USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 178:sc= 1.26 USER MOD Set 2.2: A 68 GLN : amide:sc= -6.51! C(o=-5.2!,f=-6.5!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -175:sc= -1.09 (180deg=-1.17) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 17 ASN : amide:sc= 0.683 K(o=0.68,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.3! C(o=-15!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0917 USER MOD Single : A 46 GLN : amide:sc= -0.0604 X(o=-0.06,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= -0.051 (180deg=-1.3) USER MOD Single : A 65 SER OG : rot 56:sc= -0.108 USER MOD Single : A 75 SER OG : rot 150:sc= -0.0178 USER MOD Single : A 77 GLN :FLIP amide:sc= -3.88! C(o=-6.5!,f=-3.9!) USER MOD Single : A 83 THR OG1 : rot 14:sc= 0.331 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00875 USER MOD Single : A 98 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.443 -5.236 -2.579 1.00 0.00 N ATOM 91 CA VAL A 7 -14.523 -3.977 -1.851 1.00 0.00 C ATOM 92 C VAL A 7 -13.563 -2.920 -2.405 1.00 0.00 C ATOM 93 O VAL A 7 -14.011 -1.903 -2.936 1.00 0.00 O ATOM 94 CB VAL A 7 -14.289 -4.151 -0.324 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.393 -3.452 0.455 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.225 -5.622 0.074 1.00 0.00 C ATOM 0 HA VAL A 7 -15.544 -3.626 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.327 -3.698 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.221 -3.579 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.394 -2.390 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.357 -3.886 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.060 -5.701 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.164 -6.111 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.405 -6.107 -0.455 1.00 0.00 H new ATOM 106 N PRO A 8 -12.232 -3.100 -2.261 1.00 0.00 N ATOM 107 CA PRO A 8 -11.247 -2.128 -2.707 1.00 0.00 C ATOM 108 C PRO A 8 -10.436 -2.582 -3.939 1.00 0.00 C ATOM 109 O PRO A 8 -11.003 -2.905 -4.984 1.00 0.00 O ATOM 110 CB PRO A 8 -10.381 -2.097 -1.457 1.00 0.00 C ATOM 111 CG PRO A 8 -10.269 -3.547 -1.090 1.00 0.00 C ATOM 112 CD PRO A 8 -11.537 -4.215 -1.600 1.00 0.00 C ATOM 0 HA PRO A 8 -11.667 -1.179 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.405 -1.653 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.842 -1.513 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.384 -3.995 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.172 -3.669 -0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.319 -5.027 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.128 -4.639 -0.789 1.00 0.00 H new ATOM 120 N LEU A 9 -9.104 -2.583 -3.801 1.00 0.00 N ATOM 121 CA LEU A 9 -8.185 -2.965 -4.869 1.00 0.00 C ATOM 122 C LEU A 9 -8.414 -4.395 -5.351 1.00 0.00 C ATOM 123 O LEU A 9 -8.380 -5.343 -4.566 1.00 0.00 O ATOM 124 CB LEU A 9 -6.743 -2.832 -4.345 1.00 0.00 C ATOM 125 CG LEU A 9 -5.592 -2.975 -5.366 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.063 -3.556 -6.684 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.912 -1.638 -5.610 1.00 0.00 C ATOM 0 H LEU A 9 -8.635 -2.316 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.361 -2.304 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.648 -1.857 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.598 -3.583 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.874 -3.670 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.219 -3.637 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.489 -4.545 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.821 -2.904 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.106 -1.766 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.639 -0.926 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.503 -1.261 -4.673 1.00 0.00 H new ATOM 139 N THR A 10 -8.592 -4.542 -6.662 1.00 0.00 N ATOM 140 CA THR A 10 -8.763 -5.850 -7.272 1.00 0.00 C ATOM 141 C THR A 10 -7.445 -6.292 -7.900 1.00 0.00 C ATOM 142 O THR A 10 -6.890 -5.597 -8.751 1.00 0.00 O ATOM 143 CB THR A 10 -9.852 -5.819 -8.339 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.123 -5.589 -7.757 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.930 -7.105 -9.136 1.00 0.00 C ATOM 0 H THR A 10 -8.621 -3.764 -7.322 1.00 0.00 H new ATOM 0 HA THR A 10 -9.063 -6.556 -6.498 1.00 0.00 H new ATOM 0 HB THR A 10 -9.582 -5.005 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.806 -5.571 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.723 -7.024 -9.880 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.978 -7.281 -9.637 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.146 -7.936 -8.465 1.00 0.00 H new ATOM 153 N PHE A 11 -6.945 -7.441 -7.474 1.00 0.00 N ATOM 154 CA PHE A 11 -5.688 -7.965 -7.992 1.00 0.00 C ATOM 155 C PHE A 11 -5.928 -8.848 -9.217 1.00 0.00 C ATOM 156 O PHE A 11 -7.066 -9.023 -9.652 1.00 0.00 O ATOM 157 CB PHE A 11 -4.963 -8.744 -6.900 1.00 0.00 C ATOM 158 CG PHE A 11 -5.586 -10.061 -6.605 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.680 -10.162 -5.770 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.071 -11.197 -7.179 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.252 -11.389 -5.514 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.629 -12.425 -6.932 1.00 0.00 C ATOM 163 CZ PHE A 11 -6.725 -12.525 -6.097 1.00 0.00 C ATOM 0 H PHE A 11 -7.390 -8.030 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.063 -7.128 -8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.927 -8.899 -7.201 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.944 -8.146 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.091 -9.273 -5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.215 -11.122 -7.834 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.109 -11.462 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.213 -13.311 -7.389 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.169 -13.490 -5.900 1.00 0.00 H new ATOM 173 N THR A 12 -4.850 -9.392 -9.774 1.00 0.00 N ATOM 174 CA THR A 12 -4.953 -10.246 -10.959 1.00 0.00 C ATOM 175 C THR A 12 -5.297 -11.688 -10.580 1.00 0.00 C ATOM 176 O THR A 12 -5.788 -11.951 -9.491 1.00 0.00 O ATOM 177 CB THR A 12 -3.643 -10.208 -11.753 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.852 -10.650 -13.081 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.547 -11.057 -11.143 1.00 0.00 C ATOM 0 H THR A 12 -3.899 -9.260 -9.429 1.00 0.00 H new ATOM 0 HA THR A 12 -5.761 -9.860 -11.581 1.00 0.00 H new ATOM 0 HB THR A 12 -3.320 -9.167 -11.733 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.005 -10.617 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.648 -10.985 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.330 -10.702 -10.136 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.873 -12.096 -11.099 1.00 0.00 H new ATOM 187 N ASP A 13 -5.034 -12.616 -11.489 1.00 0.00 N ATOM 188 CA ASP A 13 -5.306 -14.028 -11.244 1.00 0.00 C ATOM 189 C ASP A 13 -4.086 -14.715 -10.646 1.00 0.00 C ATOM 190 O ASP A 13 -4.197 -15.521 -9.727 1.00 0.00 O ATOM 191 CB ASP A 13 -5.704 -14.724 -12.543 1.00 0.00 C ATOM 192 CG ASP A 13 -6.255 -16.114 -12.306 1.00 0.00 C ATOM 193 OD1 ASP A 13 -5.450 -17.035 -12.053 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.490 -16.283 -12.376 1.00 0.00 O ATOM 0 H ASP A 13 -4.632 -12.417 -12.405 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.130 -14.097 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.452 -14.123 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.836 -14.787 -13.199 1.00 0.00 H new ATOM 199 N ALA A 14 -2.923 -14.390 -11.189 1.00 0.00 N ATOM 200 CA ALA A 14 -1.672 -14.977 -10.734 1.00 0.00 C ATOM 201 C ALA A 14 -1.414 -14.664 -9.273 1.00 0.00 C ATOM 202 O ALA A 14 -0.989 -15.528 -8.507 1.00 0.00 O ATOM 203 CB ALA A 14 -0.516 -14.492 -11.596 1.00 0.00 C ATOM 0 H ALA A 14 -2.819 -13.719 -11.950 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.754 -16.059 -10.832 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.413 -14.940 -11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.688 -14.782 -12.