USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 33 GLN : amide:sc= -0.733! K(o=-0.27!,f=-2) USER MOD Set 1.2: A 40 ASN : amide:sc= 0.46 K(o=-0.27,f=-2) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0109 (180deg=-0.102) USER MOD Single : A 16 THR OG1 : rot 76:sc= 0.0958 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.06) USER MOD Single : A 26 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 91:sc= 1.31 USER MOD Single : A 34 SER OG : rot -91:sc= 1.25 USER MOD Single : A 35 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.014) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.286 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 53 THR OG1 : rot 93:sc= 0.795 USER MOD Single : A 58 TYR OH : rot 23:sc= -3.13! USER MOD Single : A 60 GLN : amide:sc= -0.591 K(o=-0.59,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 66 THR OG1 : rot 68:sc= 1.31 USER MOD Single : A 68 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.882 -10.568 -1.025 1.00 0.00 N ATOM 78 CA LYS A 6 -5.830 -9.959 -0.251 1.00 0.00 C ATOM 79 C LYS A 6 -5.396 -8.719 -0.991 1.00 0.00 C ATOM 80 O LYS A 6 -5.520 -8.660 -2.224 1.00 0.00 O ATOM 81 CB LYS A 6 -4.611 -10.876 -0.115 1.00 0.00 C ATOM 82 CG LYS A 6 -4.819 -12.185 0.621 1.00 0.00 C ATOM 83 CD LYS A 6 -5.362 -11.972 2.021 1.00 0.00 C ATOM 84 CE LYS A 6 -5.323 -13.259 2.828 1.00 0.00 C ATOM 85 NZ LYS A 6 -5.989 -14.388 2.139 1.00 0.00 N ATOM 0 HA LYS A 6 -6.207 -9.747 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.244 -11.104 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.824 -10.321 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.509 -12.812 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.873 -12.723 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.777 -11.204 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.387 -11.606 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.285 -13.524 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.804 -13.093 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.084 -15.189 2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.932 -14.091 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.419 -14.679 1.319 1.00 0.00 H new ATOM 99 N LEU A 7 -4.900 -7.754 -0.290 1.00 0.00 N ATOM 100 CA LEU A 7 -4.464 -6.551 -0.925 1.00 0.00 C ATOM 101 C LEU A 7 -3.032 -6.727 -1.360 1.00 0.00 C ATOM 102 O LEU A 7 -2.125 -6.807 -0.536 1.00 0.00 O ATOM 103 CB LEU A 7 -4.618 -5.360 0.006 1.00 0.00 C ATOM 104 CG LEU A 7 -6.037 -5.101 0.525 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.052 -3.895 1.420 1.00 0.00 C ATOM 106 CD2 LEU A 7 -7.024 -4.923 -0.621 1.00 0.00 C ATOM 0 H LEU A 7 -4.786 -7.773 0.723 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.083 -6.352 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.958 -5.504 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.273 -4.467 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.348 -5.973 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.066 -3.723 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.388 -4.063 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.713 -3.023 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.020 -4.741 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.720 -4.075 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.039 -5.826 -1.232 1.00 0.00 H new ATOM 118 N VAL A 8 -2.846 -6.872 -2.637 1.00 0.00 N ATOM 119 CA VAL A 8 -1.542 -7.077 -3.193 1.00 0.00 C ATOM 120 C VAL A 8 -1.019 -5.758 -3.736 1.00 0.00 C ATOM 121 O VAL A 8 -1.589 -5.190 -4.665 1.00 0.00 O ATOM 122 CB VAL A 8 -1.566 -8.149 -4.320 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.163 -8.441 -4.819 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.234 -9.433 -3.835 1.00 0.00 C ATOM 0 H VAL A 8 -3.598 -6.851 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.882 -7.442 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.150 -7.749 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.206 -9.193 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.280 -7.527 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.446 -8.813 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.239 -10.167 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.682 -9.831 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.259 -9.218 -3.534 1.00 0.00 H new ATOM 134 N LEU A 9 0.029 -5.276 -3.136 1.00 0.00 N ATOM 135 CA LEU A 9 0.638 -4.032 -3.520 1.00 0.00 C ATOM 136 C LEU A 9 1.878 -4.315 -4.324 1.00 0.00 C ATOM 137 O LEU A 9 2.722 -5.130 -3.916 1.00 0.00 O ATOM 138 CB LEU A 9 1.009 -3.157 -2.295 1.00 0.00 C ATOM 139 CG LEU A 9 -0.132 -2.670 -1.373 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.264 -2.039 -2.160 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.642 -3.772 -0.462 1.00 0.00 C ATOM 0 H LEU A 9 0.493 -5.740 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.088 -3.477 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.713 -3.721 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.539 -2.278 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 9 0.294 -1.896 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.045 -1.710 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.886 -1.182 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.676 -2.771 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.443 -3.383 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.023 -4.596 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.173 -4.130 0.168 1.00 0.00 H new ATOM 153 N ASP A 10 1.976 -3.687 -5.462 1.00 0.00 N ATOM 154 CA ASP A 10 3.128 -3.855 -6.327 1.00 0.00 C ATOM 155 C ASP A 10 4.237 -2.926 -5.853 1.00 0.00 C ATOM 156 O ASP A 10 4.102 -1.695 -5.907 1.00 0.00 O ATOM 157 CB ASP A 10 2.765 -3.529 -7.768 1.00 0.00 C ATOM 158 CG ASP A 10 3.823 -3.974 -8.760 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.957 -3.471 -8.723 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.498 -4.798 -9.647 1.00 0.00 O ATOM 0 H ASP A 10 1.269 -3.046 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 10 3.463 -4.891 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.818 -4.008 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.613 -2.454 -7.865 1.00 0.00 H new ATOM 165 N LEU A 11 5.316 -3.504 -5.412 1.00 0.00 N ATOM 166 CA LEU A 11 6.413 -2.765 -4.831 1.00 0.00 C ATOM 167 C LEU A 11 7.246 -2.082 -5.895 1.00 0.00 C ATOM 168 O LEU A 11 7.801 -1.008 -5.662 1.00 0.00 O ATOM 169 CB LEU A 11 7.287 -3.683 -3.970 1.00 0.00 C ATOM 170 CG LEU A 11 6.571 -4.419 -2.829 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.554 -5.259 -2.031 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.835 -3.438 -1.922 1.00 0.00 C ATOM 0 H LEU A 11 5.467 -4.512 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 11 5.989 -1.990 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.750 -4.425 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.093 -3.087 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 11 5.831 -5.087 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.026 -5.772 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.020 -5.995 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.323 -4.614 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.336 -3.986 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.548 -2.736 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.093 -2.891 -2.504 1.00 0.00 H new ATOM 184 N GLU A 12 7.302 -2.662 -7.073 1.00 0.00 N ATOM 185 CA GLU A 12 8.082 -2.066 -8.133 1.00 0.00 C ATOM 186 C GLU A 12 7.351 -0.893 -8.747 1.00 0.00 C ATOM 187 O GLU A 12 7.970 0.086 -9.166 1.00 0.00 O ATOM 188 CB GLU A 12 8.529 -3.078 -9.171 1.00 0.00 C ATOM 189 CG GLU A 12 9.528 -4.074 -8.623 1.00 0.00 C ATOM 190 CD GLU A 12 10.163 -4.899 -9.697 1.00 0.00 C ATOM 191 OE1 GLU A 12 11.039 -4.378 -10.416 1.00 0.00 O ATOM 192 OE2 GLU A 12 9.833 -6.093 -9.833 1.00 0.00 O ATOM 0 H GLU A 12 6.826 -3.530 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 12 8.999 -1.683 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.658 -3.614 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.972 -2.553 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.303 -3.541 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.028 -4.732 -7.912 1.00 0.00 H new ATOM 199 N ARG A 13 6.033 -0.982 -8.771 1.00 0.00 N ATOM 200 CA ARG A 13 5.192 0.126 -9.198 1.00 0.00 C ATOM 201 C ARG A 13 5.384 1.266 -8.208 1.00 0.00 C ATOM 202 O ARG A 13 5.499 2.428 -8.581 1.00 0.00 O ATOM 203 CB ARG A 13 3.717 -0.289 -9.178 1.00 0.00 C ATOM 204 CG ARG A 13 2.759 0.780 -9.682 1.00 0.00 C ATOM 205 CD ARG A 13 2.831 0.938 -11.188 1.00 0.00 C ATOM 206 NE ARG A 13 2.322 -0.256 -11.880 1.00 0.00 N ATOM 207 CZ ARG A 13 2.064 -0.332 -13.190 1.00 0.00 C ATOM 208 NH1 ARG A 13 2.394 0.666 -14.002 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.494 -1.416 -13.684 1.00 0.00 N ATOM 0 H ARG A 13 5.517 -1.818 -8.497 1.00 0.00 H new ATOM 0 HA ARG A 13 5.465 0.426 -10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.596 -1.185 -9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.441 -0.556 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.741 0.521 -9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.994 