USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.204 X(o=-1.7,f=-1.7) USER MOD Set 1.2: A 41 MET CE :methyl -155:sc= -1.49 (180deg=-3.02!) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= -0.0375 (180deg=-0.301) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -6.62! C(o=-6.6!,f=-3.9!) USER MOD Single : A 25 GLN : amide:sc= -4.17! C(o=-4.2!,f=-5.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -4.5! C(o=-4.5!,f=-3.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.905! (180deg=-1.79!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -0.627 -12.932 -2.931 1.00 0.00 N ATOM 67 CA PRO A 8 -0.723 -11.885 -3.953 1.00 0.00 C ATOM 68 C PRO A 8 0.067 -10.635 -3.579 1.00 0.00 C ATOM 69 O PRO A 8 0.119 -10.247 -2.412 1.00 0.00 O ATOM 70 CB PRO A 8 -2.221 -11.576 -4.004 1.00 0.00 C ATOM 71 CG PRO A 8 -2.734 -11.960 -2.659 1.00 0.00 C ATOM 72 CD PRO A 8 -1.899 -13.131 -2.218 1.00 0.00 C ATOM 0 HA PRO A 8 -0.308 -12.208 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.401 -10.521 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.715 -12.143 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.646 -11.131 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.789 -12.228 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.757 -13.139 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.365 -14.080 -2.485 1.00 0.00 H new ATOM 80 N LYS A 9 0.678 -10.006 -4.577 1.00 0.00 N ATOM 81 CA LYS A 9 1.464 -8.799 -4.354 1.00 0.00 C ATOM 82 C LYS A 9 0.557 -7.603 -4.079 1.00 0.00 C ATOM 83 O LYS A 9 0.016 -6.996 -5.002 1.00 0.00 O ATOM 84 CB LYS A 9 2.350 -8.511 -5.569 1.00 0.00 C ATOM 85 CG LYS A 9 3.344 -7.385 -5.342 1.00 0.00 C ATOM 86 CD LYS A 9 4.115 -7.059 -6.610 1.00 0.00 C ATOM 87 CE LYS A 9 5.353 -7.933 -6.750 1.00 0.00 C ATOM 88 NZ LYS A 9 6.384 -7.601 -5.729 1.00 0.00 N ATOM 0 H LYS A 9 0.644 -10.313 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 9 2.096 -8.963 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.894 -9.417 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.716 -8.259 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.816 -6.496 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.041 -7.667 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.469 -7.200 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.409 -6.009 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.070 -8.981 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.775 -7.807 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.314 -7.936 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.416 -6.571 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.143 -8.064 -4.829 1.00 0.00 H new ATOM 102 N ALA A 10 0.397 -7.270 -2.802 1.00 0.00 N ATOM 103 CA ALA A 10 -0.440 -6.145 -2.406 1.00 0.00 C ATOM 104 C ALA A 10 -0.172 -4.925 -3.281 1.00 0.00 C ATOM 105 O ALA A 10 0.923 -4.364 -3.286 1.00 0.00 O ATOM 106 CB ALA A 10 -0.210 -5.805 -0.940 1.00 0.00 C ATOM 0 H ALA A 10 0.836 -7.763 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.482 -6.435 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.842 -4.963 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.459 -6.668 -0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.836 -5.540 -0.788 1.00 0.00 H new ATOM 112 N PRO A 11 -1.195 -4.504 -4.040 1.00 0.00 N ATOM 113 CA PRO A 11 -1.093 -3.346 -4.933 1.00 0.00 C ATOM 114 C PRO A 11 -0.991 -2.031 -4.169 1.00 0.00 C ATOM 115 O PRO A 11 -1.488 -1.913 -3.049 1.00 0.00 O ATOM 116 CB PRO A 11 -2.398 -3.400 -5.733 1.00 0.00 C ATOM 117 CG PRO A 11 -3.353 -4.129 -4.852 1.00 0.00 C ATOM 118 CD PRO A 11 -2.529 -5.125 -4.083 1.00 0.00 C ATOM 0 HA PRO A 11 -0.196 -3.385 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.761 -2.399 -5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.260 -3.919 -6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.864 -3.442 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.122 -4.630 -5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.928 -5.289 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.505 -6.095 -4.580 1.00 0.00 H new ATOM 126 N VAL A 12 -0.344 -1.044 -4.781 1.00 0.00 N ATOM 127 CA VAL A 12 -0.178 0.264 -4.158 1.00 0.00 C ATOM 128 C VAL A 12 -1.511 0.998 -4.061 1.00 0.00 C ATOM 129 O VAL A 12 -2.287 1.030 -5.016 1.00 0.00 O ATOM 130 CB VAL A 12 0.821 1.135 -4.942 1.00 0.00 C ATOM 131 CG1 VAL A 12 2.208 0.513 -4.915 1.00 0.00 C ATOM 132 CG2 VAL A 12 0.344 1.336 -6.373 1.00 0.00 C ATOM 0 H VAL A 12 0.074 -1.125 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 12 0.212 0.092 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 12 0.879 2.112 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.900 1.143 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.548 0.427 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.171 -0.478 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.062 1.954 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.255 0.368 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.627 1.830 -6.367 1.00 0.00 H new ATOM 142 N THR A 13 -1.770 1.591 -2.899 1.00 0.00 N ATOM 143 CA THR A 13 -3.009 2.325 -2.676 1.00 0.00 C ATOM 144 C THR A 13 -3.160 3.466 -3.677 1.00 0.00 C ATOM 145 O THR A 13 -2.266 3.719 -4.484 1.00 0.00 O ATOM 146 CB THR A 13 -3.072 2.900 -1.248 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.050 3.888 -1.072 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.901 1.798 -0.213 1.00 0.00 C ATOM 0 H THR A 13 -1.138 1.577 -2.099 1.00 0.00 H new ATOM 0 HA THR A 13 -3.825 1.615 -2.811 1.00 0.00 H new ATOM 0 HB THR A 13 -4.050 3.360 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.098 4.250 -0.162 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.949 2.228 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.696 1.062 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.935 1.313 -0.354 1.00 0.00 H new ATOM 156 N GLY A 14 -4.298 4.151 -3.619 1.00 0.00 N ATOM 157 CA GLY A 14 -4.544 5.256 -4.526 1.00 0.00 C ATOM 158 C GLY A 14 -3.604 6.422 -4.289 1.00 0.00 C ATOM 159 O GLY A 14 -3.240 7.135 -5.225 1.00 0.00 O ATOM 0 H GLY A 14 -5.053 3.960 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.436 4.909 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.574 5.594 -4.411 1.00 0.00 H new ATOM 163 N TYR A 15 -3.212 6.618 -3.035 1.00 0.00 N ATOM 164 CA TYR A 15 -2.312 7.707 -2.678 1.00 0.00 C ATOM 165 C TYR A 15 -0.901 7.440 -3.193 1.00 0.00 C ATOM 166 O TYR A 15 -0.208 8.354 -3.642 1.00 0.00 O ATOM 167 CB TYR A 15 -2.285 7.898 -1.160 1.00 0.00 C ATOM 168 CG TYR A 15 -1.038 8.590 -0.659 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.732 9.887 -1.052 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.165 7.946 0.210 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.407 10.522 -0.597 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.976 8.574 0.672 1.00 0.00 C ATOM 173 CZ TYR A 15 1.257 9.861 0.265 1.00 0.00 C ATOM 174 OH TYR A 15 2.393 10.492 0.722 1.00 0.00 O ATOM 0 H TYR A 15 -3.504 6.037 -2.249 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.683 8.619 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.158 8.478 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.368 6.924 -0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.397 10.408 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.382 6.937 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.631 11.530 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.643 8.060 1.348 1.00 0.00 H new ATOM 0 HH TYR A 15 2.883 9.891 1.321 1.00 0.00 H new ATOM 184 N VAL A 16 -0.482 6.181 -3.125 1.00 0.00 N ATOM 185 CA VAL A 16 0.845 5.790 -3.585 1.00 0.00 C ATOM 186 C VAL A 16 0.872 5.615 -5.099 1.00 0.00 C ATOM 187 O VAL A 16 1.861 5.941 -5.755 1.00 0.00 O ATOM 188 CB VAL A 16 1.308 4.481 -2.920 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.583 3.971 -3.572 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.509 4.685 -1.426 1.00 0.00 C ATOM 0 H VAL A 16 -1.043 5.413 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 16 1.526 6.592 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 16 0.531 3.729 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.894 3.045 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.401 3.784 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.370 4.718 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.836 3.750 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.266 5.452 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.569 4.999 -0.972 1.00 0.00 H new ATOM 200 N ARG A 17 -0.223 5.098 -5.649 1.00 0.00 N ATOM 201 CA ARG A 17 -0.324 4.878 -7.086 1.00 0.00 C ATOM 202 C ARG A 17 0.214 6.078 -7.859 1.00 0.00 C ATOM 203 O ARG A 17 1.027 5.927 -8.772 1.00 0.00 O ATOM 204 CB ARG A 17 -1.779 4.613 -7.481 1.00 0.00 C ATOM 205 CG ARG A 17 -1.926 3.726 -8.707 1.00 0.00 C ATOM 206 CD ARG A 17 -3.307 3.096 -8.776 1.00 0.00 C ATOM 207 NE ARG A 17 -3.425 1.936 -7.896 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.782 0.791 -8.099 1.00 0.00 C ATOM 209 NH1 ARG A 17 -1.979 0.655 -9.146 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.939 -0.219 -7.255 1.00 0.00 N ATOM 0 H ARG A 17 -1.052 4.824 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 17 0.279 4.006 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.295 4.147 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.274 5.565 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.748 4.315 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.168 2.943 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.057 3.837 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.517 2.795 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.034 2.009 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.854 1.430 -9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.486 -0.225 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.554 -0.118 -6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.444 -1.097 -7.413 1.00 0.00 H new ATOM 224 N PHE A 18 -0.246 7.268 -7.489 1.00 0.00 N ATOM 225 CA PHE A 18 0.187 8.494 -8.149 1.00 0.00 C ATOM 226 C PHE A 18 1.661 8.771 -7.867 1.00 0.00 C ATOM 227 O PHE A 18 2.379 9.303 -8.716 1.00 0.00 O ATOM 228 CB PHE A 18 -0.664 9.677 -7.684 1.00 0.00 C ATOM 229 CG PHE A 18 0.053 10.996 -7.753 1.00 0.00 C ATOM 230 CD1 PHE A 18 0.898 11.393 -6.729 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.119 11.837 -8.839 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.560 12.605 -6.789 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.540 13.050 -8.905 1.00 0.00 C ATOM 234 CZ PHE A 18 1.379 13.435 -7.878 1.00 0.00 C ATOM 0 H PHE A 18 -0.919 7.410 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 18 0.058 8.364 -9.224 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.564 9.730 -8.296 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.986 9.501 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.041 10.748 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.776 11.542 -9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.218 12.902 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.399 13.696 -9.759 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.893 14.384 -7.926 1.00 0.00 H new ATOM 244 N LEU A 19 2.106 8.410 -6.669 1.00 0.00 N ATOM 245 CA LEU A 19 3.494 8.619 -6.272 1.00 0.00 C ATOM 246 C LEU A 19 4.426 7.679 -7.033 1.00 0.00 C ATOM 247 O LEU A 19 5.584 8.007 -7.282 1.00 0.00 O ATOM 248 CB LEU A 19 3.653 8.404 -4.766 1.00 0.00 C ATOM 249 CG LEU A 19 3.129 9.525 -3.869 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.699 8.972 -2.520 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.186 10.605 -3.693 1.00 0.00 C ATOM 0 H LEU A 19 1.525 7.971 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 19 3.765 9.646 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.142 7.480 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.711 8.258 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 19 2.258 9.972 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.329 9.785 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.908 8.236 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.551 8.499 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.796 11.395 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.076 10.172 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.445 11.022 -4.666 1.00 0.00 H new ATOM 263 N ASN A 20 3.908 6.511 -7.400 1.00 0.00 N ATOM 264 CA ASN A 20 4.694 5.525 -8.134 1.00 0.00 C ATOM 265 C ASN A 20 5.166 6.091 -9.469 1.00 0.00 C ATOM 266 O ASN A 20 6.366 6.180 -9.726 1.00 0.00 O ATOM 267 CB ASN A 20 3.869 4.258 -8.367 1.00 0.00 C ATOM 268 CG ASN A 20 4.012 3.258 -7.235 1.00 0.00 C ATOM 269 OD1 ASN A 20 4.719 3.508 -6.258 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.342 2.119 -7.363 1.00 0.00 N ATOM 0 H ASN A 20 2.949 6.224 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 20 5.570 5.276 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.819 4.527 -8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.181 3.792 -9.302 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.401 1.408 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.768 1.955 -8.190 1.00 0.00 H new ATOM 277 N GLU A 21 4.213 6.471 -10.315 1.00 0.00 N ATOM 278 CA GLU A 21 4.532 7.028 -11.624 1.00 0.00 C ATOM 279 C GLU A 21 5.348 8.310 -11.486 1.00 0.00 C ATOM 280 O GLU A 21 6.394 8.463 -12.117 1.00 0.00 O ATOM 281 CB GLU A 21 3.250 7.308 -12.410 1.00 0.00 C ATOM 282 CG GLU A 21 3.457 7.353 -13.915 1.00 0.00 C ATOM 283 CD GLU A 21 3.807 5.998 -14.497 1.00 0.00 C ATOM 284 OE1 GLU A 21 2.902 5.142 -14.593 1.00 0.00 O ATOM 285 OE2 GLU A 21 4.985 5.792 -14.856 1.00 0.00 O ATOM 0 H GLU A 21 3.215 6.403 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 21 5.129 6.295 -12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.515 6.538 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.832 8.259 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.550 7.726 -14.392 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.253 8.060 -14.147 1.00 0.00 H new ATOM 292 N ARG A 22 4.861 9.228 -10.657 1.00 0.00 N ATOM 293 CA ARG A 22 5.543 10.497 -10.437 1.00 0.00 C ATOM 294 C ARG A 22 6.993 10.270 -10.020 1.00 0.00 C ATOM 295 O ARG A 22 7.904 10.932 -10.519 1.00 0.00 O ATOM 296 CB ARG A 22 4.815 11.313 -9.367 1.00 0.00 C ATOM 297 CG ARG A 22 3.411 11.732 -9.772 1.00 0.00 C ATOM 298 CD ARG A 22 3.417 13.066 -10.502 1.00 0.00 C ATOM 299 NE ARG A 22 3.599 12.900 -11.942 1.00 0.00 N ATOM 300 CZ ARG A 22 2.639 12.482 -12.760 1.00 0.00 C ATOM 301 NH1 ARG A 22 1.436 12.191 -12.284 1.00 0.00 N ATOM 302 NH2 ARG A 22 2.880 12.357 -14.059 1.00 0.00 N ATOM 0 H ARG A 22 3.997 9.116 -10.127 1.00 0.00 H new ATOM 0 HA ARG A 22 5.536 11.052 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.760 10.727 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.400 12.204 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.972 10.967 -10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.781 11.804 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.479 13.587 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.216 13.693 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 22 4.512 13.117 -12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.245 12.288 -11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.702 11.870 -12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.803 12.582 -14.430 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.142 12.036 -14.686 1.00 0.00 H new ATOM 316 N ARG A 23 7.199 9.333 -9.101 1.00 0.00 N ATOM 317 CA ARG A 23 8.538 9.020 -8.615 1.00 0.00 C ATOM 318 C ARG A 23 9.554 9.069 -9.752 1.00 0.00 C ATOM 319 O ARG A 23 10.661 9.582 -9.587 1.00 0.00 O ATOM 320 CB ARG A 23 8.555 7.638 -7.959 1.00 0.00 C ATOM 321 CG ARG A 23 9.935 7.202 -7.495 1.00 0.00 C ATOM 322 CD ARG A 23 10.674 6.438 -8.583 1.00 0.00 C ATOM 323 NE ARG A 23 10.197 5.063 -8.706 1.00 0.00 N ATOM 324 CZ ARG A 23 10.705 4.182 -9.562 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.701 4.531 -10.365 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.217 2.950 -9.614 1.00 0.00 N ATOM 0 H ARG A 23 6.456 8.777 -8.678 1.00 0.00 H new ATOM 0 HA ARG A 23 8.813 9.770 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.878 7.642 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.170 6.904 -8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.516 8.078 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.841 6.575 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.549 6.952 -9.536 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.741 6.433 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 23 9.432 4.762 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.079 5.478 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.089 3.853 -11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.452 2.678 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.607 2.274 -10.271 1.00 0.00 H new ATOM 340 N GLU A 24 9.170 8.531 -10.905 1.00 0.00 N ATOM 341 CA GLU A 24 10.049 8.512 -12.069 1.00 0.00 C ATOM 342 C GLU A 24 10.309 9.927 -12.577 1.00 0.00 C ATOM 343 O GLU A 24 11.455 10.325 -12.777 1.00 0.00 O ATOM 344 CB GLU A 24 9.437 7.661 -13.184 1.00 0.00 C ATOM 345 CG GLU A 24 10.184 7.761 -14.504 1.00 0.00 C ATOM 346 CD GLU A 24 9.381 7.221 -15.671 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.204 7.613 -15.814 1.00 0.00 O ATOM 348 OE2 GLU A 24 9.928 6.404 -16.440 1.00 0.00 O ATOM 0 H GLU A 24 8.257 8.103 -11.058 1.00 0.00 H new ATOM 0 HA GLU A 24 11.000 8.073 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.417 6.619 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.402 7.967 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.439 8.803 -14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.123 7.212 -14.429 1.00 0.00 H new ATOM 355 N GLN A 25 9.233 10.681 -12.785 1.00 0.00 N ATOM 356 CA GLN A 25 9.345 12.051 -13.272 1.00 0.00 C ATOM 357 C GLN A 25 10.474 12.791 -12.562 1.00 0.00 C ATOM 358 O GLN A 25 11.301 13.441 -13.202 1.00 0.00 O ATOM 359 CB GLN A 25 8.024 12.796 -13.068 1.00 0.00 C ATOM 360 CG GLN A 25 6.937 12.384 -14.047 1.00 0.00 C ATOM 361 CD GLN A 25 7.044 10.929 -14.460 1.00 0.00 C ATOM 362 OE1 GLN A 25 6.357 10.065 -13.915 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.908 10.652 -15.430 1.00 0.00 N ATOM 0 H GLN A 25 8.276 10.367 -12.624 1.00 0.00 H new ATOM 0 HA GLN A 25 9.573 12.014 -14.337 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.671 12.622 -12.052 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.202 13.867 -13.165 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.961 12.558 -13.595 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.994 13.015 -14.934 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.457 11.400 -15.853 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.023 9.691 -15.752 1.00 0.00 H new ATOM 372 N ILE A 26 10.501 12.689 -11.237 1.00 0.00 N ATOM 373 CA ILE A 26 11.528 13.348 -10.441 1.00 0.00 C ATOM 374 C ILE A 26 12.909 12.774 -10.743 1.00 0.00 C ATOM 375 O ILE A 26 13.814 13.497 -11.162 1.00 0.00 O ATOM 376 CB ILE A 26 11.247 13.211 -8.933 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.819 13.658 -8.617 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.252 14.024 -8.131 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.508 15.064 -9.081 1.00 0.00 C ATOM 0 H ILE A 26 9.823 12.156 -10.693 1.00 0.00 H new ATOM 0 HA ILE A 26 11.508 14.404 -10.711 1.00 0.00 H new ATOM 0 HB ILE A 26 11.351 12.163 -8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.119 12.966 -9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.657 13.595 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.040 13.917 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.260 13.664 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.177 15.074 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.479 15.313 -8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.184 15.766 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.637 15.127 -10.161 1.00 0.00 H new ATOM 391 N ARG A 27 13.063 11.472 -10.529 1.00 0.00 N ATOM 392 CA ARG A 27 14.334 10.802 -10.779 1.00 0.00 C ATOM 393 C ARG A 27 15.033 11.398 -11.997 1.00 0.00 C ATOM 394 O ARG A 27 16.241 11.634 -11.980 1.00 0.00 O ATOM 395 CB ARG A 27 14.110 9.303 -10.988 1.00 0.00 C ATOM 396 CG ARG A 27 14.067 8.507 -9.694 1.00 0.00 C ATOM 397 CD ARG A 27 15.462 8.118 -9.231 1.00 0.00 C ATOM 398 NE ARG A 27 15.432 7.335 -7.999 1.00 0.00 N ATOM 399 CZ ARG A 27 16.520 7.004 -7.312 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.717 7.387 -7.734 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.411 6.290 -6.199 1.00 0.00 N ATOM 0 H ARG A 27 12.324 10.860 -10.183 1.00 0.00 H new ATOM 0 HA ARG A 27 14.972 10.950 -9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.174 9.156 -11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.906 8.910 -11.620 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.577 9.097 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.467 7.609 -9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.956 7.543 -10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.056 9.018 -9.074 1.00 0.00 H new ATOM 0 HE ARG A 27 14.526 7.025 -7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.805 7.937 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.550 7.131 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.492 5.995 -5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.247 6.036 -5.672 1.00 0.00 H new ATOM 415 N THR A 28 14.264 11.639 -13.056 1.00 0.00 N ATOM 416 CA THR A 28 14.809 12.205 -14.282 1.00 0.00 C ATOM 417 C THR A 28 15.394 13.592 -14.036 1.00 0.00 C ATOM 418 O THR A 28 16.474 13.916 -14.529 1.00 0.00 O ATOM 419 CB THR A 28 13.735 12.302 -15.382 1.00 0.00 C ATOM 420 OG1 THR A 28 13.469 11.003 -15.922 1.00 0.00 O ATOM 421 CG2 THR A 28 14.182 13.238 -16.495 1.00 0.00 C ATOM 0 H THR A 28 13.262 11.450 -13.087 1.00 0.00 H new ATOM 0 HA THR A 28 15.601 11.534 -14.615 1.00 0.00 H new ATOM 0 HB THR A 28 12.825 12.703 -14.936 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.784 11.073 -16.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.407 13.290 -17.260 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.355 14.233 -16.086 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.104 12.862 -16.938 1.00 0.00 H new ATOM 429 N ARG A 29 14.674 14.404 -13.270 1.00 0.00 N ATOM 430 CA ARG A 29 15.122 15.756 -12.959 1.00 0.00 C ATOM 431 C ARG A 29 16.207 15.736 -11.888 1.00 0.00 C ATOM 432 O ARG A 29 17.308 16.250 -12.093 1.00 0.00 O ATOM 433 CB ARG A 29 13.944 16.612 -12.489 1.00 0.00 C ATOM 434 CG ARG A 29 13.176 17.268 -13.626 1.00 0.00 C ATOM 435 CD ARG A 29 11.776 17.671 -13.193 1.00 0.00 C ATOM 436 NE ARG A 29 11.241 18.757 -14.010 1.00 0.00 N ATOM 437 CZ ARG A 29 10.026 19.269 -13.848 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.224 18.795 -12.904 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.611 20.257 -14.631 1.00 0.00 N ATOM 0 H ARG A 29 13.778 14.150 -12.853 1.00 0.00 H new ATOM 0 HA ARG A 29 15.539 16.191 -13.867 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.261 15.989 -11.912 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.314 17.387 -11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.718 18.148 -13.973 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.113 16.580 -14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.114 16.808 -13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.795 17.979 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 29 11.833 19.144 -14.745 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.540 18.036 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.292 19.190 -12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.225 20.624 -15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.678 20.649 -14.506 1.00 0.00 H new ATOM 453 N HIS A 30 15.892 15.139 -10.742 1.00 0.00 N ATOM 454 CA HIS A 30 16.841 15.052 -9.638 1.00 0.00 C ATOM 455 C HIS A 30 17.352 13.623 -9.473 1.00 0.00 C ATOM 456 O HIS A 30 16.934 12.888 -8.578 1.00 0.00 O ATOM 457 CB HIS A 30 16.188 15.526 -8.339 1.00 0.00 C ATOM 458 CG HIS A 30 15.584 16.892 -8.436 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.320 18.052 -8.307 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.306 17.283 -8.652 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.521 19.095 -8.438 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.294 18.656 -8.649 1.00 0.00 N ATOM 0 H HIS A 30 14.987 14.708 -10.554 1.00 0.00 H new ATOM 0 HA HIS A 30 17.688 15.698 -9.867 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.414 14.815 -8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.935 15.523 -7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.454 16.635 -8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.820 20.131 -8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.471 19.242 -8.787 1.00 0.00 H new ATOM 471 N PRO A 31 18.278 13.220 -10.356 1.00 0.00 N ATOM 472 CA PRO A 31 18.865 11.878 -10.328 1.00 0.00 C ATOM 473 C PRO A 31 19.780 11.669 -9.127 1.00 0.00 C ATOM 474 O PRO A 31 20.331 10.586 -8.934 1.00 0.00 O ATOM 475 CB PRO A 31 19.669 11.816 -11.629 1.00 0.00 C ATOM 476 CG PRO A 31 19.989 13.236 -11.944 1.00 0.00 C ATOM 477 CD PRO A 31 18.821 14.043 -11.449 1.00 0.00 C ATOM 0 HA PRO A 31 18.104 11.103 -10.243 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.576 11.224 -11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.092 11.353 -12.429 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.913 13.546 -11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.133 