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.444 -13.406 -11.530 1.00 0.00 H new ATOM 209 N ALA A 15 -1.682 -13.427 -8.864 1.00 0.00 N ATOM 210 CA ALA A 15 -1.482 -13.051 -7.472 1.00 0.00 C ATOM 211 C ALA A 15 -2.214 -14.046 -6.580 1.00 0.00 C ATOM 212 O ALA A 15 -1.766 -14.371 -5.481 1.00 0.00 O ATOM 213 CB ALA A 15 -1.942 -11.623 -7.221 1.00 0.00 C ATOM 0 H ALA A 15 -2.032 -12.681 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.419 -13.083 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.781 -11.368 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.372 -10.941 -7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.002 -11.536 -7.457 1.00 0.00 H new ATOM 219 N ALA A 16 -3.319 -14.566 -7.101 1.00 0.00 N ATOM 220 CA ALA A 16 -4.097 -15.576 -6.400 1.00 0.00 C ATOM 221 C ALA A 16 -3.362 -16.896 -6.465 1.00 0.00 C ATOM 222 O ALA A 16 -3.302 -17.656 -5.499 1.00 0.00 O ATOM 223 CB ALA A 16 -5.451 -15.741 -7.054 1.00 0.00 C ATOM 0 H ALA A 16 -3.696 -14.302 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.233 -15.265 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.023 -16.500 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.988 -14.793 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.319 -16.050 -8.091 1.00 0.00 H new ATOM 229 N ASN A 17 -2.819 -17.154 -7.646 1.00 0.00 N ATOM 230 CA ASN A 17 -2.091 -18.381 -7.927 1.00 0.00 C ATOM 231 C ASN A 17 -0.974 -18.613 -6.917 1.00 0.00 C ATOM 232 O ASN A 17 -0.893 -19.679 -6.317 1.00 0.00 O ATOM 233 CB ASN A 17 -1.507 -18.337 -9.339 1.00 0.00 C ATOM 234 CG ASN A 17 -2.519 -18.667 -10.410 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.316 -19.583 -11.208 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.619 -17.925 -10.438 1.00 0.00 N ATOM 0 H ASN A 17 -2.872 -16.515 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.797 -19.208 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.100 -17.343 -9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.676 -19.040 -9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.337 -18.104 -11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.746 -17.176 -9.758 1.00 0.00 H new ATOM 243 N LYS A 18 -0.109 -17.612 -6.714 1.00 0.00 N ATOM 244 CA LYS A 18 0.984 -17.765 -5.762 1.00 0.00 C ATOM 245 C LYS A 18 0.429 -18.149 -4.404 1.00 0.00 C ATOM 246 O LYS A 18 1.042 -18.919 -3.666 1.00 0.00 O ATOM 247 CB LYS A 18 1.828 -16.495 -5.675 1.00 0.00 C ATOM 248 CG LYS A 18 1.024 -15.241 -5.390 1.00 0.00 C ATOM 249 CD LYS A 18 0.814 -15.039 -3.898 1.00 0.00 C ATOM 250 CE LYS A 18 1.891 -14.159 -3.285 1.00 0.00 C ATOM 251 NZ LYS A 18 3.248 -14.479 -3.811 1.00 0.00 N ATOM 0 H LYS A 18 -0.146 -16.709 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 18 1.641 -18.562 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.576 -16.621 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.367 -16.364 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.539 -14.375 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.057 -15.307 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.163 -14.588 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.809 -16.008 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.662 -13.113 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.885 -14.282 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.959 -13.914 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.445 -15.490 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.288 -14.256 -4.826 1.00 0.00 H new ATOM 265 N VAL A 19 -0.751 -17.621 -4.087 1.00 0.00 N ATOM 266 CA VAL A 19 -1.401 -17.922 -2.823 1.00 0.00 C ATOM 267 C VAL A 19 -1.920 -19.355 -2.820 1.00 0.00 C ATOM 268 O VAL A 19 -1.397 -20.205 -2.110 1.00 0.00 O ATOM 269 CB VAL A 19 -2.576 -16.960 -2.546 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.255 -17.295 -1.224 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.101 -15.517 -2.554 1.00 0.00 C ATOM 0 H VAL A 19 -1.272 -16.984 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.655 -17.797 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.309 -17.085 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.079 -16.603 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.639 -18.314 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.533 -17.208 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.944 -14.855 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.343 -15.379 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.674 -15.280 -3.528 1.00 0.00 H new ATOM 281 N LYS A 20 -2.951 -19.594 -3.614 1.00 0.00 N ATOM 282 CA LYS A 20 -3.566 -20.920 -3.722 1.00 0.00 C ATOM 283 C LYS A 20 -2.561 -21.998 -4.090 1.00 0.00 C ATOM 284 O LYS A 20 -2.827 -23.187 -3.907 1.00 0.00 O ATOM 285 CB LYS A 20 -4.670 -20.902 -4.778 1.00 0.00 C ATOM 286 CG LYS A 20 -4.262 -20.213 -6.070 1.00 0.00 C ATOM 287 CD LYS A 20 -4.290 -21.176 -7.247 1.00 0.00 C ATOM 288 CE LYS A 20 -3.291 -22.304 -7.063 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.140 -23.118 -8.304 1.00 0.00 N ATOM 0 H LYS A 20 -3.388 -18.883 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.976 -21.156 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.966 -21.927 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.546 -20.399 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.934 -19.377 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.260 -19.798 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.292 -21.590 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.066 -20.636 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.323 -21.890 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.615 -22.946 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.450 -23.878 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.058 -23.534 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.807 -22.510 -9.079 1.00 0.00 H new ATOM 303 N SER A 21 -1.431 -21.598 -4.652 1.00 0.00 N ATOM 304 CA SER A 21 -0.432 -22.565 -5.090 1.00 0.00 C ATOM 305 C SER A 21 0.551 -22.930 -3.982 1.00 0.00 C ATOM 306 O SER A 21 0.877 -24.104 -3.802 1.00 0.00 O ATOM 307 CB SER A 21 0.335 -22.029 -6.299 1.00 0.00 C ATOM 308 OG SER A 21 1.217 -23.011 -6.815 1.00 0.00 O