1.732 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.252 1.810 -11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.863 1.121 -11.487 1.00 0.00 H new ATOM 0 HE ARG A 13 2.153 -1.090 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.848 1.499 -13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.193 0.599 -15.000 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.252 -2.191 -13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.296 -1.478 -14.683 1.00 0.00 H new ATOM 223 N LEU A 14 5.451 0.890 -6.937 1.00 0.00 N ATOM 224 CA LEU A 14 5.631 1.812 -5.830 1.00 0.00 C ATOM 225 C LEU A 14 6.994 2.512 -5.915 1.00 0.00 C ATOM 226 O LEU A 14 7.147 3.655 -5.494 1.00 0.00 O ATOM 227 CB LEU A 14 5.516 1.045 -4.516 1.00 0.00 C ATOM 228 CG LEU A 14 5.655 1.854 -3.235 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.506 2.843 -3.088 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.743 0.924 -2.042 1.00 0.00 C ATOM 0 H LEU A 14 5.380 -0.085 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 14 4.857 2.578 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.548 0.545 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.278 0.265 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 14 6.576 2.434 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.629 3.409 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.505 3.528 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.561 2.301 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.842 1.511 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.839 0.317 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.611 0.273 -2.151 1.00 0.00 H new ATOM 242 N ALA A 15 7.972 1.828 -6.471 1.00 0.00 N ATOM 243 CA ALA A 15 9.302 2.389 -6.641 1.00 0.00 C ATOM 244 C ALA A 15 9.299 3.496 -7.697 1.00 0.00 C ATOM 245 O ALA A 15 10.161 4.381 -7.694 1.00 0.00 O ATOM 246 CB ALA A 15 10.294 1.302 -7.004 1.00 0.00 C ATOM 0 H ALA A 15 7.872 0.874 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 15 9.608 2.832 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.285 1.740 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.323 0.556 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.988 0.827 -7.936 1.00 0.00 H new ATOM 252 N THR A 16 8.325 3.452 -8.573 1.00 0.00 N ATOM 253 CA THR A 16 8.170 4.438 -9.616 1.00 0.00 C ATOM 254 C THR A 16 7.279 5.614 -9.110 1.00 0.00 C ATOM 255 O THR A 16 7.098 6.638 -9.787 1.00 0.00 O ATOM 256 CB THR A 16 7.551 3.755 -10.861 1.00 0.00 C ATOM 257 OG1 THR A 16 8.309 2.566 -11.143 1.00 0.00 O ATOM 258 CG2 THR A 16 7.599 4.662 -12.090 1.00 0.00 C ATOM 0 H THR A 16 7.611 2.724 -8.583 1.00 0.00 H new ATOM 0 HA THR A 16 9.140 4.854 -9.889 1.00 0.00 H new ATOM 0 HB THR A 16 6.507 3.529 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.068 1.865 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.155 4.145 -12.941 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.041 5.577 -11.889 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.635 4.912 -12.317 1.00 0.00 H new ATOM 266 N VAL A 17 6.749 5.464 -7.915 1.00 0.00 N ATOM 267 CA VAL A 17 5.939 6.494 -7.294 1.00 0.00 C ATOM 268 C VAL A 17 6.875 7.418 -6.497 1.00 0.00 C ATOM 269 O VAL A 17 7.805 6.929 -5.845 1.00 0.00 O ATOM 270 CB VAL A 17 4.847 5.860 -6.359 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.994 6.920 -5.666 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.950 4.921 -7.154 1.00 0.00 C ATOM 0 H VAL A 17 6.866 4.626 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 17 5.412 7.066 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 17 5.374 5.300 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.254 6.433 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.632 7.559 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.486 7.526 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.198 4.489 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.456 5.477 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.552 4.123 -7.588 1.00 0.00 H new ATOM 282 N PRO A 18 6.701 8.752 -6.597 1.00 0.00 N ATOM 283 CA PRO A 18 7.543 9.726 -5.888 1.00 0.00 C ATOM 284 C PRO A 18 7.607 9.484 -4.361 1.00 0.00 C ATOM 285 O PRO A 18 6.584 9.151 -3.701 1.00 0.00 O ATOM 286 CB PRO A 18 6.897 11.083 -6.226 1.00 0.00 C ATOM 287 CG PRO A 18 5.549 10.752 -6.766 1.00 0.00 C ATOM 288 CD PRO A 18 5.699 9.427 -7.437 1.00 0.00 C ATOM 0 HA PRO A 18 8.585 9.658 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.822 11.714 -5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.491 11.630 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.808 10.706 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.212 11.512 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.758 8.878 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.038 9.531 -8.468 1.00 0.00 H new ATOM 296 N ALA A 19 8.803 9.699 -3.806 1.00 0.00 N ATOM 297 CA ALA A 19 9.153 9.417 -2.406 1.00 0.00 C ATOM 298 C ALA A 19 8.274 10.137 -1.394 1.00 0.00 C ATOM 299 O ALA A 19 8.206 9.715 -0.233 1.00 0.00 O ATOM 300 CB ALA A 19 10.610 9.753 -2.147 1.00 0.00 C ATOM 0 H ALA A 19 9.583 10.088 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 19 8.979 8.350 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.853 9.539 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.244 9.152 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.781 10.810 -2.349 1.00 0.00 H new ATOM 306 N GLU A 20 7.613 11.208 -1.827 1.00 0.00 N ATOM 307 CA GLU A 20 6.701 11.998 -0.985 1.00 0.00 C ATOM 308 C GLU A 20 5.677 11.105 -0.269 1.00 0.00 C ATOM 309 O GLU A 20 5.381 11.297 0.900 1.00 0.00 O ATOM 310 CB GLU A 20 5.956 13.040 -1.834 1.00 0.00 C ATOM 311 CG GLU A 20 5.197 12.433 -3.007 1.00 0.00 C ATOM 312 CD GLU A 20 4.266 13.386 -3.678 1.00 0.00 C ATOM 313 OE1 GLU A 20 3.096 13.458 -3.260 1.00 0.00 O ATOM 314 OE2 GLU A 20 4.654 14.039 -4.651 1.00 0.00 O ATOM 0 H GLU A 20 7.692 11.560 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 20 7.308 12.501 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.255 13.582 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.672 13.769 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.914 12.063 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.629 11.572 -2.654 1.00 0.00 H new ATOM 321 N LYS A 21 5.153 10.127 -0.981 1.00 0.00 N ATOM 322 CA LYS A 21 4.171 9.238 -0.416 1.00 0.00 C ATOM 323 C LYS A 21 4.627 7.798 -0.506 1.00 0.00 C ATOM 324 O LYS A 21 4.211 6.962 0.286 1.00 0.00 O ATOM 325 CB LYS A 21 2.800 9.413 -1.087 1.00 0.00 C ATOM 326 CG LYS A 21 2.154 10.788 -0.874 1.00 0.00 C ATOM 327 CD LYS A 21 0.718 10.817 -1.390 1.00 0.00 C ATOM 328 CE LYS A 21 0.624 10.743 -2.912 1.00 0.00 C ATOM 329 NZ LYS A 21 0.903 12.035 -3.571 1.00 0.00 N ATOM 0 H LYS A 21 5.395 9.932 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 21 4.063 9.499 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.910 9.240 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.124 8.646 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.165 11.036 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.741 11.550 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.166 9.982 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.234 11.731 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.328 9.995 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.374 10.406 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.009 11.887 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.116 12.691 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.782 12.438 -3.187 1.00 0.00 H new ATOM 343 N ALA A 22 5.499 7.512 -1.455 1.00 0.00 N ATOM 344 CA ALA A 22 5.974 6.162 -1.636 1.00 0.00 C ATOM 345 C ALA A 22 6.989 5.789 -0.584 1.00 0.00 C ATOM 346 O ALA A 22 6.951 4.683 -0.071 1.00 0.00 O ATOM 347 CB ALA A 22 6.564 5.981 -3.011 1.00 0.00 C ATOM 0 H ALA A 22 5.888 8.194 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 22 5.116 5.498 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.915 4.955 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.803 6.189 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.401 6.668 -3.141 1.00 0.00 H new ATOM 353 N GLY A 23 7.848 6.749 -0.231 1.00 0.00 N ATOM 354 CA GLY A 23 8.958 6.532 0.712 1.00 0.00 C ATOM 355 C GLY A 23 8.567 5.776 1.980 1.00 0.00 C ATOM 356 O GLY A 23 9.108 4.689 2.234 1.00 0.00 O ATOM 0 H GLY A 23 7.797 7.702 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.749 5.980 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.374 7.499 0.994 1.00 0.00 H new ATOM 360 N PRO A 24 7.621 6.312 2.793 1.00 0.00 N ATOM 361 CA PRO A 24 7.143 5.642 4.013 1.00 0.00 C ATOM 362 C PRO A 24 6.675 4.191 3.760 1.00 0.00 C ATOM 363 O PRO A 24 6.965 3.284 4.560 1.00 0.00 O ATOM 364 CB PRO A 24 5.960 6.513 4.443 1.00 0.00 C ATOM 365 CG PRO A 24 6.287 7.865 3.931 1.00 0.00 C ATOM 366 CD PRO A 24 6.975 7.641 2.621 1.00 0.00 C ATOM 0 HA PRO A 24 7.931 5.552 4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.024 6.146 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.843 6.517 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.386 8.465 3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.932 8.402 