0.365 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A1003 15.060 -0.202 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A1003 14.774 -2.092 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A1003 13.136 -2.306 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A1003 13.981 -2.766 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A1003 15.627 -2.462 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A1003 13.799 -4.677 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A1003 15.153 -4.906 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 16.093 -5.329 3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 16.481 -3.688 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 15.184 -4.140 4.284 1.00 0.00 H new ATOM 963 N ARG A1004 12.940 2.478 2.847 1.00 0.00 N ATOM 964 CA ARG A1004 13.035 3.894 2.491 1.00 0.00 C ATOM 965 C ARG A1004 13.297 4.739 3.733 1.00 0.00 C ATOM 966 O ARG A1004 14.003 5.744 3.674 1.00 0.00 O ATOM 967 CB ARG A1004 11.724 4.339 1.829 1.00 0.00 C ATOM 968 CG ARG A1004 11.563 3.676 0.449 1.00 0.00 C ATOM 969 CD ARG A1004 12.333 4.454 -0.625 1.00 0.00 C ATOM 970 NE ARG A1004 12.210 3.775 -1.916 1.00 0.00 N ATOM 971 CZ ARG A1004 13.126 2.907 -2.345 1.00 0.00 C ATOM 972 NH1 ARG A1004 14.163 2.623 -1.603 1.00 0.00 N ATOM 973 NH2 ARG A1004 12.980 2.331 -3.507 1.00 0.00 N ATOM 0 H ARG A1004 12.044 2.045 2.622 1.00 0.00 H new ATOM 0 HA ARG A1004 13.864 4.031 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A1004 10.880 4.075 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A1004 11.714 5.424 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A1004 11.926 2.649 0.490 1.00 0.00 H new ATOM 0 HG3 ARG A1004 10.507 3.631 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A1004 11.944 5.470 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A1004 13.383 4.535 -0.345 1.00 0.00 H new ATOM 0 HE ARG A1004 11.400 3.972 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A1004 14.274 3.066 -0.691 1.00 0.00 H new ATOM 0 HH12 ARG A1004 14.861 1.958 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A1004 12.167 2.546 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A1004 13.679 1.666 -3.838 1.00 0.00 H new ATOM 987 N LEU A1005 12.719 4.325 4.855 1.00 0.00 N ATOM 988 CA LEU A1005 12.894 5.052 6.108 1.00 0.00 C ATOM 989 C LEU A1005 14.362 5.062 6.519 1.00 0.00 C ATOM 990 O LEU A1005 14.883 6.082 6.971 1.00 0.00 O ATOM 991 CB LEU A1005 12.067 4.389 7.212 1.00 0.00 C ATOM 992 CG LEU A1005 10.567 4.586 6.951 1.00 0.00 C ATOM 993 CD1 LEU A1005 9.779 3.696 7.915 1.00 0.00 C ATOM 994 CD2 LEU A1005 10.166 6.062 7.166 1.00 0.00 C ATOM 0 H LEU A1005 12.129 3.496 4.924 1.00 0.00 H new ATOM 0 HA LEU A1005 12.558 6.079 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A1005 12.298 3.325 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A1005 12.333 4.815 8.179 1.00 0.00 H new ATOM 0 HG LEU A1005 10.344 4.316 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A1005 8.711 3.826 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A1005 10.049 2.653 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A1005 10.015 3.974 8.942 1.00 0.00 H new ATOM 0 HD21 LEU A1005 9.099 6.181 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A1005 10.386 6.353 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A1005 10.729 6.696 6.481 1.00 0.00 H new ATOM 1006 N SER A1006 15.024 3.917 6.365 1.00 0.00 N ATOM 1007 CA SER A1006 16.433 3.804 6.727 1.00 0.00 C ATOM 1008 C SER A1006 17.318 4.359 5.617 1.00 0.00 C ATOM 1009 O SER A1006 18.081 5.271 5.896 1.00 0.00 O ATOM 1010 CB SER A1006 16.787 2.337 6.977 1.00 0.00 C ATOM 1011 OG SER A1006 18.190 2.159 6.826 1.00 0.00 O ATOM 0 H SER A1006 14.610 3.061 5.995 1.00 0.00 H new ATOM 0 HA SER A1006 16.605 4.382 7.635 1.00 0.00 H new ATOM 0 HB2 SER A1006 16.477 2.042 7.980 1.00 0.00 H new ATOM 0 HB3 SER A1006 16.250 1.697 6.277 1.00 0.00 H new ATOM 0 HG SER A1006 18.420 1.220 6.987 1.00 0.00 H new TER 1017 SER A1006