13.375 -13.015 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.132 15.026 -11.096 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.083 14.206 -12.235 1.00 0.00 H new ATOM 485 N ASP A 32 19.936 12.714 -8.320 1.00 0.00 N ATOM 486 CA ASP A 32 20.783 12.645 -7.135 1.00 0.00 C ATOM 487 C ASP A 32 19.942 12.468 -5.875 1.00 0.00 C ATOM 488 O ASP A 32 20.400 11.897 -4.884 1.00 0.00 O ATOM 489 CB ASP A 32 21.638 13.908 -7.019 1.00 0.00 C ATOM 490 CG ASP A 32 22.549 14.103 -8.215 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.185 13.118 -8.644 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.624 15.241 -8.725 1.00 0.00 O ATOM 0 H ASP A 32 19.487 13.618 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 32 21.438 11.780 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.987 14.776 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.240 13.853 -6.112 1.00 0.00 H new ATOM 497 N LEU A 33 18.709 12.961 -5.920 1.00 0.00 N ATOM 498 CA LEU A 33 17.803 12.858 -4.781 1.00 0.00 C ATOM 499 C LEU A 33 17.485 11.400 -4.468 1.00 0.00 C ATOM 500 O LEU A 33 17.032 10.640 -5.325 1.00 0.00 O ATOM 501 CB LEU A 33 16.510 13.626 -5.062 1.00 0.00 C ATOM 502 CG LEU A 33 16.547 15.129 -4.782 1.00 0.00 C ATOM 503 CD1 LEU A 33 15.140 15.705 -4.771 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.250 15.408 -3.461 1.00 0.00 C ATOM 0 H LEU A 33 18.314 13.436 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 33 18.297 13.296 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.244 13.478 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.712 13.185 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 33 17.109 15.614 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.187 16.775 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.671 15.538 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.552 15.215 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.267 16.482 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.715 14.910 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.272 15.031 -3.506 1.00 0.00 H new ATOM 516 N PRO A 34 17.723 10.997 -3.211 1.00 0.00 N ATOM 517 CA PRO A 34 17.466 9.628 -2.756 1.00 0.00 C ATOM 518 C PRO A 34 15.977 9.313 -2.677 1.00 0.00 C ATOM 519 O PRO A 34 15.150 10.024 -3.250 1.00 0.00 O ATOM 520 CB PRO A 34 18.094 9.594 -1.360 1.00 0.00 C ATOM 521 CG PRO A 34 18.075 11.012 -0.902 1.00 0.00 C ATOM 522 CD PRO A 34 18.263 11.849 -2.137 1.00 0.00 C ATOM 0 HA PRO A 34 17.877 8.887 -3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.526 8.953 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.111 9.202 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.132 11.250 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.869 11.199 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.727 12.795 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.313 12.089 -2.304 1.00 0.00 H new ATOM 530 N PHE A 35 15.639 8.244 -1.964 1.00 0.00 N ATOM 531 CA PHE A 35 14.248 7.834 -1.811 1.00 0.00 C ATOM 532 C PHE A 35 13.498 8.792 -0.889 1.00 0.00 C ATOM 533 O PHE A 35 12.501 9.407 -1.270 1.00 0.00 O ATOM 534 CB PHE A 35 14.171 6.410 -1.258 1.00 0.00 C ATOM 535 CG PHE A 35 12.976 6.172 -0.378 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.725 6.640 -0.747 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.105 5.481 0.815 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.624 6.423 0.061 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.007 5.260 1.626 1.00 0.00 C ATOM 540 CZ PHE A 35 10.765 5.731 1.248 1.00 0.00 C ATOM 0 H PHE A 35 16.310 7.645 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 35 13.777 7.859 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.145 5.707 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.078 6.200 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.609 7.180 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.074 5.111 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.654 6.794 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.121 4.720 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.906 5.559 1.879 1.00 0.00 H new ATOM 550 N PRO A 36 13.987 8.921 0.353 1.00 0.00 N ATOM 551 CA PRO A 36 13.379 9.801 1.356 1.00 0.00 C ATOM 552 C PRO A 36 13.568 11.277 1.022 1.00 0.00 C ATOM 553 O PRO A 36 13.450 12.138 1.893 1.00 0.00 O ATOM 554 CB PRO A 36 14.127 9.442 2.642 1.00 0.00 C ATOM 555 CG PRO A 36 15.440 8.911 2.182 1.00 0.00 C ATOM 556 CD PRO A 36 15.171 8.218 0.875 1.00 0.00 C ATOM 0 HA PRO A 36 12.300 9.661 1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.255 10.315 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.581 8.699 3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.164 9.716 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.858 8.218 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.019 8.300 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.977 7.155 1.016 1.00 0.00 H new ATOM 564 N GLU A 37 13.861 11.560 -0.243 1.00 0.00 N ATOM 565 CA GLU A 37 14.066 12.933 -0.690 1.00 0.00 C ATOM 566 C GLU A 37 13.162 13.261 -1.873 1.00 0.00 C ATOM 567 O GLU A 37 12.826 14.422 -2.109 1.00 0.00 O ATOM 568 CB GLU A 37 15.530 13.154 -1.075 1.00 0.00 C ATOM 569 CG GLU A 37 16.433 13.458 0.108 1.00 0.00 C ATOM 570 CD GLU A 37 16.396 14.919 0.510 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.317 15.537 0.400 1.00 0.00 O ATOM 572 OE2 GLU A 37 17.446 15.446 0.934 1.00 0.00 O ATOM 0 H GLU A 37 13.962 10.858 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 37 13.810 13.598 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.901 12.265 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.589 13.977 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.132 12.844 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.457 13.179 -0.140 1.00 0.00 H new ATOM 579 N ILE A 38 12.772 12.231 -2.617 1.00 0.00 N ATOM 580 CA ILE A 38 11.906 12.408 -3.776 1.00 0.00 C ATOM 581 C ILE A 38 10.435 12.338 -3.379 1.00 0.00 C ATOM 582 O ILE A 38 9.623 13.154 -3.815 1.00 0.00 O ATOM 583 CB ILE A 38 12.187 11.348 -4.856 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.630 11.464 -5.352 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.209 11.497 -6.012 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.111 10.241 -6.101 1.00 0.00 C ATOM 0 H ILE A 38 13.043 11.264 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 38 12.123 13.395 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 38 12.052 10.359 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.713 12.335 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.286 11.639 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.421 10.740 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.190 11.369 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.314 12.489 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.141 10.393 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.060 9.370 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.479 10.077 -6.974 1.00 0.00 H new ATOM 598 N THR A 39 10.099 11.356 -2.548 1.00 0.00 N ATOM 599 CA THR A 39 8.726 11.178 -2.091 1.00 0.00 C ATOM 600 C THR A 39 8.253 12.385 -1.289 1.00 0.00 C ATOM 601 O THR A 39 7.104 12.813 -1.411 1.00 0.00 O ATOM 602 CB THR A 39 8.582 9.912 -1.226 1.00 0.00 C ATOM 603 OG1 THR A 39 8.767 8.744 -2.033 1.00 0.00 O ATOM 604 CG2 THR A 39 7.213 9.864 -0.563 1.00 0.00 C ATOM 0 H THR A 39 10.759 10.672 -2.178 1.00 0.00 H new ATOM 0 HA THR A 39 8.107 11.072 -2.982 1.00 0.00 H new ATOM 0 HB THR A 39 9.345 9.941 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.520 7.948 -1.518 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.134 8.961 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.086 10.740 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.438 9.856 -1.329 1.00 0.00 H new ATOM 612 N LYS A 40 9.144 12.931 -0.469 1.00 0.00 N ATOM 613 CA LYS A 40 8.818 14.091 0.352 1.00 0.00 C ATOM 614 C LYS A 40 8.372 15.264 -0.514 1.00 0.00 C ATOM 615 O LYS A 40 7.598 16.113 -0.074 1.00 0.00 O ATOM 616 CB LYS A 40 10.028 14.498 1.198 1.00 0.00 C ATOM 617 CG LYS A 40 11.150 15.127 0.390 1.00 0.00 C ATOM 618 CD LYS A 40 12.131 15.870 1.282 1.00 0.00 C ATOM 619 CE LYS A 40 11.672 17.296 1.549 1.00 0.00 C ATOM 620 NZ LYS A 40 12.308 17.863 2.770 1.00 0.00 N ATOM 0 H LYS A 40 10.098 12.589 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 40 7.995 13.818 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.705 15.202 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.412 13.618 