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.268 7.640 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.708 8.420 2.414 1.00 0.00 H new ATOM 374 N LEU A 25 6.009 3.967 2.632 1.00 0.00 N ATOM 375 CA LEU A 25 5.485 2.644 2.296 1.00 0.00 C ATOM 376 C LEU A 25 6.602 1.720 1.833 1.00 0.00 C ATOM 377 O LEU A 25 6.624 0.540 2.186 1.00 0.00 O ATOM 378 CB LEU A 25 4.364 2.734 1.245 1.00 0.00 C ATOM 379 CG LEU A 25 3.708 1.401 0.811 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.206 0.604 2.008 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.559 1.671 -0.142 1.00 0.00 C ATOM 0 H LEU A 25 5.818 4.685 1.933 1.00 0.00 H new ATOM 0 HA LEU A 25 5.050 2.219 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.583 3.386 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.769 3.219 0.357 1.00 0.00 H new ATOM 0 HG LEU A 25 4.471 0.807 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.752 -0.325 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.042 0.375 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.464 1.190 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.105 0.726 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.813 2.292 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.933 2.189 -1.025 1.00 0.00 H new ATOM 393 N GLN A 26 7.542 2.268 1.076 1.00 0.00 N ATOM 394 CA GLN A 26 8.712 1.522 0.608 1.00 0.00 C ATOM 395 C GLN A 26 9.515 1.039 1.805 1.00 0.00 C ATOM 396 O GLN A 26 10.129 -0.019 1.775 1.00 0.00 O ATOM 397 CB GLN A 26 9.595 2.408 -0.279 1.00 0.00 C ATOM 398 CG GLN A 26 8.921 2.889 -1.554 1.00 0.00 C ATOM 399 CD GLN A 26 9.719 3.959 -2.273 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.450 4.722 -1.653 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.542 4.066 -3.556 1.00 0.00 N ATOM 0 H GLN A 26 7.520 3.240 0.767 1.00 0.00 H new ATOM 0 HA GLN A 26 8.373 0.668 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.915 3.276 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.495 1.853 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.773 2.041 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.933 3.280 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.926 3.414 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.019 4.802 -4.077 1.00 0.00 H new ATOM 410 N ARG A 27 9.508 1.832 2.861 1.00 0.00 N ATOM 411 CA ARG A 27 10.187 1.470 4.089 1.00 0.00 C ATOM 412 C ARG A 27 9.410 0.412 4.840 1.00 0.00 C ATOM 413 O ARG A 27 9.982 -0.586 5.285 1.00 0.00 O ATOM 414 CB ARG A 27 10.426 2.691 4.967 1.00 0.00 C ATOM 415 CG ARG A 27 11.325 3.785 4.353 1.00 0.00 C ATOM 416 CD ARG A 27 12.714 3.271 3.931 1.00 0.00 C ATOM 417 NE ARG A 27 12.654 2.324 2.791 1.00 0.00 N ATOM 418 CZ ARG A 27 13.687 1.624 2.302 1.00 0.00 C ATOM 419 NH1 ARG A 27 14.908 1.835 2.755 1.00 0.00 N ATOM 420 NH2 ARG A 27 13.485 0.725 1.339 1.00 0.00 N ATOM 0 H ARG A 27 9.036 2.736 2.891 1.00 0.00 H new ATOM 0 HA ARG A 27 11.159 1.055 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.461 3.134 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.874 2.361 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.824 4.211 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.449 4.591 5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.343 4.119 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.188 2.780 4.781 1.00 0.00 H new ATOM 0 HE ARG A 27 11.748 2.194 2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.069 2.533 3.481 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.691 1.300 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.545 0.570 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.271 0.192 0.966 1.00 0.00 H new ATOM 434 N TYR A 28 8.114 0.636 4.969 1.00 0.00 N ATOM 435 CA TYR A 28 7.188 -0.304 5.616 1.00 0.00 C ATOM 436 C TYR A 28 7.328 -1.694 4.990 1.00 0.00 C ATOM 437 O TYR A 28 7.632 -2.671 5.683 1.00 0.00 O ATOM 438 CB TYR A 28 5.744 0.213 5.455 1.00 0.00 C ATOM 439 CG TYR A 28 4.652 -0.637 6.094 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.274 -0.434 7.414 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.979 -1.619 5.367 1.00 0.00 C ATOM 442 CE1 TYR A 28 3.272 -1.177 7.996 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.968 -2.363 5.946 1.00 0.00 C ATOM 444 CZ TYR A 28 2.623 -2.134 7.261 1.00 0.00 C ATOM 445 OH TYR A 28 1.622 -2.867 7.836 1.00 0.00 O ATOM 0 H TYR A 28 7.660 1.483 4.627 1.00 0.00 H new ATOM 0 HA TYR A 28 7.427 -0.378 6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.690 1.216 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.529 0.304 4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.777 0.323 7.997 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.251 -1.800 4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.999 -1.006 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.452 -3.118 5.372 1.00 0.00 H new ATOM 0 HH TYR A 28 1.264 -3.502 7.181 1.00 0.00 H new ATOM 455 N ALA A 29 7.176 -1.746 3.677 1.00 0.00 N ATOM 456 CA ALA A 29 7.247 -2.981 2.915 1.00 0.00 C ATOM 457 C ALA A 29 8.595 -3.664 3.080 1.00 0.00 C ATOM 458 O ALA A 29 8.659 -4.868 3.331 1.00 0.00 O ATOM 459 CB ALA A 29 6.979 -2.702 1.449 1.00 0.00 C ATOM 0 H ALA A 29 6.998 -0.921 3.104 1.00 0.00 H new ATOM 0 HA ALA A 29 6.483 -3.656 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.034 -3.633 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.985 -2.268 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.725 -2.003 1.069 1.00 0.00 H new ATOM 465 N ALA A 30 9.669 -2.882 2.994 1.00 0.00 N ATOM 466 CA ALA A 30 11.017 -3.423 3.099 1.00 0.00 C ATOM 467 C ALA A 30 11.262 -4.025 4.472 1.00 0.00 C ATOM 468 O ALA A 30 11.903 -5.063 4.595 1.00 0.00 O ATOM 469 CB ALA A 30 12.055 -2.354 2.801 1.00 0.00 C ATOM 0 H ALA A 30 9.629 -1.873 2.852 1.00 0.00 H new ATOM 0 HA ALA A 30 11.112 -4.216 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.054 -2.783 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.907 -1.975 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.950 -1.536 3.514 1.00 0.00 H new ATOM 475 N THR A 31 10.717 -3.395 5.489 1.00 0.00 N ATOM 476 CA THR A 31 10.906 -3.848 6.845 1.00 0.00 C ATOM 477 C THR A 31 10.120 -5.139 7.100 1.00 0.00 C ATOM 478 O THR A 31 10.645 -6.083 7.690 1.00 0.00 O ATOM 479 CB THR A 31 10.506 -2.744 7.834 1.00 0.00 C ATOM 480 OG1 THR A 31 11.196 -1.533 7.455 1.00 0.00 O ATOM 481 CG2 THR A 31 10.901 -3.114 9.259 1.00 0.00 C ATOM 0 H THR A 31 10.136 -2.562 5.399 1.00 0.00 H new ATOM 0 HA THR A 31 11.962 -4.071 6.996 1.00 0.00 H new ATOM 0 HB THR A 31 9.425 -2.610 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.641 -1.023 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.606 -2.314 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.400 -4.038 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.981 -3.255 9.312 1.00 0.00 H new ATOM 489 N ILE A 32 8.890 -5.194 6.598 1.00 0.00 N ATOM 490 CA ILE A 32 8.064 -6.382 6.752 1.00 0.00 C ATOM 491 C ILE A 32 8.701 -7.553 6.007 1.00 0.00 C ATOM 492 O ILE A 32 8.897 -8.628 6.572 1.00 0.00 O ATOM 493 CB ILE A 32 6.601 -6.153 6.247 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.916 -5.009 7.031 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.767 -7.438 6.333 1.00 0.00 C ATOM 496 CD1 ILE A 32 5.847 -5.222 8.535 1.00 0.00 C ATOM 0 H ILE A 32 8.447 -4.433 6.084 1.00 0.00 H new ATOM 0 HA ILE A 32 8.006 -6.610 7.816 1.00 0.00 H new ATOM 0 HB ILE A 32 6.662 -5.864 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.451 -4.080 6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.903 -4.881 6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.757 -7.241 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.226 -8.212 5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.725 -7.776 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.351 -4.370 9.001 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.284 -6.131 8.748 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.856 -5.318 8.936 1.00 0.00 H new ATOM 508 N GLN A 33 9.089 -7.314 4.769 1.00 0.00 N ATOM 509 CA GLN A 33 9.692 -8.348 3.952 1.00 0.00 C ATOM 510 C GLN A 33 10.999 -8.874 4.511 1.00 0.00 C ATOM 511 O GLN A 33 11.180 -10.090 4.609 1.00 0.00 O ATOM 512 CB GLN A 33 9.842 -7.916 2.501 1.00 0.00 C ATOM 513 CG GLN A 33 8.531 -7.889 1.752 1.00 0.00 C ATOM 514 CD GLN A 33 7.788 -9.210 1.875 1.00 0.00 C ATOM 515 OE1 GLN A 33 6.965 -9.400 2.761 1.00 0.00 O ATOM 516 NE2 GLN A 33 8.120 -10.150 1.055 1.00 0.00 N ATOM 0 H GLN A 33 8.997 -6.410 4.306 1.00 0.00 H new ATOM 0 HA GLN A 33 8.992 -9.183 3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.293 -6.924 2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.529 -8.595 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.907 -7.083 2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.717 -7.672 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.808 -9.970 0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.694 -11.073 1.138 1.00 0.00 H new ATOM 525 N SER A 34 11.878 -7.988 4.932 1.00 0.00 N ATOM 526 CA SER A 34 13.160 -8.415 5.451 1.00 0.00 C ATOM 527 C SER A 34 13.017 -9.221 6.747 1.00 0.00 C ATOM 528 O SER A 34 13.765 -10.176 6.979 1.00 0.00 O ATOM 529 CB SER A 34 14.114 -7.227 5.618 1.00 0.00 C ATOM 530 OG SER A 34 13.517 -6.191 6.381 1.00 0.00 O ATOM 0 H SER A 34 11.731 -6.979 4.925 1.00 0.00 H new ATOM 0 HA SER A 34 13.601 -9.087 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.030 -7.559 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.396 -6.843 4.637 1.00 0.00 H new ATOM 0 HG SER A 34 13.054 -5.569 5.782 1.00 0.00 H new ATOM 536 N GLN A 35 12.035 -8.883 7.570 1.00 0.00 N ATOM 537 CA GLN A 35 11.860 -9.602 8.812 1.00 0.00 C ATOM 538 C GLN A 35 11.108 -10.919 8.601 1.00 0.00 C ATOM 539 O GLN A 35 11.222 -11.832 9.416 1.00 0.00 O ATOM 540 CB GLN A 35 11.203 -8.740 9.899 1.00 0.00 C ATOM 541 CG GLN A 35 9.731 -8.414 9.688 1.00 0.00 C ATOM 542 CD GLN A 35 9.183 -7.468 10.745 1.00 0.00 C ATOM 543 OE1 GLN A 35 8.008 -7.543 11.115 1.00 0.00 O ATOM 544 NE2 GLN A 35 10.006 -6.555 11.216 1.00 0.00 N ATOM 0 H GLN A 35 11.364 -8.133 7.402 1.00 0.00 H new ATOM 0 HA GLN A 35 12.858 -9.851 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.309 -9.252 10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.755 -7.804 9.976 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.600 -7.967 8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.153 -9.338 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.971 -6.521 10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.678 -5.882 11.908 1.00 0.00 H new ATOM 553 N ARG A 36 10.343 -11.027 7.512 1.00 0.00 N ATOM 554 CA ARG A 36 9.639 -12.278 7.225 1.00 0.00 C ATOM 555 C ARG A 36 10.558 -13.243 6.484 1.00 0.00 C ATOM 556 O ARG A 36 10.433 -14.464 6.612 1.00 0.00 O ATOM 557 CB ARG A 36 8.376 -12.043 6.369 1.00 0.00 C ATOM 558 CG ARG A 36 7.274 -11.207 7.016 1.00 0.00 C ATOM 559 CD ARG A 36 6.784 -11.805 8.324 1.00 0.00 C ATOM 560 NE ARG A 36 5.642 -11.062 8.866 1.00 0.00 N ATOM 561 CZ ARG A 36 5.384 -10.880 10.168 1.00 0.00 C ATOM 562 NH1 ARG A 36 6.209 -11.369 11.096 1.00 0.00 N ATOM 563 NH2 ARG A 36 4.294 -10.212 10.544 1.00 0.00 N ATOM 0 H ARG A 36 10.197 -10.283 6.830 1.00 0.00 H new ATOM 0 HA ARG A 36 9.338 -12.702 8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.676 -11.557 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.958 -13.013 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.646 -10.199 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.436 -11.118 6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.499 -12.845 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.596 -11.805 9.051 1.00 0.00 H new ATOM 0 HE ARG A 36 4.991 -10.650 8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.043 -11.885 10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.006 -11.226 12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.656 -9.839 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.097 -10.073 11.535 1.00 0.00 H new ATOM 577 N GLY A 37 11.501 -12.692 5.754 1.00 0.00 N ATOM 578 CA GLY A 37 12.427 -13.492 4.983 1.00 0.00 C ATOM 579 C GLY A 37 12.397 -13.069 3.541 1.00 0.00 C ATOM 580 O GLY A 37 13.440 -12.850 2.930 1.00 0.00 O ATOM 0 H GLY A 37 11.648 -11.686 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.435 -13.381 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.165 -14.547 5.066 1.00 0.00 H new ATOM 584 N ASP A 38 11.181 -12.951 3.023 1.00 0.00 N ATOM 585 CA ASP A 38 10.869 -12.461 1.668 1.00 0.00 C ATOM 586 C ASP A 38 11.043 -13.478 0.574 1.00 0.00 C ATOM 587 O ASP A 38 12.100 -14.097 0.423 1.00 0.00 O ATOM 588 CB ASP A 38 11.573 -11.145 1.295 1.00 0.00 C ATOM 589 CG ASP A 38 11.326 -10.729 -0.157 1.00 0.00 C ATOM 590 OD1 ASP A 38 10.151 -10.566 -0.571 1.00 0.00 O ATOM 591 OD2 ASP A 38 12.302 -10.523 -0.899 1.00 0.00 O ATOM 0 H ASP A 38 10.344 -13.202 3.550 1.00 0.00 H new ATOM 0 HA ASP A 38 9.801 -12.253 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.227 -10.353 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.645 -11.253 1.460 1.00 0.00 H new ATOM 596 N TYR A 39 9.969 -13.667 -0.152 1.00 0.00 N ATOM 597 CA TYR A 39 9.944 -14.458 -1.348 1.00 0.00 C ATOM 598 C TYR A 39 8.904 -13.806 -2.262 1.00 0.00 C ATOM 599 O TYR A 39 8.350 -14.409 -3.188 1.00 0.00 O ATOM 600 CB TYR A 39 9.583 -15.919 -1.026 1.00 0.00 C ATOM 601 CG TYR A 39 9.799 -16.871 -2.187 1.00 0.00 C ATOM 602 CD1 TYR A 39 11.072 -17.089 -2.683 1.00 0.00 C ATOM 603 CD2 TYR A 39 8.737 -17.533 -2.793 1.00 0.00 C ATOM 604 CE1 TYR A 39 11.288 -17.942 -3.744 1.00 0.00 C ATOM 605 CE2 TYR A 39 8.949 -18.389 -3.857 1.00 0.00 C ATOM 606 CZ TYR A 39 10.225 -18.588 -4.328 1.00 0.00 C ATOM 607 OH TYR A 39 10.440 -19.449 -5.389 1.00 0.00 O ATOM 0 H TYR A 39 9.064 -13.261 0.084 1.00 0.00 H new ATOM 0 HA TYR A 39 10.920 -14.489 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.181 -16.253 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.538 -15.966 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.911 -16.582 -2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.733 -17.376 -2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.290 -18.102 -4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.116 -18.900 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 39 9.584 -19.824 -5.685 1.00 0.00 H new ATOM 617 N ASN A 40 8.681 -12.536 -2.010 1.00 0.00 N ATOM 618 CA ASN A 40 7.678 -11.785 -2.720 1.00 0.00 C ATOM 619 C ASN A 40 8.323 -10.887 -3.726 1.00 0.00 C ATOM 620 O ASN A 40 7.960 -10.914 -4.898 1.00 0.00 O ATOM 621 CB ASN A 40 6.819 -10.972 -1.759 1.00 0.00 C ATOM 622 CG ASN A 40 5.935 -11.824 -0.873 1.00 0.00 C ATOM 623 OD1 ASN A 40 6.352 -12.252 0.212 1.00 0.00 O ATOM 624 ND2 ASN A 40 4.709 -12.036 -1.290 1.00 0.00 N ATOM 0 H ASN A 40 9.190 -11.998 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 40 7.029 -12.490 -3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.468 -10.361 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.194 -10.288 -2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.060 -12.571 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.405 -11.666 -2.191 1.00 0.00 H new ATOM 631 N GLY A 41 9.290 -10.093 -3.257 1.00 0.00 N ATOM 632 CA GLY A 41 10.067 -9.190 -4.108 1.00 0.00 C ATOM 633 C GLY A 41 9.262 -8.091 -4.808 1.00 0.00 C ATOM 634 O GLY A 41 9.356 -6.919 -4.457 1.00 0.00 O ATOM 0 H GLY A 41 9.556 -10.059 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.839 -8.719 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.577 -9.783 -4.867 1.00 0.00 H new ATOM 638 N LYS A 42 8.488 -8.482 -5.786 1.00 0.00 N ATOM 639 CA LYS A 42 7.737 -7.566 -6.622 1.00 0.00 C ATOM 640 C LYS A 42 6.424 -7.157 -5.966 1.00 0.00 C ATOM 641 O LYS A 42 6.018 -6.011 -6.053 1.00 0.00 O ATOM 642 CB LYS A 42 7.436 -8.226 -7.979 1.00 0.00 C ATOM 643 CG LYS A 42 6.726 -7.317 -8.987 1.00 0.00 C ATOM 644 CD LYS A 42 6.268 -8.080 -10.232 1.00 0.00 C ATOM 645 CE LYS A 42 5.173 -9.093 -9.899 1.00 0.00 C ATOM 646 NZ LYS A 42 4.689 -9.817 -11.088 1.00 0.00 N ATOM 0 H LYS A 42 8.355 -9.463 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 42 8.345 -6.673 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.373 -8.570 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.820 -9.109 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.863 -6.853 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.398 -6.512 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.898 -7.375 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.119 -8.596 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.555 -9.810 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.337 -8.577 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.948 -10.491 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.298 -9.138 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.479 -10.334 -11.525 1.00 0.00 H new ATOM 660 N VAL A 43 5.763 -8.086 -5.315 1.00 0.00 N ATOM 661 CA VAL A 43 4.434 -7.817 -4.776 1.00 0.00 C ATOM 662 C VAL A 43 4.294 -8.224 -3.320 1.00 0.00 C ATOM 663 O VAL A 43 4.653 -9.325 -2.937 1.00 0.00 O ATOM 664 CB VAL A 43 3.308 -8.493 -5.623 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.180 -7.827 -6.981 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.566 -9.991 -5.802 1.00 0.00 C ATOM 0 H VAL A 43 6.113 -9.029 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 43 4.314 -6.735 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 43 2.373 -8.368 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.390 -8.315 -7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.934 -6.773 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.124 -7.914 -7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.764 -10.430 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.518 -10.138 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.600 -10.474 -4.825 1.00 0.00 H new ATOM 676 N LEU A 44 3.768 -7.333 -2.525 1.00 0.00 N ATOM 677 CA LEU A 44 3.528 -7.587 -1.120 1.00 0.00 C ATOM 678 C LEU A 44 2.040 -7.735 -0.905 1.00 0.00 C ATOM 679 O LEU A 44 1.263 -6.934 -1.408 1.00 0.00 O ATOM 680 CB LEU A 44 4.070 -6.433 -0.263 1.00 0.00 C ATOM 681 CG LEU A 44 3.767 -6.497 1.247 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.357 -7.742 1.880 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.273 -5.251 1.949 1.00 0.00 C ATOM 0 H LEU A 44 3.490 -6.401 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 44 4.042 -8.501 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.151 -6.391 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.665 -5.499 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 44 2.684 -6.546 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.124 -7.754 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.933 -8.627 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.439 -7.741 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.049 -5.317 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.351 -5.167 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.783 -4.372 1.529 1.00 0.00 H new ATOM 695 N SER A 45 1.640 -8.743 -0.195 1.00 0.00 N ATOM 696 CA SER A 45 0.256 -8.948 0.045 1.00 0.00 C ATOM 697 C SER A 45 -0.050 -8.693 1.514 1.00 0.00 C ATOM 698 O SER A 45 0.571 -9.291 2.404 1.00 0.00 O ATOM 699 CB SER A 45 -0.148 -10.366 -0.376 1.00 0.00 C ATOM 700 OG SER A 45 -1.547 -10.542 -0.308 1.00 0.00 O ATOM 0 H SER A 45 2.258 -9.436 0.227 1.00 0.00 H new ATOM 0 HA SER A 45 -0.328 -8.247 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.196 -10.558 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.344 -11.093 0.270 1.00 0.00 H new ATOM 0 HG SER A 45 -1.776 -11.454 -0.583 1.00 0.00 H new ATOM 706 N ILE A 46 -0.959 -7.777 1.767 1.00 0.00 N ATOM 707 CA ILE A 46 -1.374 -7.472 3.116 1.00 0.00 C ATOM 708 C ILE A 46 -2.872 -7.735 3.262 1.00 0.00 C ATOM 709 O ILE A 46 -3.551 -8.133 2.294 1.00 0.00 O ATOM 710 CB ILE A 46 -1.056 -6.001 3.542 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.866 -4.988 2.718 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.442 -5.714 3.425 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.685 -3.549 3.166 1.00 0.00 C ATOM 0 H ILE A 46 -1.428 -7.227 1.048 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.802 -8.123 3.777 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.349 -5.891 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.576 -5.072 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.923 -5.247 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.640 -4.685 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.995 -6.395 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.760 -5.857 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.288 -2.894 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.002 -3.448 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.635 -3.270 3.079 1.00 0.00 H new ATOM 725 N ARG A 47 -3.387 -7.513 4.443 1.00 0.00 N ATOM 726 CA ARG A 47 -4.789 -7.736 4.718 1.00 0.00 C ATOM 727 C ARG A 47 -5.565 -6.445 4.536 1.00 0.00 C ATOM 728 O ARG A 47 -4.976 -5.369 4.487 1.00 0.00 O ATOM 729 CB ARG A 47 -4.964 -8.233 6.135 1.00 0.00 C ATOM 730 CG ARG A 47 -4.198 -9.493 6.425 1.00 0.00 C ATOM 731 CD ARG A 47 -4.451 -9.951 7.824 1.00 0.00 C ATOM 732 NE ARG A 47 -3.723 -11.172 8.122 1.00 0.00 N ATOM 733 CZ ARG A 47 -4.096 -12.098 8.997 1.00 0.00 C ATOM 734 NH1 ARG A 47 -5.135 -11.891 9.800 1.00 0.00 N ATOM 735 NH2 ARG A 47 -3.404 -13.222 9.092 1.00 0.00 N ATOM 0 H ARG A 47 -2.851 -7.173 5.242 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.168 -8.485 4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.644 -7.454 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.023 -8.409 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.491 -10.273 5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.132 -9.318 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.155 -9.169 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.519 -10.118 7.966 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.852 -11.331 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.654 -11.014 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.414 -12.609 10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.590 -13.372 8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.684 -13.938 9.762 1.00 0.00 H new ATOM 749 N GLN A 48 -6.876 -6.551 4.487 1.00 0.00 N ATOM 750 CA GLN A 48 -7.753 -5.393 4.307 1.00 0.00 C ATOM 751 C GLN A 48 -7.703 -4.547 5.564 1.00 0.00 C ATOM 752 O GLN A 48 -7.635 -3.325 5.522 1.00 0.00 O ATOM 753 CB GLN A 48 -9.183 -5.865 4.076 1.00 0.00 C ATOM 754 CG GLN A 48 -9.357 -6.783 2.879 1.00 0.00 C ATOM 755 CD GLN A 48 -10.706 -7.464 2.883 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.683 -6.930 3.396 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.775 -8.636 2.305 1.00 0.00 N ATOM 0 H GLN A 48 -7.372 -7.438 4.570 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.424 -4.810 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.530 -6.384 4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.824 -4.993 3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.244 -6.207 1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.570 -7.537 2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.941 -9.049 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.663 -9.136 2.271 1.00 0.00 H new ATOM 766 N ASP A 49 -7.702 -5.230 6.679 1.00 0.00 N ATOM 767 CA ASP A 49 -7.643 -4.609 8.000 1.00 0.00 C ATOM 768 C ASP A 49 -6.240 -4.098 8.274 1.00 0.00 C ATOM 769 O ASP A 49 -6.053 -3.082 8.930 1.00 0.00 O ATOM 770 CB ASP A 49 -8.051 -5.629 9.083 1.00 0.00 C ATOM 771 CG ASP A 49 -9.492 -6.113 8.976 1.00 0.00 C ATOM 772 OD1 ASP A 49 -9.809 -6.929 8.073 1.00 0.00 O ATOM 773 OD2 ASP A 49 -10.345 -5.686 9.798 1.00 0.00 O ATOM 0 H ASP A 49 -7.742 -6.249 6.708 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.337 -3.769 8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.385 -6.490 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.903 -5.178 10.064 1.00 0.00 H new ATOM 778 N ASP A 50 -5.267 -4.770 7.698 1.00 0.00 N ATOM 779 CA ASP A 50 -3.845 -4.435 7.885 1.00 0.00 C ATOM 780 C ASP A 50 -3.506 -3.152 7.138 1.00 0.00 C ATOM 781 O ASP A 50 -2.579 -2.432 7.503 1.00 0.00 O ATOM 782 CB ASP A 50 -2.974 -5.611 7.417 1.00 0.00 C ATOM 783 CG ASP A 50 -1.502 -5.461 7.701 1.00 0.00 C ATOM 784 OD1 ASP A 50 -1.133 -5.241 8.874 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.696 -5.625 6.778 1.00 0.00 O ATOM 0 H ASP A 50 -5.425 -5.568 7.083 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.643 -4.263 8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.331 -6.522 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.111 -5.741 6.344 1.00 0.00 H new ATOM 790 N LEU A 51 -4.319 -2.846 6.128 1.00 0.00 N ATOM 791 CA LEU A 51 -4.189 -1.625 5.332 1.00 0.00 C ATOM 792 C LEU A 51 -4.449 -0.394 6.200 1.00 0.00 C ATOM 793 O LEU A 51 -3.874 0.677 5.971 1.00 0.00 O ATOM 794 CB LEU A 51 -5.200 -1.639 4.174 1.00 0.00 C ATOM 795 CG LEU A 51 -5.151 -0.447 3.204 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.892 -0.481 2.355 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.398 -0.393 2.332 1.00 0.00 C ATOM 0 H LEU A 51 -5.093 -3.443 5.836 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.175 -1.583 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.047 -2.553 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.203 -1.693 4.598 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.125 0.464 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.886 0.374 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.016 -0.439 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.870 -1.403 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.333 0.460 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.475 -1.311 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.280 -0.290 2.964 1.00 0.00 H new ATOM 809 N ARG A 52 -5.280 -0.559 7.235 1.00 0.00 N ATOM 810 CA ARG A 52 -5.644 0.553 8.102 1.00 0.00 C ATOM 811 C ARG A 52 -4.445 1.072 8.888 1.00 0.00 C ATOM 812 O ARG A 52 -4.433 2.225 9.327 1.00 0.00 O ATOM 813 CB ARG A 52 -6.783 0.200 9.046 1.00 0.00 C ATOM 814 CG ARG A 52 -8.084 -0.135 8.344 1.00 0.00 C ATOM 815 CD ARG A 52 -9.205 -0.357 9.340 1.00 0.00 C ATOM 816 NE ARG A 52 -8.824 -1.331 10.358 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.356 -2.544 10.515 1.00 0.00 C ATOM 818 NH1 ARG A 52 -10.377 -2.947 9.750 1.00 0.00 N ATOM 819 NH2 ARG A 52 -8.873 -3.351 11.455 1.00 0.00 N ATOM 0 H ARG A 52 -5.708 -1.450 7.487 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.993 1.349 7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.483 -0.650 9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.953 1.037 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.353 0.674 7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.952 -1.030 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.463 0.589 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.096 -0.704 8.817 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.085 -1.060 11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.757 -2.324 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.775 -3.877 9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.103 -3.040 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.272 -4.281 11.584 1.00 0.00 H new ATOM 833 N THR A 53 -3.437 0.225 9.034 1.00 0.00 N ATOM 834 CA THR A 53 -2.213 0.572 9.711 1.00 0.00 C ATOM 835 C THR A 53 -1.510 1.697 8.935 1.00 0.00 C ATOM 836 O THR A 53 -1.047 2.687 9.510 1.00 0.00 O ATOM 837 CB THR A 53 -1.288 -0.661 9.751 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.039 -1.808 10.182 