ATOM 0 H SER A 21 -1.183 -20.622 -4.815 1.00 0.00 H new ATOM 0 HA SER A 21 -0.971 -23.471 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.368 -21.723 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.900 -21.142 -6.012 1.00 0.00 H new ATOM 0 HG SER A 21 1.696 -22.647 -7.589 1.00 0.00 H new ATOM 314 N LEU A 22 1.031 -21.938 -3.249 1.00 0.00 N ATOM 315 CA LEU A 22 1.985 -22.199 -2.181 1.00 0.00 C ATOM 316 C LEU A 22 1.259 -22.620 -0.913 1.00 0.00 C ATOM 317 O LEU A 22 1.821 -23.333 -0.078 1.00 0.00 O ATOM 318 CB LEU A 22 2.904 -20.982 -1.950 1.00 0.00 C ATOM 319 CG LEU A 22 2.604 -20.084 -0.740 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.246 -19.429 -0.888 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.695 -20.855 0.568 1.00 0.00 C ATOM 0 H LEU A 22 0.780 -20.957 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 22 2.628 -23.027 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.926 -21.347 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.871 -20.361 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 22 3.364 -19.303 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.051 -18.797 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.232 -18.820 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.477 -20.198 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.476 -20.186 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.973 -21.672 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.700 -21.260 0.682 1.00 0.00 H new ATOM 333 N ILE A 23 0.006 -22.210 -0.775 1.00 0.00 N ATOM 334 CA ILE A 23 -0.777 -22.579 0.380 1.00 0.00 C ATOM 335 C ILE A 23 -1.178 -24.029 0.291 1.00 0.00 C ATOM 336 O ILE A 23 -0.985 -24.804 1.226 1.00 0.00 O ATOM 337 CB ILE A 23 -2.022 -21.706 0.511 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.864 -21.783 -0.743 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.623 -20.267 0.777 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.997 -22.786 -0.657 1.00 0.00 C ATOM 0 H ILE A 23 -0.483 -21.623 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.160 -22.425 1.265 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.613 -22.075 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.279 -20.797 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.223 -22.044 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.518 -19.652 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.050 -20.214 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.014 -19.900 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.556 -22.785 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.589 -23.781 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.662 -22.515 0.163 1.00 0.00 H new ATOM 352 N SER A 24 -1.693 -24.416 -0.861 1.00 0.00 N ATOM 353 CA SER A 24 -2.076 -25.800 -1.098 1.00 0.00 C ATOM 354 C SER A 24 -0.857 -26.685 -0.926 1.00 0.00 C ATOM 355 O SER A 24 -0.967 -27.882 -0.629 1.00 0.00 O ATOM 356 CB SER A 24 -2.647 -25.963 -2.508 1.00 0.00 C ATOM 357 OG SER A 24 -4.052 -25.784 -2.513 1.00 0.00 O ATOM 0 H SER A 24 -1.857 -23.792 -1.651 1.00 0.00 H new ATOM 0 HA SER A 24 -2.846 -26.089 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.183 -25.239 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.402 -26.954 -2.891 1.00 0.00 H new ATOM 0 HG SER A 24 -4.392 -25.891 -3.426 1.00 0.00 H new ATOM 363 N GLU A 25 0.318 -26.080 -1.097 1.00 0.00 N ATOM 364 CA GLU A 25 1.574 -26.777 -0.955 1.00 0.00 C ATOM 365 C GLU A 25 1.966 -26.868 0.519 1.00 0.00 C ATOM 366 O GLU A 25 2.768 -27.715 0.904 1.00 0.00 O ATOM 367 CB GLU A 25 2.675 -26.074 -1.749 1.00 0.00 C ATOM 368 CG GLU A 25 3.364 -26.972 -2.764 1.00 0.00 C ATOM 369 CD GLU A 25 4.696 -26.418 -3.228 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.738 -25.241 -3.642 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.701 -27.156 -3.166 1.00 0.00 O ATOM 0 H GLU A 25 0.415 -25.093 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 25 1.452 -27.785 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.246 -25.217 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.421 -25.686 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.519 -27.958 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.711 -27.106 -3.626 1.00 0.00 H new ATOM 378 N GLU A 26 1.378 -25.996 1.335 1.00 0.00 N ATOM 379 CA GLU A 26 1.658 -25.996 2.757 1.00 0.00 C ATOM 380 C GLU A 26 0.855 -27.088 3.442 1.00 0.00 C ATOM 381 O GLU A 26 1.161 -27.483 4.574 1.00 0.00 O ATOM 382 CB GLU A 26 1.339 -24.641 3.363 1.00 0.00 C ATOM 383 CG GLU A 26 2.118 -23.501 2.733 1.00 0.00 C ATOM 384 CD GLU A 26 3.109 -22.868 3.692 1.00 0.00 C ATOM 385 OE1 GLU A 26 2.667 -22.151 4.615 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.325 -23.087 3.518 1.00 0.00 O ATOM 0 H GLU A 26 0.710 -25.287 1.032 1.00 0.00 H new ATOM 0 HA GLU A 26 2.720 -26.194 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.272 -24.445 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.552 -24.670 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.652 -23.871 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.421 -22.740 2.383 1.00 0.00 H new ATOM 393 N GLU A 27 -0.191 -27.546 2.756 1.00 0.00 N ATOM 394 CA GLU A 27 -1.069 -28.576 3.288 1.00 0.00 C ATOM 395 C GLU A 27 -2.080 -27.949 4.233 1.00 0.00 C ATOM 396 O GLU A 27 -2.801 -28.645 4.943 1.00 0.00 O ATOM 397 CB GLU A 27 -0.276 -29.666 4.015 1.00 0.00 C ATOM 398 CG GLU A 27 -1.008 -30.998 4.101 1.00 0.00 C ATOM 399 CD GLU A 27 -0.405 -31.925 5.137 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.361 -31.544 6.330 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.024 -33.032 4.752 1.00 0.00 O ATOM 0 H GLU A 27 -0.448 -27.215 1.826 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.590 -29.044 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.674 -29.816 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.043 -29.323 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.055 -30.818 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.986 -31.485 3.126 1.00 0.00 H new ATOM 408 N ASN A 28 -2.142 -26.609 4.233 1.00 0.00 N ATOM 409 CA ASN A 28 -3.085 -25.913 5.094 1.00 0.00 C ATOM 410 C ASN A 28 -4.486 -26.396 4.807 1.00 0.00 C ATOM 411 O ASN A 28 -5.096 -27.081 5.620 1.00 0.00 O ATOM 412 CB ASN A 28 -3.051 -24.392 4.886 1.00 0.00 C ATOM 413 CG ASN A 28 -1.720 -23.872 4.406 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.690 -23.435 3.158 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.736 -23.861 5.140 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.559 -26.003 3.655 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.796 -26.128 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.820 -24.116 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.305 -23.901 5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.809 -24.209 6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.154 -23.504 4.794 1.00 0.00 H new ATOM 422 N THR A 29 -4.998 -26.021 3.622 1.00 0.00 N ATOM 423 CA THR A 29 -6.348 -26.417 3.219 1.00 0.00 C ATOM 424 C THR A 29 -6.905 -25.509 2.116 1.00 0.00 C ATOM 425 O THR A 29 -7.483 -25.995 1.145 1.00 0.00 O