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.678 14.352 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.730 15.816 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.239 15.338 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.114 15.885 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.913 17.922 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.588 17.314 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.970 18.835 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.058 17.280 3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.341 17.870 2.652 1.00 0.00 H new ATOM 634 N MET A 41 8.864 15.303 -1.748 1.00 0.00 N ATOM 635 CA MET A 41 8.513 16.371 -2.677 1.00 0.00 C ATOM 636 C MET A 41 7.147 16.117 -3.306 1.00 0.00 C ATOM 637 O MET A 41 6.296 17.006 -3.346 1.00 0.00 O ATOM 638 CB MET A 41 9.576 16.495 -3.771 1.00 0.00 C ATOM 639 CG MET A 41 10.847 17.187 -3.306 1.00 0.00 C ATOM 640 SD MET A 41 11.753 17.958 -4.661 1.00 0.00 S ATOM 641 CE MET A 41 12.189 16.521 -5.639 1.00 0.00 C ATOM 0 H MET A 41 9.507 14.608 -2.128 1.00 0.00 H new ATOM 0 HA MET A 41 8.468 17.305 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.827 15.499 -4.137 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.158 17.048 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.593 17.946 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.491 16.461 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 41 13.080 16.738 -6.228 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.388 15.678 -4.978 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.365 16.272 -6.307 1.00 0.00 H new ATOM 651 N LEU A 42 6.944 14.899 -3.796 1.00 0.00 N ATOM 652 CA LEU A 42 5.681 14.528 -4.424 1.00 0.00 C ATOM 653 C LEU A 42 4.512 14.743 -3.468 1.00 0.00 C ATOM 654 O LEU A 42 3.508 15.356 -3.826 1.00 0.00 O ATOM 655 CB LEU A 42 5.722 13.067 -4.875 1.00 0.00 C ATOM 656 CG LEU A 42 6.836 12.698 -5.857 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.716 11.242 -6.277 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.796 13.611 -7.074 1.00 0.00 C ATOM 0 H LEU A 42 7.638 14.152 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 42 5.537 15.167 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.821 12.437 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.764 12.822 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 42 7.795 12.832 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.516 10.998 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.793 10.602 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.752 11.081 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.595 13.335 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.833 13.508 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.931 14.645 -6.758 1.00 0.00 H new ATOM 670 N GLY A 43 4.653 14.238 -2.246 1.00 0.00 N ATOM 671 CA GLY A 43 3.604 14.387 -1.255 1.00 0.00 C ATOM 672 C GLY A 43 2.893 15.722 -1.360 1.00 0.00 C ATOM 673 O GLY A 43 1.668 15.774 -1.464 1.00 0.00 O ATOM 0 H GLY A 43 5.476 13.728 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.879 13.582 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.033 14.285 -0.258 1.00 0.00 H new ATOM 677 N ALA A 44 3.663 16.804 -1.332 1.00 0.00 N ATOM 678 CA ALA A 44 3.100 18.146 -1.425 1.00 0.00 C ATOM 679 C ALA A 44 2.137 18.255 -2.603 1.00 0.00 C ATOM 680 O ALA A 44 1.072 18.861 -2.490 1.00 0.00 O ATOM 681 CB ALA A 44 4.211 19.177 -1.552 1.00 0.00 C ATOM 0 H ALA A 44 4.679 16.778 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 44 2.540 18.343 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.776 20.174 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.859 19.123 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.795 18.974 -2.449 1.00 0.00 H new ATOM 687 N GLU A 45 2.520 17.668 -3.732 1.00 0.00 N ATOM 688 CA GLU A 45 1.690 17.703 -4.930 1.00 0.00 C ATOM 689 C GLU A 45 0.328 17.064 -4.668 1.00 0.00 C ATOM 690 O GLU A 45 -0.710 17.642 -4.985 1.00 0.00 O ATOM 691 CB GLU A 45 2.390 16.979 -6.083 1.00 0.00 C ATOM 692 CG GLU A 45 3.729 17.592 -6.461 1.00 0.00 C ATOM 693 CD GLU A 45 3.593 18.709 -7.478 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.208 18.418 -8.630 1.00 0.00 O ATOM 695 OE2 GLU A 45 3.872 19.873 -7.121 1.00 0.00 O ATOM 0 H GLU A 45 3.399 17.163 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 45 1.536 18.747 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.542 15.936 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.737 16.986 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.213 17.979 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.379 16.816 -6.864 1.00 0.00 H new ATOM 702 N TRP A 46 0.344 15.869 -4.087 1.00 0.00 N ATOM 703 CA TRP A 46 -0.888 15.152 -3.782 1.00 0.00 C ATOM 704 C TRP A 46 -1.917 16.082 -3.148 1.00 0.00 C ATOM 705 O TRP A 46 -3.115 15.965 -3.406 1.00 0.00 O ATOM 706 CB TRP A 46 -0.601 13.977 -2.847 1.00 0.00 C ATOM 707 CG TRP A 46 -1.839 13.329 -2.308 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.295 13.374 -1.021 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.781 12.537 -3.041 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.463 12.658 -0.911 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.782 12.135 -2.135 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.876 12.130 -4.374 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.863 11.346 -2.522 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.949 11.346 -4.757 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.931 10.962 -3.834 1.00 0.00 C ATOM 0 H TRP A 46 1.196 15.377 -3.818 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.298 14.771 -4.718 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.013 13.231 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.010 14.326 -2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.809 13.895 -0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.005 12.536 -0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.125 12.422 -5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.620 11.048 -1.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.031 11.024 -5.785 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.758 10.351 -4.164 1.00 0.00 H new ATOM 726 N SER A 47 -1.442 17.005 -2.318 1.00 0.00 N ATOM 727 CA SER A 47 -2.322 17.952 -1.644 1.00 0.00 C ATOM 728 C SER A 47 -2.740 19.073 -2.592 1.00 0.00 C ATOM 729 O SER A 47 -3.826 19.639 -2.463 1.00 0.00 O ATOM 730 CB SER A 47 -1.627 18.542 -0.415 1.00 0.00 C ATOM 731 OG SER A 47 -2.526 19.321 0.354 1.00 0.00 O ATOM 0 H SER A 47 -0.453 17.117 -2.096 1.00 0.00 H new ATOM 0 HA SER A 47 -3.216 17.416 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.221 17.738 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.785 19.158 -0.730 1.00 0.00 H new ATOM 0 HG SER A 47 -2.058 19.685 1.134 1.00 0.00 H new ATOM 737 N LYS A 48 -1.870 19.389 -3.544 1.00 0.00 N ATOM 738 CA LYS A 48 -2.146 20.441 -4.516 1.00 0.00 C ATOM 739 C LYS A 48 -2.765 19.862 -5.784 1.00 0.00 C ATOM 740 O LYS A 48 -2.820 20.525 -6.819 1.00 0.00 O ATOM 741 CB LYS A 48 -0.860 21.194 -4.862 1.00 0.00 C ATOM 742 CG LYS A 48 -0.273 21.966 -3.693 1.00 0.00 C ATOM 743 CD LYS A 48 1.041 22.630 -4.067 1.00 0.00 C ATOM 744 CE LYS A 48 2.164 21.613 -4.196 1.00 0.00 C ATOM 745 NZ LYS A 48 3.505 22.262 -4.185 1.00 0.00 N ATOM 0 H LYS A 48 -0.966 18.931 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.858 21.135 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.119 20.482 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.063 21.887 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.984 22.724 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.114 21.290 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.924 23.165 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.304 23.370 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.101 20.896 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.040 21.051 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.243 21.535 -4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.575 22.927 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.634 22.777 -3.291 1.00 0.00 H new ATOM 759 N LEU A 49 -3.232 18.621 -5.695 1.00 0.00 N ATOM 760 CA LEU A 49 -3.849 17.953 -6.835 1.00 0.00 C ATOM 761 C LEU A 49 -5.230 18.532 -7.124 1.00 0.00 C ATOM 762 O LEU A 49 -5.772 19.297 -6.326 1.00 0.00 O ATOM 763 CB LEU A 49 -3.961 16.450 -6.571 1.00 0.00 C ATOM 764 CG LEU A 49 -2.770 15.600 -7.018 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.979 