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.107 -0.434 10.688 1.00 0.00 C ATOM 0 H THR A 53 -3.454 -0.731 8.679 1.00 0.00 H new ATOM 0 HA THR A 53 -2.435 0.902 10.726 1.00 0.00 H new ATOM 0 HB THR A 53 -0.896 -0.831 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.380 -2.289 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.527 -1.320 10.695 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.471 0.423 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.474 -0.242 11.696 1.00 0.00 H new ATOM 847 N LEU A 54 -1.512 1.561 7.615 1.00 0.00 N ATOM 848 CA LEU A 54 -0.857 2.506 6.728 1.00 0.00 C ATOM 849 C LEU A 54 -1.551 3.854 6.760 1.00 0.00 C ATOM 850 O LEU A 54 -0.903 4.899 6.664 1.00 0.00 O ATOM 851 CB LEU A 54 -0.810 1.947 5.307 1.00 0.00 C ATOM 852 CG LEU A 54 0.018 0.674 5.129 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.110 0.142 3.719 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.466 0.955 5.442 1.00 0.00 C ATOM 0 H LEU A 54 -1.970 0.789 7.131 1.00 0.00 H new ATOM 0 HA LEU A 54 0.165 2.655 7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.830 1.745 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.410 2.716 4.646 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.360 -0.081 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.488 -0.764 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.155 -0.087 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.245 0.893 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.050 0.044 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.841 1.725 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.555 1.300 6.472 1.00 0.00 H new ATOM 866 N ALA A 55 -2.861 3.829 6.947 1.00 0.00 N ATOM 867 CA ALA A 55 -3.652 5.050 7.030 1.00 0.00 C ATOM 868 C ALA A 55 -3.222 5.887 8.234 1.00 0.00 C ATOM 869 O ALA A 55 -3.204 7.115 8.172 1.00 0.00 O ATOM 870 CB ALA A 55 -5.136 4.717 7.107 1.00 0.00 C ATOM 0 H ALA A 55 -3.404 2.971 7.045 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.479 5.637 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.713 5.640 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.431 4.163 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.327 4.110 7.992 1.00 0.00 H new ATOM 876 N VAL A 56 -2.810 5.204 9.295 1.00 0.00 N ATOM 877 CA VAL A 56 -2.362 5.856 10.514 1.00 0.00 C ATOM 878 C VAL A 56 -0.988 6.476 10.274 1.00 0.00 C ATOM 879 O VAL A 56 -0.733 7.622 10.640 1.00 0.00 O ATOM 880 CB VAL A 56 -2.269 4.839 11.697 1.00 0.00 C ATOM 881 CG1 VAL A 56 -1.790 5.513 12.978 1.00 0.00 C ATOM 882 CG2 VAL A 56 -3.610 4.164 11.935 1.00 0.00 C ATOM 0 H VAL A 56 -2.778 4.185 9.332 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.086 6.626 10.780 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.537 4.082 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.737 4.776 13.779 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.802 5.943 12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.488 6.302 13.257 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.521 3.460 12.763 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.359 4.918 12.178 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.913 3.629 11.035 1.00 0.00 H new ATOM 892 N ILE A 57 -0.135 5.723 9.594 1.00 0.00 N ATOM 893 CA ILE A 57 1.239 6.133 9.322 1.00 0.00 C ATOM 894 C ILE A 57 1.293 7.415 8.499 1.00 0.00 C ATOM 895 O ILE A 57 2.043 8.340 8.817 1.00 0.00 O ATOM 896 CB ILE A 57 2.034 5.026 8.576 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.987 3.719 9.372 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.483 5.465 8.341 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.778 2.586 8.757 1.00 0.00 C ATOM 0 H ILE A 57 -0.375 4.808 9.214 1.00 0.00 H new ATOM 0 HA ILE A 57 1.699 6.311 10.294 1.00 0.00 H new ATOM 0 HB ILE A 57 1.571 4.859 7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.364 3.906 10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.948 3.407 9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.022 4.675 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.495 6.373 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.964 5.659 9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.691 1.699 9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.388 2.367 7.763 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.826 2.874 8.680 1.00 0.00 H new ATOM 911 N TYR A 58 0.492 7.481 7.458 1.00 0.00 N ATOM 912 CA TYR A 58 0.543 8.636 6.566 1.00 0.00 C ATOM 913 C TYR A 58 -0.402 9.706 7.045 1.00 0.00 C ATOM 914 O TYR A 58 -0.340 10.849 6.580 1.00 0.00 O ATOM 915 CB TYR A 58 0.196 8.252 5.126 1.00 0.00 C ATOM 916 CG TYR A 58 0.817 6.959 4.666 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.116 6.608 5.006 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.074 6.063 3.939 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.639 5.401 4.622 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.592 4.857 3.559 1.00 0.00 C ATOM 921 CZ TYR A 58 1.870 4.533 3.904 1.00 0.00 C ATOM 922 OH TYR A 58 2.377 3.337 3.531 1.00 0.00 O ATOM 0 H TYR A 58 -0.192 6.768 7.205 1.00 0.00 H new ATOM 0 HA TYR A 58 1.564 9.017 6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.887 8.175 5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.517 9.053 4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.722 7.294 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.939 6.316 3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.653 5.139 4.886 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.008 4.164 2.988 1.00 0.00 H new ATOM 0 HH TYR A 58 3.115 3.094 4.128 1.00 0.00 H new ATOM 932 N ASP A 59 -1.256 9.329 7.998 1.00 0.00 N ATOM 933 CA ASP A 59 -2.262 10.207 8.570 1.00 0.00 C ATOM 934 C ASP A 59 -3.281 10.594 7.495 1.00 0.00 C ATOM 935 O ASP A 59 -3.456 11.760 7.122 1.00 0.00 O ATOM 936 CB ASP A 59 -1.607 11.414 9.285 1.00 0.00 C ATOM 937 CG ASP A 59 -2.579 12.403 9.865 1.00 0.00 C ATOM 938 OD1 ASP A 59 -3.397 12.028 10.727 1.00 0.00 O ATOM 939 OD2 ASP A 59 -2.530 13.593 9.468 1.00 0.00 O ATOM 0 H ASP A 59 -1.263 8.390 8.396 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.815 9.681 9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.967 11.042 10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.961 11.932 8.576 1.00 0.00 H new ATOM 944 N GLN A 60 -3.900 9.572 6.959 1.00 0.00 N ATOM 945 CA GLN A 60 -4.882 9.694 5.902 1.00 0.00 C ATOM 946 C GLN A 60 -6.114 8.920 6.302 1.00 0.00 C ATOM 947 O GLN A 60 -6.024 7.981 7.087 1.00 0.00 O ATOM 948 CB GLN A 60 -4.343 9.100 4.588 1.00 0.00 C ATOM 949 CG GLN A 60 -3.073 9.751 4.056 1.00 0.00 C ATOM 950 CD GLN A 60 -3.233 11.215 3.663 1.00 0.00 C ATOM 951 OE1 GLN A 60 -2.289 11.994 3.763 1.00 0.00 O ATOM 952 NE2 GLN A 60 -4.386 11.591 3.167 1.00 0.00 N ATOM 0 H GLN A 60 -3.734 8.609 7.250 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.109 10.749 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.152 8.038 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.119 9.179 3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.294 9.674 4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.728 9.190 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.153 10.922 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.517 12.552 2.852 1.00 0.00 H new ATOM 961 N SER A 61 -7.243 9.306 5.785 1.00 0.00 N ATOM 962 CA SER A 61 -8.469 8.606 6.034 1.00 0.00 C ATOM 963 C SER A 61 -8.456 7.315 5.208 1.00 0.00 C ATOM 964 O SER A 61 -8.044 7.355 4.041 1.00 0.00 O ATOM 965 CB SER A 61 -9.622 9.487 5.589 1.00 0.00 C ATOM 966 OG SER A 61 -9.479 10.793 6.120 1.00 0.00 O ATOM 0 H SER A 61 -7.340 10.119 5.176 1.00 0.00 H new ATOM 0 HA SER A 61 -8.578 8.368 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.655 9.532 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.567 9.055 5.919 1.00 0.00 H new ATOM 0 HG SER A 61 -10.228 11.351 5.824 1.00 0.00 H new ATOM 972 N PRO A 62 -8.902 6.166 5.786 1.00 0.00 N ATOM 973 CA PRO A 62 -8.903 4.846 5.104 1.00 0.00 C ATOM 974 C PRO A 62 -9.466 4.897 3.675 1.00 0.00 C ATOM 975 O PRO A 62 -8.891 4.316 2.754 1.00 0.00 O ATOM 976 CB PRO A 62 -9.800 3.997 6.005 1.00 0.00 C ATOM 977 CG PRO A 62 -9.583 4.562 7.363 1.00 0.00 C ATOM 978 CD PRO A 62 -9.424 6.050 7.171 1.00 0.00 C ATOM 0 HA PRO A 62 -7.892 4.457 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.846 4.066 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.525 2.943 5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.426 4.340 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.696 4.131 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.373 6.574 7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.733 6.477 7.898 1.00 0.00 H new ATOM 986 N SER A 63 -10.561 5.622 3.507 1.00 0.00 N ATOM 987 CA SER A 63 -11.222 5.797 2.225 1.00 0.00 C ATOM 988 C SER A 63 -10.248 6.394 1.176 1.00 0.00 C ATOM 989 O SER A 63 -10.005 5.799 0.117 1.00 0.00 O ATOM 990 CB SER A 63 -12.402 6.733 2.444 1.00 0.00 C ATOM 991 OG SER A 63 -13.132 6.340 3.607 1.00 0.00 O ATOM 0 H SER A 63 -11.023 6.114 4.272 1.00 0.00 H new ATOM 0 HA SER A 63 -11.559 4.834 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.047 7.757 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.056 