ATOM 426 CB THR A 29 -7.296 -26.334 4.423 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.650 -26.289 3.997 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.040 -25.127 5.289 1.00 0.00 C ATOM 0 H THR A 29 -4.500 -25.451 2.938 1.00 0.00 H new ATOM 0 HA THR A 29 -6.283 -27.437 2.840 1.00 0.00 H new ATOM 0 HB THR A 29 -7.105 -27.232 5.011 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.238 -26.238 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.741 -25.123 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.020 -25.164 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.174 -24.221 4.699 1.00 0.00 H new ATOM 436 N ASP A 30 -6.755 -24.199 2.292 1.00 0.00 N ATOM 437 CA ASP A 30 -7.265 -23.221 1.347 1.00 0.00 C ATOM 438 C ASP A 30 -7.088 -21.846 1.935 1.00 0.00 C ATOM 439 O ASP A 30 -8.048 -21.172 2.310 1.00 0.00 O ATOM 440 CB ASP A 30 -8.742 -23.483 1.034 1.00 0.00 C ATOM 441 CG ASP A 30 -8.953 -23.986 -0.385 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.953 -23.150 -1.313 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.116 -25.211 -0.564 1.00 0.00 O ATOM 0 H ASP A 30 -6.276 -23.790 3.094 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.711 -23.298 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.136 -24.216 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.310 -22.564 1.179 1.00 0.00 H new ATOM 448 N LEU A 31 -5.836 -21.462 2.050 1.00 0.00 N ATOM 449 CA LEU A 31 -5.453 -20.203 2.639 1.00 0.00 C ATOM 450 C LEU A 31 -6.043 -19.007 1.915 1.00 0.00 C ATOM 451 O LEU A 31 -6.339 -19.054 0.722 1.00 0.00 O ATOM 452 CB LEU A 31 -3.938 -20.108 2.637 1.00 0.00 C ATOM 453 CG LEU A 31 -3.297 -20.055 4.014 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.926 -18.953 4.832 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.446 -21.392 4.717 1.00 0.00 C ATOM 0 H LEU A 31 -5.047 -22.025 1.732 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.847 -20.177 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.536 -20.966 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.645 -19.217 2.082 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.234 -19.844 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.462 -18.921 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.778 -17.997 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.994 -19.144 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.982 -21.339 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.504 -21.630 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.959 -22.169 4.128 1.00 0.00 H new ATOM 467 N LYS A 32 -6.186 -17.930 2.671 1.00 0.00 N ATOM 468 CA LYS A 32 -6.716 -16.681 2.158 1.00 0.00 C ATOM 469 C LYS A 32 -5.643 -15.607 2.265 1.00 0.00 C ATOM 470 O LYS A 32 -5.126 -15.345 3.351 1.00 0.00 O ATOM 471 CB LYS A 32 -7.967 -16.251 2.937 1.00 0.00 C ATOM 472 CG LYS A 32 -8.701 -17.389 3.641 1.00 0.00 C ATOM 473 CD LYS A 32 -9.119 -16.995 5.049 1.00 0.00 C ATOM 474 CE LYS A 32 -9.981 -15.744 5.046 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.096 -15.144 6.403 1.00 0.00 N ATOM 0 H LYS A 32 -5.937 -17.899 3.660 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.002 -16.821 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.678 -15.508 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.657 -15.762 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.582 -17.668 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.057 -18.267 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.669 -17.816 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.232 -16.825 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.555 -15.012 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.975 -15.989 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.692 -14.293 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.526 -15.833 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.150 -14.886 6.750 1.00 0.00 H new ATOM 489 N LEU A 33 -5.297 -14.999 1.141 1.00 0.00 N ATOM 490 CA LEU A 33 -4.273 -13.975 1.124 1.00 0.00 C ATOM 491 C LEU A 33 -4.650 -12.814 2.033 1.00 0.00 C ATOM 492 O LEU A 33 -5.815 -12.433 2.123 1.00 0.00 O ATOM 493 CB LEU A 33 -4.077 -13.481 -0.306 1.00 0.00 C ATOM 494 CG LEU A 33 -2.763 -12.750 -0.584 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.803 -11.337 -0.019 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.583 -13.522 -0.014 1.00 0.00 C ATOM 0 H LEU A 33 -5.712 -15.199 0.231 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.341 -14.403 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.144 -14.336 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.902 -12.814 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.635 -12.683 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.858 -10.835 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.619 -10.783 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.960 -11.380 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.660 -12.982 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.704 -13.628 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.539 -14.510 -0.473 1.00 0.00 H new ATOM 508 N ARG A 34 -3.649 -12.248 2.695 1.00 0.00 N ATOM 509 CA ARG A 34 -3.867 -11.118 3.585 1.00 0.00 C ATOM 510 C ARG A 34 -2.820 -10.046 3.333 1.00 0.00 C ATOM 511 O ARG A 34 -1.712 -10.095 3.865 1.00 0.00 O ATOM 512 CB ARG A 34 -3.843 -11.563 5.047 1.00 0.00 C ATOM 513 CG ARG A 34 -4.017 -10.420 6.035 1.00 0.00 C ATOM 514 CD ARG A 34 -2.682 -9.944 6.586 1.00 0.00 C ATOM 515 NE ARG A 34 -2.553 -10.214 8.017 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.446 -9.980 8.718 1.00 0.00 C ATOM 517 NH1 ARG A 34 -0.373 -9.472 8.127 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.413 -10.254 10.015 1.00 0.00 N ATOM 0 H ARG A 34 -2.678 -12.554 2.631 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.852 -10.700 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.634 -12.295 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.897 -12.066 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.525 -9.590 5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.655 -10.744 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.872 -10.437 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.577 -8.874 6.408 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.358 -10.604 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.393 -9.258 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.472 -9.295 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.236 -10.644 10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.565 -10.075 10.553 1.00 0.00 H new ATOM 532 N VAL A 35 -3.176 -9.096 2.487 1.00 0.00 N ATOM 533 CA VAL A 35 -2.276 -8.016 2.113 1.00 0.00 C ATOM 534 C VAL A 35 -2.074 -6.997 3.222 1.00 0.00 C ATOM 535 O VAL A 35 -2.950 -6.765 4.056 1.00 0.00 O ATOM 536 CB VAL A 35 -2.803 -7.272 0.880 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.762 -6.295 0.353 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.215 -8.255 -0.195 1.00 0.00 C ATOM 0 H VAL A 35 -4.092 -9.050 2.041 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.319 -8.493 1.902 