14.144 -6.634 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.554 15.733 -8.519 1.00 0.00 C ATOM 0 H LEU A 49 -3.195 18.058 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.216 18.118 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.109 16.299 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.855 16.079 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.877 15.963 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.122 13.555 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.083 14.064 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.882 13.767 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.703 15.122 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.447 15.397 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.357 16.776 -8.767 1.00 0.00 H new ATOM 778 N GLN A 50 -5.795 18.162 -8.269 1.00 0.00 N ATOM 779 CA GLN A 50 -7.113 18.645 -8.662 1.00 0.00 C ATOM 780 C GLN A 50 -8.210 17.730 -8.127 1.00 0.00 C ATOM 781 O GLN A 50 -7.975 16.567 -7.797 1.00 0.00 O ATOM 782 CB GLN A 50 -7.211 18.742 -10.185 1.00 0.00 C ATOM 783 CG GLN A 50 -6.678 20.050 -10.747 1.00 0.00 C ATOM 784 CD GLN A 50 -6.502 20.009 -12.252 1.00 0.00 C ATOM 785 OE1 GLN A 50 -7.382 19.550 -12.980 1.00 0.00 O ATOM 786 NE2 GLN A 50 -5.360 20.493 -12.728 1.00 0.00 N ATOM 0 H GLN A 50 -5.360 17.529 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.251 19.637 -8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.660 17.914 -10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.253 18.627 -10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.361 20.858 -10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.721 20.279 -10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.657 20.864 -12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.186 20.494 -13.733 1.00 0.00 H new ATOM 795 N PRO A 51 -9.436 18.264 -8.039 1.00 0.00 N ATOM 796 CA PRO A 51 -10.594 17.512 -7.545 1.00 0.00 C ATOM 797 C PRO A 51 -11.033 16.420 -8.514 1.00 0.00 C ATOM 798 O PRO A 51 -11.995 15.698 -8.256 1.00 0.00 O ATOM 799 CB PRO A 51 -11.682 18.580 -7.415 1.00 0.00 C ATOM 800 CG PRO A 51 -11.293 19.639 -8.388 1.00 0.00 C ATOM 801 CD PRO A 51 -9.789 19.644 -8.415 1.00 0.00 C ATOM 0 HA PRO A 51 -10.374 16.992 -6.612 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.666 18.172 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.731 18.974 -6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.700 19.429 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.681 20.611 -8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.406 19.902 -9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.377 20.369 -7.714 1.00 0.00 H new ATOM 809 N ALA A 52 -10.320 16.305 -9.631 1.00 0.00 N ATOM 810 CA ALA A 52 -10.635 15.299 -10.638 1.00 0.00 C ATOM 811 C ALA A 52 -9.573 14.206 -10.672 1.00 0.00 C ATOM 812 O ALA A 52 -9.885 13.031 -10.863 1.00 0.00 O ATOM 813 CB ALA A 52 -10.772 15.949 -12.007 1.00 0.00 C ATOM 0 H ALA A 52 -9.521 16.896 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.585 14.837 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.007 15.187 -12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.572 16.689 -11.980 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.835 16.438 -12.273 1.00 0.00 H new ATOM 819 N GLU A 53 -8.317 14.602 -10.488 1.00 0.00 N ATOM 820 CA GLU A 53 -7.209 13.653 -10.501 1.00 0.00 C ATOM 821 C GLU A 53 -7.125 12.897 -9.178 1.00 0.00 C ATOM 822 O GLU A 53 -7.102 11.667 -9.153 1.00 0.00 O ATOM 823 CB GLU A 53 -5.890 14.381 -10.769 1.00 0.00 C ATOM 824 CG GLU A 53 -5.905 15.222 -12.034 1.00 0.00 C ATOM 825 CD GLU A 53 -6.311 14.426 -13.259 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.696 13.370 -13.511 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.245 14.860 -13.967 1.00 0.00 O ATOM 0 H GLU A 53 -8.042 15.571 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.389 12.934 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.660 15.023 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.088 13.647 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.594 16.056 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.915 15.648 -12.194 1.00 0.00 H new ATOM 834 N LYS A 54 -7.079 13.642 -8.079 1.00 0.00 N ATOM 835 CA LYS A 54 -6.998 13.045 -6.752 1.00 0.00 C ATOM 836 C LYS A 54 -8.117 12.029 -6.544 1.00 0.00 C ATOM 837 O LYS A 54 -7.880 10.924 -6.056 1.00 0.00 O ATOM 838 CB LYS A 54 -7.074 14.131 -5.675 1.00 0.00 C ATOM 839 CG LYS A 54 -6.368 13.758 -4.384 1.00 0.00 C ATOM 840 CD LYS A 54 -6.951 14.501 -3.193 1.00 0.00 C ATOM 841 CE LYS A 54 -5.904 14.740 -2.118 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.356 15.746 -1.117 1.00 0.00 N ATOM 0 H LYS A 54 -7.096 14.662 -8.082 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.042 12.529 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.637 15.050 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.121 14.343 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.452 12.684 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.305 13.985 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.359 15.456 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.779 13.928 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.681 13.800 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.978 15.080 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.614 15.881 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.545 16.650 -1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.225 15.410 -0.656 1.00 0.00 H new ATOM 856 N GLN A 55 -9.334 12.410 -6.917 1.00 0.00 N ATOM 857 CA GLN A 55 -10.488 11.531 -6.771 1.00 0.00 C ATOM 858 C GLN A 55 -10.336 10.287 -7.639 1.00 0.00 C ATOM 859 O GLN A 55 -10.590 9.169 -7.188 1.00 0.00 O ATOM 860 CB GLN A 55 -11.772 12.274 -7.145 1.00 0.00 C ATOM 861 CG GLN A 55 -13.039 11.489 -6.843 1.00 0.00 C ATOM 862 CD GLN A 55 -13.201 10.277 -7.739 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.956 10.343 -8.944 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.615 9.159 -7.154 1.00 0.00 N ATOM 0 H GLN A 55 -9.547 13.321 -7.323 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.547 11.220 -5.728 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.804 13.221 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.747 12.513 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.023 11.167 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.904 12.142 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.807 9.148 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.741 8.311 -7.706 1.00 0.00 H new ATOM 873 N ARG A 56 -9.922 10.487 -8.886 1.00 0.00 N ATOM 874 CA ARG A 56 -9.738 9.380 -9.817 1.00 0.00 C ATOM 875 C ARG A 56 -8.706 8.389 -9.287 1.00 0.00 C ATOM 876 O ARG A 56 -8.988 7.198 -9.149 1.00 0.00 O ATOM 877 CB ARG A 56 -9.303 9.904 -11.186 1.00 0.00 C ATOM 878 CG ARG A 56 -9.173 8.818 -12.241 1.00 0.00 C ATOM 879 CD ARG A 56 -8.144 9.188 -13.298 1.00 0.00 C ATOM 880 NE ARG A 56 -6.804 8.732 -12.939 1.00 0.00 N ATOM 881 CZ ARG A 56 -5.785 8.702 -13.791 1.00 0.00 C ATOM 882 NH1 ARG A 56 -5.953 9.099 -15.045 1.00 0.00 N ATOM 883 NH2 ARG A 56 -4.595 8.274 -13.389 1.00 0.00 N ATOM 0 H ARG A 56 -9.708 11.405 -9.275 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.692 8.863 -9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.025 10.646 -11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.346 10.415 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.887 7.880 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.140 8.653 -12.716 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.432 8.750 -14.254 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.135 10.270 -13.433 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.641 8.419 -11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.866 9.428 -15.358 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.169 9.075 -15.697 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.462 7.968 -12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.813 8.251 -14.044 1.00 0.00 H new ATOM 897 N TYR A 57 -7.511 8.889 -8.993 1.00 0.00 N ATOM 898 CA TYR A 57 -6.436 8.047 -8.482 1.00 0.00 C ATOM 899 C TYR A 57 -6.965 7.052 -7.454 1.00 0.00 C ATOM 900 O TYR A 57 -6.681 5.856 -7.527 1.00 0.00 O ATOM 901 CB TYR A 57 -5.339 8.911 -7.855 1.00 0.00 C ATOM 902 CG TYR A 57 -4.465 9.610 -8.871 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.963 8.929 -9.973 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.144 10.955 -8.730 1.00 0.00 C ATOM 905 CE1 TYR A 57 -3.164 9.565 -10.903 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.346 11.599 -9.656 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.858 10.901 -10.740 1.00 0.00 C ATOM 908 OH TYR A 57 -2.063 11.537 -11.665 1.00 0.00 O ATOM 0 H TYR A 57 -7.262 9.872 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.017 7.488 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.801 9.658 -7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.713 8.284 -7.220 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.202 7.884 -10.105 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.525 11.506 -7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.781 9.020 -11.753 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.106 12.644 -9.531 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.944 12.474 -11.405 1.00 0.00 H new ATOM 918 N LEU A 58 -7.736 7.555 -6.496 1.00 0.00 N ATOM 919 CA LEU A 58 -8.307 6.712 -5.452 1.00 0.00 C ATOM 920 C LEU A 58 -9.195 5.627 -6.053 1.00 0.00 C ATOM 921 O LEU A 58 -9.232 4.498 -5.563 1.00 0.00 O ATOM 922 CB LEU A 58 -9.114 7.560 -4.468 1.00 0.00 C ATOM 923 CG LEU A 58 -8.409 8.800 -3.916 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.426 9.867 -3.539 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.548 8.435 -2.717 1.00 0.00 C ATOM 0 H LEU A 58 -7.980 8.543 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.487 6.231 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.032 7.878 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.405 6.928 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.760 9.203 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.907 10.742 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.001 10.150 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.100 9.474 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.054 9.330 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.176 8.008 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.796 7.705 -3.018 1.00 0.00 H new ATOM 937 N ASP A 59 -9.908 5.976 -7.118 1.00 0.00 N ATOM 938 CA ASP A 59 -10.794 5.031 -7.788 1.00 0.00 C ATOM 939 C ASP A 59 -9.992 3.998 -8.574 1.00 0.00 C ATOM 940 O ASP A 59 -10.316 2.811 -8.567 1.00 0.00 O ATOM 941 CB ASP A 59 -11.750 5.772 -8.724 1.00 0.00 C ATOM 942 CG ASP A 59 -13.030 6.195 -8.028 1.00 0.00 C ATOM 943 OD1 ASP A 59 -12.997 6.392 -6.796 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.063 6.329 -8.717 1.00 0.00 O ATOM 0 H ASP A 59 -9.890 6.906 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.374 4.511 -7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.250 6.653 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.995 5.131 -9.571 1.00 0.00 H new ATOM 949 N GLU A 60 -8.945 4.459 -9.251 1.00 0.00 N ATOM 950 CA GLU A 60 -8.099 3.575 -10.043 1.00 0.00 C ATOM 951 C GLU A 60 -7.539 2.443 -9.184 1.00 0.00 C ATOM 952 O GLU A 60 -7.283 1.345 -9.676 1.00 0.00 O ATOM 953 CB GLU A 60 -6.950 4.363 -10.676 1.00 0.00 C ATOM 954 CG GLU A 60 -7.388 5.266 -11.817 1.00 0.00 C ATOM 955 CD GLU A 60 -7.797 4.488 -13.053 1.00 0.00 C ATOM 956 OE1 GLU A 60 -6.902 3.959 -13.745 1.00 0.00 O ATOM 957 OE2 GLU A 60 -9.013 4.407 -13.328 1.00 0.00 O ATOM 0 H GLU A 60 -8.663 5.439 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.712 3.141 -10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.470 4.969 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.200 3.663 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.224 5.882 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.573 5.944 -12.072 1.00 0.00 H new ATOM 964 N ALA A 61 -7.355 2.721 -7.898 1.00 0.00 N ATOM 965 CA ALA A 61 -6.828 1.728 -6.970 1.00 0.00 C ATOM 966 C ALA A 61 -7.948 0.871 -6.390 1.00 0.00 C ATOM 967 O ALA A 61 -7.740 0.130 -5.430 1.00 0.00 O ATOM 968 CB ALA A 61 -6.049 2.408 -5.855 1.00 0.00 C ATOM 0 H ALA A 61 -7.563 3.625 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.153 1.073 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.661 1.654 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.219 2.971 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.707 3.087 -5.313 1.00 0.00 H new ATOM 974 N GLU A 62 -9.135 0.979 -6.979 1.00 0.00 N ATOM 975 CA GLU A 62 -10.288 0.213 -6.518 1.00 0.00 C ATOM 976 C GLU A 62 -10.509 -1.018 -7.393 1.00 0.00 C ATOM 977 O GLU A 62 -10.469 -2.150 -6.912 1.00 0.00 O ATOM 978 CB GLU A 62 -11.543 1.088 -6.522 1.00 0.00 C ATOM 979 CG GLU A 62 -11.456 2.281 -5.586 1.00 0.00 C ATOM 980 CD GLU A 62 -11.806 1.926 -4.153 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.412 0.854 -3.941 1.00 0.00 O ATOM 982 OE2 GLU A 62 -11.474 2.717 -3.247 1.00 0.00 O ATOM 0 H GLU A 62 -9.324 1.588 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.088 -0.119 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.724 1.445 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.402 0.478 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.446 2.691 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.129 3.063 -5.937 1.00 0.00 H new ATOM 989 N LYS A 63 -10.742 -0.786 -8.680 1.00 0.00 N ATOM 990 CA LYS A 63 -10.969 -1.874 -9.624 1.00 0.00 C ATOM 991 C LYS A 63 -9.818 -2.874 -9.590 1.00 0.00 C ATOM 992 O LYS A 63 -10.033 -4.079 -9.468 1.00 0.00 O ATOM 993 CB LYS A 63 -11.136 -1.321 -11.041 1.00 0.00 C ATOM 994 CG LYS A 63 -12.571 -0.962 -11.388 1.00 0.00 C ATOM 995 CD LYS A 63 -12.975 0.372 -10.784 1.00 0.00 C ATOM 996 CE LYS A 63 -12.381 1.537 -11.561 1.00 0.00 C ATOM 997 NZ LYS A 63 -11.027 1.905 -11.063 1.00 0.00 N ATOM 0 H LYS A 63 -10.779 0.146 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.884 -2.390 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.511 -0.435 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.772 -2.059 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.685 -0.921 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.240 -1.743 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.062 0.455 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.644 0.418 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.320 1.275 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.043 2.400 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.806 2.881 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.007 1.833 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.320 1.258 -11.468 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.594 -2.364 -9.698 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.409 -3.214 -9.679 1.00 0.00 C ATOM 1013 C GLU A 64 -7.348 -4.033 -8.393 1.00 0.00 C ATOM 1014 O GLU A 64 -7.162 -5.250 -8.426 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.143 -2.365 -9.816 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.064 -1.599 -11.126 1.00 0.00 C ATOM 1017 CD GLU A 64 -6.033 -2.512 -12.336 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.943 -3.026 -12.664 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -7.099 -2.714 -12.953 1.00 0.00 O ATOM 0 H GLU A 64 -8.398 -1.368 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.471 -3.900 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.098 -1.658 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.270 -3.012 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.921 -0.929 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.171 -0.975 -11.124 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.506 -3.358 -7.260 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.470 -4.021 -5.962 1.00 0.00 C ATOM 1028 C LYS A 65 -8.211 -5.354 -6.011 1.00 0.00 C ATOM 1029 O LYS A 65 -7.637 -6.403 -5.721 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.088 -3.122 -4.889 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.049 -3.723 -3.495 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.744 -2.828 -2.482 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.256 -2.943 -2.583 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.940 -1.718 -2.085 1.00 0.00 N ATOM 0 H LYS A 65 -7.660 -2.351 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.427 -4.213 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.561 -2.168 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.124 -2.911 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.528 -4.702 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.013 -3.879 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.424 -3.098 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.445 -1.792 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.538 -3.120 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.594 -3.806 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.970 -1.836 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.691 -1.563 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.638 -0.898 -2.649 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.486 -5.304 -6.381 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.303 -6.508 -6.470 1.00 0.00 C ATOM 1050 C GLN A 66 -9.485 -7.684 -6.992 1.00 0.00 C ATOM 1051 O GLN A 66 -9.468 -8.756 -6.389 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.510 -6.266 -7.377 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.513 -5.275 -6.807 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.767 -5.163 -7.651 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -13.717 -4.725 -8.800 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -14.900 -5.558 -7.083 1.00 0.00 N ATOM 0 H GLN A 66 -9.976 -4.443 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.656 -6.752 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.160 -5.901 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.013 -7.216 -7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.786 -5.580 -5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.044 -4.294 -6.728 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.894 -5.915 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.776 -5.505 -7.602 1.00 0.00 H new ATOM 1065 N GLN A 67 -8.810 -7.475 -8.118 1.00 0.00 N ATOM 1066 CA GLN A 67 -7.992 -8.519 -8.723 1.00 0.00 C ATOM 1067 C GLN A 67 -7.081 -9.166 -7.684 1.00 0.00 C ATOM 1068 O GLN A 67 -7.037 -10.390 -7.560 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.153 -7.941 -9.864 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.686 -8.987 -10.864 1.00 0.00 C ATOM 1071 CD GLN A 67 -6.070 -8.372 -12.106 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -4.906 -8.623 -12.425 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -6.847 -7.561 -12.814 1.00 0.00 N ATOM 0 H GLN A 67 -8.814 -6.592 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.659 -9.283 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.738 -7.185 -10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.282 -7.436 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.956 -9.641 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.532 -9.611 -11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.805 -7.381 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.486 -7.118 -13.659 1.00 0.00 H new ATOM 1082 N TYR A 68 -6.356 -8.337 -6.942 1.00 0.00 N ATOM 1083 CA TYR A 68 -5.443 -8.829 -5.917 1.00 0.00 C ATOM 1084 C TYR A 68 -6.203 -9.569 -4.821 1.00 0.00 C ATOM 1085 O TYR A 68 -5.813 -10.662 -4.407 1.00 0.00 O ATOM 1086 CB TYR A 68 -4.653 -7.669 -5.309 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.229 -7.909 -3.878 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.127 -7.744 -2.831 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -2.931 -8.301 -3.573 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -4.744 -7.962 -1.521 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -2.540 -8.522 -2.267 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.450 -8.351 -1.244 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.065 -8.570 0.059 1.00 0.00 O ATOM 0 H TYR A 68 -6.383 -7.321 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.750 -9.526 -6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.766 -7.487 -5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.260 -6.765 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.141 -7.440 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.216 -8.435 -4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.454 -7.828 -0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.527 -8.827 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.123 -8.839 0.081 1.00 0.00 H new ATOM 1103 N LEU A 69 -7.292 -8.967 -4.355 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.111 -9.569 -3.308 1.00 0.00 C ATOM 1105 C LEU A 69 -8.368 -11.044 -3.598 1.00 0.00 C ATOM 1106 O LEU A 69 -8.027 -11.914 -2.796 1.00 0.00 O ATOM 1107 CB LEU A 69 -9.440 -8.823 -3.180 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.409 -7.530 -2.363 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -10.744 -6.809 -2.456 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.059 -7.826 -0.912 1.00 0.00 C ATOM 0 H LEU A 69 -7.628 -8.063 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.567 -9.493 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.799 -8.588 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.170 -9.496 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.639 -6.879 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.704 -5.892 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.954 -6.564 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.533 -7.453 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.041 -6.895 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.806 -8.496 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.078 -8.299 -0.864 1.00 0.00 H new ATOM 1122 N LYS A 70 -8.970 -11.319 -4.749 1.00 0.00 N ATOM 1123 CA LYS A 70 -9.271 -12.689 -5.148 1.00 0.00 C ATOM 1124 C LYS A 70 -8.002 -13.533 -5.195 1.00 0.00 C ATOM 1125 O LYS A 70 -8.038 -14.739 -4.953 1.00 0.00 O ATOM 1126 CB LYS A 70 -9.958 -12.705 -6.516 1.00 0.00 C ATOM 1127 CG LYS A 70 -9.211 -11.920 -7.580 1.00 0.00 C ATOM 1128 CD LYS A 70 -9.883 -12.045 -8.938 1.00 0.00 C ATOM 1129 CE LYS A 70 -11.074 -11.107 -9.060 1.00 0.00 C ATOM 1130 NZ LYS A 70 -11.507 -10.942 -10.474 1.00 0.00 N ATOM 0 H LYS A 70 -9.260 -10.611 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.944 -13.117 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.066 -13.738 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.963 -12.296 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.162 -10.870 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.184 -12.280 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.161 -11.822 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.212 -13.073 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.904 -11.495 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.814 -10.134 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.321 -10.296 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.724 -10.548 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.780 -11.867 -10.864 1.00 0.00 H new ATOM 1144 N GLU A 71 -6.880 -12.890 -5.507 1.00 0.00 N ATOM 1145 CA GLU A 71 -5.600 -13.583 -5.586 1.00 0.00 C ATOM 1146 C GLU A 71 -5.041 -13.853 -4.192 1.00 0.00 C ATOM 1147 O GLU A 71 -3.923 -14.348 -4.044 1.00 0.00 O ATOM 1148 CB GLU A 71 -4.598 -12.761 -6.398 1.00 0.00 C ATOM 1149 CG GLU A 71 -4.887 -12.750 -7.890 1.00 0.00 C ATOM 1150 CD GLU A 71 -3.651 -12.461 -8.722 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -2.821 -11.639 -8.283 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -3.515 -13.058 -9.810 1.00 0.00 O ATOM 0 H GLU A 71 -6.832 -11.891 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.764 -14.538 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.598 -11.735 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.597 -13.159 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.300 -13.715 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.648 -11.999 -8.103 1.00 0.00 H new ATOM 1159 N LEU A 72 -5.826 -13.522 -3.173 1.00 0.00 N ATOM 1160 CA LEU A 72 -5.411 -13.728 -1.788 1.00 0.00 C ATOM 1161 C LEU A 72 -6.143 -14.915 -1.171 1.00 0.00 C ATOM 1162 O LEU A 72 -5.531 -15.766 -0.526 1.00 0.00 O ATOM 1163 CB LEU A 72 -5.674 -12.467 -0.964 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.132 -12.474 0.465 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -3.642 -12.781 0.469 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -5.405 -11.140 1.146 1.00 0.00 C ATOM 0 H LEU A 72 -6.753 -13.110 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.342 -13.942 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.242 -11.616 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.751 -12.303 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.645 -13.256 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.273 -12.782 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.471 -13.760 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.112 -12.021 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.012 -11.163 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.919 -10.340 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.480 -10.960 1.176 1.00 0.00 H new