6.716 1.572 1.00 0.00 H new ATOM 0 HG SER A 63 -13.888 6.949 3.740 1.00 0.00 H new ATOM 997 N VAL A 64 -9.639 7.527 1.527 1.00 0.00 N ATOM 998 CA VAL A 64 -8.721 8.230 0.637 1.00 0.00 C ATOM 999 C VAL A 64 -7.460 7.396 0.443 1.00 0.00 C ATOM 1000 O VAL A 64 -6.926 7.307 -0.654 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.340 9.635 1.206 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.417 10.394 0.252 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.588 10.459 1.501 1.00 0.00 C ATOM 0 H VAL A 64 -9.769 7.980 2.432 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.221 8.377 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.801 9.473 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.172 11.366 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.501 9.823 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.919 10.534 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.296 11.432 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.159 10.596 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.202 9.939 2.236 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.031 6.756 1.521 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.849 5.911 1.529 1.00 0.00 C ATOM 1015 C LEU A 65 -6.010 4.759 0.529 1.00 0.00 C ATOM 1016 O LEU A 65 -5.101 4.487 -0.250 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.578 5.415 2.984 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.277 4.619 3.281 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.342 3.182 2.791 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.076 5.325 2.685 1.00 0.00 C ATOM 0 H LEU A 65 -7.501 6.811 2.425 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.977 6.481 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.585 6.289 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.420 4.790 3.280 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.172 4.580 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.406 2.675 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.167 2.667 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.499 3.172 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.173 4.754 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.202 5.408 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.988 6.321 3.118 1.00 0.00 H new ATOM 1032 N THR A 66 -7.175 4.126 0.530 1.00 0.00 N ATOM 1033 CA THR A 66 -7.446 3.024 -0.382 1.00 0.00 C ATOM 1034 C THR A 66 -7.368 3.525 -1.843 1.00 0.00 C ATOM 1035 O THR A 66 -6.716 2.906 -2.700 1.00 0.00 O ATOM 1036 CB THR A 66 -8.843 2.397 -0.101 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.946 2.027 1.295 1.00 0.00 O ATOM 1038 CG2 THR A 66 -9.059 1.151 -0.952 1.00 0.00 C ATOM 0 H THR A 66 -7.949 4.357 1.153 1.00 0.00 H new ATOM 0 HA THR A 66 -6.693 2.251 -0.225 1.00 0.00 H new ATOM 0 HB THR A 66 -9.601 3.139 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.959 2.836 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.042 0.730 -0.738 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.000 1.416 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.290 0.414 -0.719 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.956 4.692 -2.083 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.968 5.302 -3.401 1.00 0.00 C ATOM 1048 C GLU A 67 -6.576 5.678 -3.881 1.00 0.00 C ATOM 1049 O GLU A 67 -6.314 5.626 -5.078 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.896 6.509 -3.443 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.362 6.148 -3.562 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.678 5.520 -4.905 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.833 6.269 -5.898 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -10.754 4.287 -5.004 1.00 0.00 O ATOM 0 H GLU A 67 -8.436 5.239 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.351 4.547 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.749 7.100 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.617 7.141 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.632 5.456 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.969 7.043 -3.427 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.693 6.036 -2.951 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.319 6.390 -3.264 1.00 0.00 C ATOM 1063 C GLN A 68 -3.608 5.250 -3.970 1.00 0.00 C ATOM 1064 O GLN A 68 -3.125 5.411 -5.087 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.547 6.763 -1.998 1.00 0.00 C ATOM 1066 CG GLN A 68 -3.949 8.068 -1.316 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.780 9.316 -2.184 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -3.918 9.287 -3.412 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -3.453 10.406 -1.564 1.00 0.00 N ATOM 0 H GLN A 68 -5.916 6.087 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.351 7.253 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.660 5.953 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.488 6.821 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.991 7.995 -1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.355 8.188 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.345 10.403 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.303 11.267 -2.090 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.598 4.084 -3.335 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.930 2.900 -3.880 1.00 0.00 C ATOM 1080 C LEU A 69 -3.496 2.524 -5.247 1.00 0.00 C ATOM 1081 O LEU A 69 -2.755 2.125 -6.158 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.020 1.701 -2.911 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.109 1.703 -1.657 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.646 1.736 -2.045 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.431 2.837 -0.697 1.00 0.00 C ATOM 0 H LEU A 69 -4.049 3.929 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.877 3.155 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.053 1.624 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.802 0.797 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.312 0.771 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.031 1.737 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.409 0.858 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.443 2.637 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.762 2.788 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.300 3.792 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.463 2.745 -0.358 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.791 2.681 -5.384 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.486 2.416 -6.631 1.00 0.00 C ATOM 1099 C ILE A 70 -5.087 3.449 -7.702 1.00 0.00 C ATOM 1100 O ILE A 70 -4.837 3.101 -8.861 1.00 0.00 O ATOM 1101 CB ILE A 70 -7.021 2.437 -6.406 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.421 1.326 -5.424 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.775 2.291 -7.723 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.878 1.355 -5.019 1.00 0.00 C ATOM 0 H ILE A 70 -5.401 2.998 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.198 1.426 -6.984 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.293 3.402 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.200 0.359 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.804 1.408 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.848 2.309 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.510 3.114 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.506 1.345 -8.193 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.079 0.539 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.102 2.306 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.504 1.241 -5.904 1.00 0.00 H new ATOM 1116 N SER A 71 -5.000 4.695 -7.295 1.00 0.00 N ATOM 1117 CA SER A 71 -4.652 5.791 -8.173 1.00 0.00 C ATOM 1118 C SER A 71 -3.218 5.630 -8.698 1.00 0.00 C ATOM 1119 O SER A 71 -2.959 5.810 -9.898 1.00 0.00 O ATOM 1120 CB SER A 71 -4.825 7.131 -7.420 1.00 0.00 C ATOM 1121 OG SER A 71 -4.569 8.264 -8.244 1.00 0.00 O ATOM 0 H SER A 71 -5.171 4.981 -6.331 1.00 0.00 H new ATOM 0 HA SER A 71 -5.319 5.786 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.840 7.194 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.151 7.151 -6.563 1.00 0.00 H new ATOM 0 HG SER A 71 -4.694 9.084 -7.721 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.299 5.243 -7.818 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.894 5.079 -8.203 1.00 0.00 C ATOM 1129 C TRP A 72 -0.706 3.817 -9.047 1.00 0.00 C ATOM 1130 O TRP A 72 0.324 3.638 -9.701 1.00 0.00 O ATOM 1131 CB TRP A 72 0.020 4.986 -6.978 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.132 6.080 -5.968 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.495 7.382 -6.185 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.111 5.956 -4.567 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.536 8.058 -4.990 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.155 7.201 -3.982 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.518 4.898 -3.748 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.026 7.416 -2.614 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.649 5.117 -2.394 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.376 