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.682 -6.699 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.158 -5.779 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.522 -5.566 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.860 -6.840 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.587 -7.710 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.355 -8.858 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.001 -8.906 0.189 1.00 0.00 H new ATOM 548 N TYR A 36 -0.909 -6.366 3.182 1.00 0.00 N ATOM 549 CA TYR A 36 -0.546 -5.323 4.129 1.00 0.00 C ATOM 550 C TYR A 36 0.223 -4.235 3.393 1.00 0.00 C ATOM 551 O TYR A 36 0.430 -4.329 2.183 1.00 0.00 O ATOM 552 CB TYR A 36 0.289 -5.876 5.289 1.00 0.00 C ATOM 553 CG TYR A 36 1.089 -7.113 4.949 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.458 -8.325 4.707 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.476 -7.068 4.877 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.186 -9.460 4.403 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.212 -8.197 4.575 1.00 0.00 C ATOM 558 CZ TYR A 36 2.564 -9.390 4.338 1.00 0.00 C ATOM 559 OH TYR A 36 3.297 -10.517 4.039 1.00 0.00 O ATOM 0 H TYR A 36 -0.187 -6.564 2.489 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.458 -4.909 4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.972 -5.099 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.376 -6.106 6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.619 -8.382 4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.987 -6.134 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.680 -10.396 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.290 -8.145 4.525 1.00 0.00 H new ATOM 0 HH TYR A 36 4.251 -10.294 4.032 1.00 0.00 H new ATOM 569 N ILE A 37 0.638 -3.201 4.107 1.00 0.00 N ATOM 570 CA ILE A 37 1.373 -2.112 3.480 1.00 0.00 C ATOM 571 C ILE A 37 2.868 -2.419 3.417 1.00 0.00 C ATOM 572 O ILE A 37 3.530 -2.566 4.445 1.00 0.00 O ATOM 573 CB ILE A 37 1.137 -0.774 4.212 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.277 -0.260 3.931 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.164 0.263 3.782 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.558 -0.046 2.461 1.00 0.00 C ATOM 0 H ILE A 37 0.482 -3.092 5.109 1.00 0.00 H new ATOM 0 HA ILE A 37 0.995 -2.015 2.462 1.00 0.00 H new ATOM 0 HB ILE A 37 1.246 -0.945 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.000 -0.971 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.426 0.680 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.979 1.199 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.165 -0.096 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.084 0.431 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.577 0.319 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.142 0.687 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.441 -0.989 1.927 1.00 0.00 H new ATOM 672 N GLN A 46 3.160 -1.908 -4.051 1.00 0.00 N ATOM 673 CA GLN A 46 3.507 -3.317 -3.905 1.00 0.00 C ATOM 674 C GLN A 46 2.611 -4.018 -2.892 1.00 0.00 C ATOM 675 O GLN A 46 1.772 -4.835 -3.260 1.00 0.00 O ATOM 676 CB GLN A 46 4.968 -3.462 -3.495 1.00 0.00 C ATOM 677 CG GLN A 46 5.909 -2.576 -4.290 1.00 0.00 C ATOM 678 CD GLN A 46 7.285 -2.525 -3.675 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.832 -1.454 -3.412 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.849 -3.699 -3.448 1.00 0.00 N ATOM 0 HA GLN A 46 3.353 -3.794 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.065 -3.224 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.270 -4.502 -3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.981 -2.948 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.498 -1.568 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.352 -4.558 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.781 -3.746 -3.036 1.00 0.00 H new ATOM 689 N TYR A 47 2.799 -3.705 -1.616 1.00 0.00 N ATOM 690 CA TYR A 47 2.011 -4.316 -0.550 1.00 0.00 C ATOM 691 C TYR A 47 2.433 -5.762 -0.325 1.00 0.00 C ATOM 692 O TYR A 47 2.514 -6.552 -1.264 1.00 0.00 O ATOM 693 CB TYR A 47 0.517 -4.246 -0.873 1.00 0.00 C ATOM 694 CG TYR A 47 0.060 -2.872 -1.296 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.273 -1.912 -0.352 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.036 -2.534 -2.638 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.691 -0.651 -0.733 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.451 -1.277 -3.030 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.778 -0.339 -2.073 1.00 0.00 C ATOM 700 OH TYR A 47 -1.194 0.914 -2.457 1.00 0.00 O ATOM 0 H TYR A 47 3.492 -3.030 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 47 2.195 -3.756 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.291 -4.957 -1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.052 -4.556 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.205 -2.154 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.218 -3.267 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.948 0.085 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.519 -1.030 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.199 0.971 -3.435 1.00 0.00 H new ATOM 710 N GLY A 48 2.710 -6.096 0.930 1.00 0.00 N ATOM 711 CA GLY A 48 3.132 -7.445 1.267 1.00 0.00 C ATOM 712 C GLY A 48 1.973 -8.415 1.380 1.00 0.00 C ATOM 713 O GLY A 48 0.976 -8.129 2.043 1.00 0.00 O ATOM 0 H GLY A 48 2.650 -5.456 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.826 -7.803 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.676 -7.425 2.212 1.00 0.00 H new ATOM 717 N PHE A 49 2.100 -9.560 0.718 1.00 0.00 N ATOM 718 CA PHE A 49 1.056 -10.576 0.729 1.00 0.00 C ATOM 719 C PHE A 49 1.406 -11.759 1.625 1.00 0.00 C ATOM 720 O PHE A 49 2.499 -12.318 1.540 1.00 0.00 O ATOM 721 CB PHE A 49 0.814 -11.085 -0.687 1.00 0.00 C ATOM 722 CG PHE A 49 -0.118 -10.222 -1.475 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.059 -8.846 -1.368 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.062 -10.790 -2.308 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.923 -8.047 -2.081 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.935 -10.000 -3.026 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.866 -8.624 -2.913 1.00 0.00 C ATOM 0 H PHE A 49 2.920 -9.808 0.165 1.00 0.00 H new ATOM 0 HA PHE A 49 0.157 -10.105 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.768 -11.150 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.408 -12.095 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.674 -8.392 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.117 -11.865 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.865 -6.972 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.670 -10.455 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.547 -8.000 -3.473 1.00 0.00 H new ATOM 737 N THR A 50 0.448 -12.154 2.455 1.00 0.00 N ATOM 738 CA THR A 50 0.623 -13.298 3.346 1.00 0.00 C ATOM 739 C THR A 50 -0.569 -14.243 3.214 1.00 0.00 C ATOM 740 O THR A 50 -1.613 -13.862 2.686 1.00 0.00 O ATOM 741 CB THR A 50 0.784 -12.851 4.801 1.00 0.00 C ATOM 742 OG1 THR A 50 1.326 -13.898 5.588 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.516 -12.425 5.439 1.00 0.00 C ATOM 0 H THR A 50 -0.461 -11.698 2.531 1.00 0.00 H new ATOM 0 HA THR A 50 1.534 -13.821 3.055 1.00 0.00 H new ATOM 0 HB THR A 50 1.454 -11.992 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.424 -13.594 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.333 -12.120 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.937 -11.588 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.218 -13.259 5.427 1.00 0.00 H new ATOM 751 N PHE A 51 -0.416 -15.470 3.689 1.00 0.00 N ATOM 752 CA PHE A 51 -1.482 -16.452 3.609 1.00 0.00 C ATOM 753 C PHE A 51 -2.081 -16.680 4.984 1.00 0.00 C ATOM 754 O PHE A 51 -1.535 -17.413 5.808 1.00 0.00 O ATOM 755 CB PHE A 51 -0.935 -17.736 2.985 1.00 0.00 C ATOM 756 CG PHE A 51 0.044 -17.427 1.890 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.400 -16.960 0.665 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.406 -17.547 2.107 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.501 -16.617 -0.326 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.311 -17.216 1.117 1.00 0.00 C ATOM 761 CZ PHE A 51 1.858 -16.747 -0.100 1.00 0.00 C ATOM 0 H PHE A 51 0.437 -15.808 4.134 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.287 -16.090 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.450 -18.339 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.757 -18.330 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.460 -16.863 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.765 -17.903 3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.144 -16.248 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.371 -17.324 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.563 -16.482 -0.874 1.00 0.00 H new ATOM 771 N ASP A 52 -3.194 -16.005 5.226 1.00 0.00 N ATOM 772 CA ASP A 52 -3.887 -16.072 6.506 1.00 0.00 C ATOM 773 C ASP A 52 -5.297 -16.640 6.347 1.00 0.00 C ATOM 774 O ASP A 52 -6.191 -15.988 5.826 1.00 0.00 O ATOM 775 CB ASP A 52 -3.938 -14.674 7.128 1.00 0.00 C ATOM 776 CG ASP A 52 -4.802 -14.604 8.368 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.021 -14.845 8.264 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.255 -14.309 9.451 1.00 0.00 O ATOM 0 H ASP A 52 -3.643 -15.396 4.542 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.338 -16.744 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.926 -14.359 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.317 -13.968 6.389 1.00 0.00 H new ATOM 783 N GLU A 53 -5.463 -17.884 6.799 1.00 0.00 N ATOM 784 CA GLU A 53 -6.743 -18.581 6.704 1.00 0.00 C ATOM 785 C GLU A 53 -7.737 -18.144 7.781 1.00 0.00 C ATOM 786 O GLU A 53 -8.936 -18.394 7.659 1.00 0.00 O ATOM 787 CB GLU A 53 -6.519 -20.090 6.804 1.00 0.00 C ATOM 788 CG GLU A 53 -7.098 -20.860 5.629 1.00 0.00 C ATOM 789 CD GLU A 53 -8.186 -21.833 6.053 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.877 -22.798 6.773 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.352 -21.620 5.653 1.00 0.00 O ATOM 0 H GLU A 53 -4.721 -18.431 7.237 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.175 -18.322 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.449 -20.289 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.968 -20.457 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.506 -20.157 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.300 -21.408 5.128 1.00 0.00 H new ATOM 881 N LEU A 60 -10.819 -5.938 5.553 1.00 0.00 N ATOM 882 CA LEU A 60 -11.680 -6.097 4.387 1.00 0.00 C ATOM 883 C LEU A 60 -11.209 -7.275 3.548 1.00 0.00 C ATOM 884 O LEU A 60 -10.047 -7.671 3.632 1.00 0.00 O ATOM 885 CB LEU A 60 -11.722 -4.815 3.549 1.00 0.00 C ATOM 886 CG LEU A 60 -11.887 -3.515 4.344 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.505 -2.440 3.468 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.727 -3.740 5.591 1.00 0.00 C ATOM 0 HA LEU A 60 -12.694 -6.296 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.802 -4.751 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.544 -4.893 2.838 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.900 -3.181 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.617 -1.521 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.859 -2.254 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.483 -2.772 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.828 -2.801 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.715 -4.101 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.242 -4.479 6.228 1.00 0.00 H new ATOM 900 N THR A 61 -12.103 -7.855 2.758 1.00 0.00 N ATOM 901 CA THR A 61 -11.741 -9.008 1.946 1.00 0.00 C ATOM 902 C THR A 61 -12.319 -8.937 0.534 1.00 0.00 C ATOM 903 O THR A 61 -13.368 -8.339 0.298 1.00 0.00 O ATOM 904 CB THR A 61 -12.169 -10.308 2.636 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.279 -10.891 1.979 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.544 -10.126 4.094 1.00 0.00 C ATOM 0 H THR A 61 -13.072 -7.551 2.663 1.00 0.00 H new ATOM 0 HA THR A 61 -10.656 -8.996 1.846 1.00 0.00 H new ATOM 0 HB THR A 61 -11.294 -10.955 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.516 -11.732 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.836 -11.087 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.689 -9.733 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.377 -9.427 4.171 1.00 0.00 H new ATOM 914 N ILE A 62 -11.601 -9.563 -0.395 1.00 0.00 N ATOM 915 CA ILE A 62 -11.983 -9.606 -1.796 1.00 0.00 C ATOM 916 C ILE A 62 -11.631 -10.966 -2.397 1.00 0.00 C ATOM 917 O ILE A 62 -10.510 -11.175 -2.855 1.00 0.00 O ATOM 918 CB ILE A 62 -11.256 -8.509 -2.598 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.893 -8.175 -1.968 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.126 -7.271 -2.698 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.966 -7.261 -0.758 1.00 0.00 C ATOM 0 H ILE A 62 -10.732 -10.057 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.059 -9.440 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.070 -8.884 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.404 -9.105 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.263 -7.707 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.602 -6.503 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.059 -7.522 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.343 -6.897 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.961 -7.079 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.423 -6.314 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.567 -7.733 0.019 1.00 0.00 H new ATOM 933 N GLU A 63 -12.583 -11.897 -2.389 1.00 0.00 N ATOM 934 CA GLU A 63 -12.338 -13.233 -2.928 1.00 0.00 C ATOM 935 C GLU A 63 -11.943 -13.164 -4.397 1.00 0.00 C ATOM 936 O GLU A 63 -12.304 -12.221 -5.100 1.00 0.00 O ATOM 937 CB GLU A 63 -13.576 -14.108 -2.767 1.00 0.00 C ATOM 938 CG GLU A 63 -13.292 -15.597 -2.872 1.00 0.00 C ATOM 939 CD GLU A 63 -14.549 -16.433 -2.873 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.453 -16.142 -3.683 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.635 -17.379 -2.061 1.00 0.00 O ATOM 0 H GLU A 63 -13.523 -11.753 