6.366 -1.838 1.00 0.00 C ATOM 0 H TRP A 72 -2.496 5.037 -6.839 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.622 5.960 -8.785 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.163 4.032 -6.483 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.055 4.974 -7.320 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.716 7.813 -7.150 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.805 9.035 -4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.726 3.926 -4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.237 8.382 -2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.968 4.308 -1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.484 6.506 -0.773 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.698 2.944 -9.023 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.626 1.713 -9.771 1.00 0.00 C ATOM 1153 C GLY A 73 -0.858 0.659 -9.021 1.00 0.00 C ATOM 1154 O GLY A 73 -0.356 -0.291 -9.603 1.00 0.00 O ATOM 0 H GLY A 73 -2.560 3.070 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.633 1.352 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.149 1.898 -10.733 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.759 0.837 -7.725 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.056 -0.099 -6.862 1.00 0.00 C ATOM 1160 C VAL A 74 -1.048 -1.170 -6.403 1.00 0.00 C ATOM 1161 O VAL A 74 -0.674 -2.304 -6.079 1.00 0.00 O ATOM 1162 CB VAL A 74 0.570 0.645 -5.636 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.319 -0.305 -4.719 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.510 1.745 -6.108 1.00 0.00 C ATOM 0 H VAL A 74 -1.162 1.634 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 74 0.762 -0.568 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.252 1.083 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.738 0.252 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.633 -1.064 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.125 -0.786 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.938 2.254 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.311 1.308 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.956 2.462 -6.714 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.311 -0.804 -6.435 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.402 -1.668 -6.083 1.00 0.00 C ATOM 1176 C LEU A 75 -4.487 -1.493 -7.135 1.00 0.00 C ATOM 1177 O LEU A 75 -4.548 -0.449 -7.793 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.943 -1.289 -4.690 1.00 0.00 C ATOM 1179 CG LEU A 75 -5.087 -2.148 -4.122 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.642 -3.592 -3.908 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.611 -1.546 -2.828 1.00 0.00 C ATOM 0 H LEU A 75 -2.609 0.130 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.074 -2.707 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.113 -1.323 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.285 -0.255 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.896 -2.157 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.472 -4.173 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.326 -4.020 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.809 -3.616 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.419 -2.166 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.805 -1.500 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.985 -0.540 -3.020 1.00 0.00 H new ATOM 1193 N ASP A 76 -5.304 -2.498 -7.301 1.00 0.00 N ATOM 1194 CA ASP A 76 -6.393 -2.468 -8.259 1.00 0.00 C ATOM 1195 C ASP A 76 -7.685 -2.042 -7.597 1.00 0.00 C ATOM 1196 O ASP A 76 -7.904 -2.310 -6.413 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.586 -3.843 -8.921 1.00 0.00 C ATOM 1198 CG ASP A 76 -5.766 -4.040 -10.175 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -6.251 -3.685 -11.280 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -4.648 -4.578 -10.107 1.00 0.00 O ATOM 0 H ASP A 76 -5.238 -3.370 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.130 -1.740 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.326 -4.621 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.641 -3.973 -9.164 1.00 0.00 H new ATOM 1205 N ALA A 77 -8.565 -1.423 -8.366 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.869 -0.979 -7.871 1.00 0.00 C ATOM 1207 C ALA A 77 -10.802 -2.171 -7.694 1.00 0.00 C ATOM 1208 O ALA A 77 -11.863 -2.089 -7.083 1.00 0.00 O ATOM 1209 CB ALA A 77 -10.469 0.034 -8.810 1.00 0.00 C ATOM 0 H ALA A 77 -8.402 -1.212 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.731 -0.505 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.438 0.355 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.806 0.896 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.597 -0.414 -9.795 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.388 -3.265 -8.241 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.064 -4.556 -8.104 1.00 0.00 C ATOM 1217 C ASP A 78 -11.078 -5.017 -6.631 1.00 0.00 C ATOM 1218 O ASP A 78 -11.938 -5.778 -6.209 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.361 -5.586 -8.993 1.00 0.00 C ATOM 1220 CG ASP A 78 -10.902 -6.990 -8.854 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.118 -7.199 -9.050 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -10.106 -7.921 -8.618 1.00 0.00 O ATOM 0 H ASP A 78 -9.547 -3.310 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.101 -4.455 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.451 -5.274 -10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.298 -5.592 -8.753 1.00 0.00 H new ATOM 1227 N ALA A 79 -10.146 -4.487 -5.855 1.00 0.00 N ATOM 1228 CA ALA A 79 -10.017 -4.797 -4.437 1.00 0.00 C ATOM 1229 C ALA A 79 -11.140 -4.153 -3.607 1.00 0.00 C ATOM 1230 O ALA A 79 -11.467 -4.625 -2.520 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.657 -4.355 -3.924 1.00 0.00 C ATOM 0 H ALA A 79 -9.450 -3.823 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.106 -5.878 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.573 -4.592 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.874 -4.875 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.547 -3.280 -4.065 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.723 -3.070 -4.134 1.00 0.00 N ATOM 1238 CA ARG A 80 -12.769 -2.275 -3.435 1.00 0.00 C ATOM 1239 C ARG A 80 -13.958 -3.131 -3.002 1.00 0.00 C ATOM 1240 O ARG A 80 -14.573 -2.870 -1.967 1.00 0.00 O ATOM 1241 CB ARG A 80 -13.262 -1.144 -4.330 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.179 -0.168 -4.732 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.658 0.767 -5.826 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.711 1.688 -5.371 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.436 2.482 -6.177 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.227 2.477 -7.489 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -15.381 3.265 -5.669 1.00 0.00 N ATOM 0 H ARG A 80 -11.490 -2.710 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.306 -1.866 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.705 -1.572 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.053 -0.602 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.870 0.413 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.302 -0.716 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.813 1.345 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.034 0.177 -6.662 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.905 1.727 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.513 1.868 -7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.780 3.082 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.558 3.265 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.930 3.867 -6.283 1.00 0.00 H new ATOM 1261 N ARG A 81 -14.244 -4.178 -3.771 1.00 0.00 N ATOM 1262 CA ARG A 81 -15.366 -5.070 -3.483 1.00 0.00 C ATOM 1263 C ARG A 81 -15.135 -5.862 -2.183 1.00 0.00 C ATOM 1264 O ARG A 81 -16.052 -6.452 -1.642 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.594 -6.033 -4.646 1.00 0.00 C ATOM 1266 CG ARG A 81 -14.529 -7.110 -4.786 1.00 0.00 C ATOM 1267 CD ARG A 81 -14.745 -7.932 -6.033 1.00 0.00 C ATOM 1268 NE ARG A 81 -14.394 -7.198 -7.247 1.00 0.00 N ATOM 1269 CZ ARG A 81 -15.234 -6.838 -8.213 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -16.556 -6.936 -8.044 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -14.741 -6.364 -9.343 1.00 0.00 N ATOM 0 H ARG A 81 -13.712 -4.431 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.254 -4.452 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.565 -6.513 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.639 -5.461 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.542 -6.648 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.548 -7.760 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.147 -8.841 -5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.789 -8.240 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.415 -6.938 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.933 -7.291 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.188 -6.656 -8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.732 -6.279 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.370 -6.083 -10.095 1.00 0.00 H new