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.514 -13.674 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.032 -13.902 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.306 -13.832 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.731 -15.792 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.659 -15.901 -2.038 1.00 0.00 H new ATOM 948 N LYS A 64 -11.189 -14.160 -4.853 1.00 0.00 N ATOM 949 CA LYS A 64 -10.741 -14.185 -6.242 1.00 0.00 C ATOM 950 C LYS A 64 -10.303 -15.580 -6.687 1.00 0.00 C ATOM 951 O LYS A 64 -10.531 -16.563 -5.987 1.00 0.00 O ATOM 952 CB LYS A 64 -9.597 -13.185 -6.429 1.00 0.00 C ATOM 953 CG LYS A 64 -10.018 -11.905 -7.139 1.00 0.00 C ATOM 954 CD LYS A 64 -9.985 -12.056 -8.653 1.00 0.00 C ATOM 955 CE LYS A 64 -8.580 -12.350 -9.155 1.00 0.00 C ATOM 956 NZ LYS A 64 -8.462 -12.144 -10.620 1.00 0.00 N ATOM 0 H LYS A 64 -10.878 -14.951 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.587 -13.903 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.184 -12.931 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.799 -13.661 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.025 -11.630 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.357 -11.091 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.655 -12.861 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.355 -11.142 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.868 -11.706 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.315 -13.379 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.858 -12.886 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.406 -12.189 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.040 -11.212 -10.807 1.00 0.00 H new ATOM 970 N SER A 65 -9.677 -15.619 -7.868 1.00 0.00 N ATOM 971 CA SER A 65 -9.174 -16.838 -8.500 1.00 0.00 C ATOM 972 C SER A 65 -9.516 -18.127 -7.752 1.00 0.00 C ATOM 973 O SER A 65 -10.332 -18.927 -8.224 1.00 0.00 O ATOM 974 CB SER A 65 -7.661 -16.745 -8.690 1.00 0.00 C ATOM 975 OG SER A 65 -7.274 -17.270 -9.955 1.00 0.00 O ATOM 0 H SER A 65 -9.503 -14.781 -8.423 1.00 0.00 H new ATOM 0 HA SER A 65 -9.684 -16.900 -9.461 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.344 -15.705 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.156 -17.293 -7.895 1.00 0.00 H new ATOM 0 HG SER A 65 -7.760 -16.802 -10.666 1.00 0.00 H new ATOM 981 N GLY A 66 -8.869 -18.355 -6.618 1.00 0.00 N ATOM 982 CA GLY A 66 -9.115 -19.580 -5.875 1.00 0.00 C ATOM 983 C GLY A 66 -8.950 -19.445 -4.367 1.00 0.00 C ATOM 984 O GLY A 66 -8.796 -20.456 -3.677 1.00 0.00 O ATOM 0 H GLY A 66 -8.185 -17.724 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.127 -19.923 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.435 -20.352 -6.235 1.00 0.00 H new ATOM 988 N VAL A 67 -8.991 -18.223 -3.850 1.00 0.00 N ATOM 989 CA VAL A 67 -8.851 -18.011 -2.418 1.00 0.00 C ATOM 990 C VAL A 67 -9.640 -16.778 -1.971 1.00 0.00 C ATOM 991 O VAL A 67 -10.579 -16.354 -2.645 1.00 0.00 O ATOM 992 CB VAL A 67 -7.367 -17.852 -2.013 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.522 -18.959 -2.620 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.831 -16.482 -2.413 1.00 0.00 C ATOM 0 H VAL A 67 -9.119 -17.372 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.253 -18.893 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.306 -17.931 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.482 -18.828 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.881 -19.926 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.596 -18.919 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.786 -16.399 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.912 -16.361 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.412 -15.705 -1.917 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.244 -16.202 -0.840 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.899 -15.016 -0.311 1.00 0.00 C ATOM 1006 C GLN A 68 -8.853 -13.963 0.062 1.00 0.00 C ATOM 1007 O GLN A 68 -8.013 -14.185 0.933 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.797 -15.405 0.875 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.725 -14.492 2.088 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.684 -13.324 2.006 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.364 -13.001 2.974 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.741 -12.685 0.847 1.00 0.00 N ATOM 0 H GLN A 68 -8.468 -16.542 -0.271 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.541 -14.572 -1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.830 -15.437 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.535 -16.415 1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.942 -15.071 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.708 -14.114 2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.157 -12.989 0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.369 -11.889 0.734 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.897 -12.827 -0.629 1.00 0.00 N ATOM 1022 CA LEU A 69 -7.942 -11.747 -0.390 1.00 0.00 C ATOM 1023 C LEU A 69 -8.432 -10.804 0.700 1.00 0.00 C ATOM 1024 O LEU A 69 -9.242 -9.917 0.443 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.703 -10.960 -1.682 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.406 -11.287 -2.417 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.211 -10.773 -1.639 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.289 -12.785 -2.657 1.00 0.00 C ATOM 0 H LEU A 69 -9.583 -12.630 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.007 -12.197 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.539 -11.141 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.709 -9.896 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.424 -10.788 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.295 -11.015 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.290 -9.692 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.188 -11.242 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.358 -12.998 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.294 -13.308 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.131 -13.124 -3.260 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.926 -10.987 1.913 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.312 -10.135 3.032 1.00 0.00 C ATOM 1042 C VAL A 70 -7.178 -9.165 3.367 1.00 0.00 C ATOM 1043 O VAL A 70 -6.109 -9.572 3.806 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.719 -10.972 4.276 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.264 -12.327 3.855 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.560 -11.155 5.249 1.00 0.00 C ATOM 0 H VAL A 70 -7.250 -11.714 2.147 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.189 -9.559 2.735 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.500 -10.415 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.543 -12.898 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.141 -12.186 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.499 -12.870 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.892 -11.746 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.741 -11.670 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.217 -10.180 5.594 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.407 -7.878 3.138 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.378 -6.877 3.401 1.00 0.00 C ATOM 1058 C ILE A 71 -6.722 -6.007 4.606 1.00 0.00 C ATOM 1059 O ILE A 71 -7.870 -5.953 5.046 1.00 0.00 O ATOM 1060 CB ILE A 71 -6.110 -5.990 2.160 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.150 -4.876 2.037 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.103 -6.841 0.898 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.557 -5.388 1.843 1.00 0.00 C ATOM 0 H ILE A 71 -8.284 -7.505 2.775 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.466 -7.427 3.632 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.132 -5.525 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.117 -4.257 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.886 -4.234 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.914 -6.206 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.320 -7.596 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.070 -7.331 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.243 -4.545 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.605 -5.983 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.840 -6.007 2.695 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.706 -5.341 5.136 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.869 -4.481 6.308 1.00 0.00 C ATOM 1077 C ASP A 72 -6.329 -3.071 5.921 1.00 0.00 C ATOM 1078 O ASP A 72 -5.947 -2.546 4.874 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.550 -4.411 7.080 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.611 -3.480 8.275 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.667 -2.250 8.068 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.603 -3.982 9.420 1.00 0.00 O ATOM 0 H ASP A 72 -4.753 -5.378 4.773 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.644 -4.916 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.281 -5.411 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.759 -4.079 6.408 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.166 -2.442 6.772 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.695 -1.093 6.533 1.00 0.00 C ATOM 1089 C PRO A 73 -6.619 -0.086 6.129 1.00 0.00 C ATOM 1090 O PRO A 73 -6.843 0.760 5.267 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.302 -0.714 7.884 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.710 -2.015 8.479 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.675 -3.012 8.035 1.00 0.00 C ATOM 0 HA PRO A 73 -8.402 -1.081 5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.579 -0.197 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.155 -0.046 7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.751 -1.952 9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.704 -2.306 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.881 -3.123 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.109 -4.000 7.883 1.00 0.00 H new ATOM 1101 N MET A 74 -5.448 -0.173 6.748 1.00 0.00 N ATOM 1102 CA MET A 74 -4.362 0.739 6.427 1.00 0.00 C ATOM 1103 C MET A 74 -4.111 0.720 4.921 1.00 0.00 C ATOM 1104 O MET A 74 -3.942 1.756 4.278 1.00 0.00 O ATOM 1105 CB MET A 74 -3.103 0.360 7.227 1.00 0.00 C ATOM 1106 CG MET A 74 -1.786 0.509 6.475 1.00 0.00 C ATOM 1107 SD MET A 74 -0.428 1.012 7.550 1.00 0.00 S ATOM 1108 CE MET A 74 -0.746 2.768 7.698 1.00 0.00 C ATOM 0 H MET A 74 -5.229 -0.860 7.469 1.00 0.00 H new ATOM 0 HA MET A 74 -4.632 1.756 6.709 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.062 0.978 8.124 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.199 -0.674 7.557 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.535 -0.438 5.998 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.907 1.245 5.680 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.012 3.223 8.335 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.713 3.228 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.731 2.924 8.138 1.00 0.00 H new ATOM 1118 N SER A 75 -4.123 -0.467 4.355 1.00 0.00 N ATOM 1119 CA SER A 75 -3.931 -0.612 2.927 1.00 0.00 C ATOM 1120 C SER A 75 -5.200 -0.201 2.186 1.00 0.00 C ATOM 1121 O SER A 75 -5.137 0.310 1.069 1.00 0.00 O ATOM 1122 CB SER A 75 -3.565 -2.056 2.582 1.00 0.00 C ATOM 1123 OG SER A 75 -2.743 -2.628 3.585 1.00 0.00 O ATOM 0 H SER A 75 -4.263 -1.343 4.858 1.00 0.00 H new ATOM 0 HA SER A 75 -3.112 0.037 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.473 -2.648 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.047 -2.084 1.623 1.00 0.00 H new ATOM 0 HG SER A 75 -2.904 -3.594 3.629 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.355 -0.435 2.813 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.648 -0.106 2.211 1.00 0.00 C ATOM 1131 C LEU A 76 -7.622 1.250 1.513 1.00 0.00 C ATOM 1132 O LEU A 76 -8.123 1.387 0.400 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.755 -0.153 3.269 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.792 0.975 3.216 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -11.040 0.556 3.953 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.229 2.242 3.831 1.00 0.00 C ATOM 0 H LEU A 76 -6.421 -0.853 3.741 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.858 -0.856 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.279 -1.104 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.288 -0.143 4.254 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.039 1.175 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.774 1.361 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.455 -0.337 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.794 0.341 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.978 3.033 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.963 2.054 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.341 2.551 3.279 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.050 2.245 2.175 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.981 3.585 1.614 1.00 0.00 C ATOM 1150 C GLN A 77 -5.799 3.728 0.656 1.00 0.00 C ATOM 1151 O GLN A 77 -5.781 4.629 -0.182 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.941 4.647 2.729 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.562 5.214 3.047 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.113 4.867 4.447 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -5.188 3.587 4.779 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.703 5.733 5.219 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.628 2.150 3.099 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.887 3.752 1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.597 5.470 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.353 4.209 3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.838 4.829 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.581 6.298 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.663 6.707 4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.403 5.477 6.160 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.816 2.838 0.779 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.649 2.881 -0.090 1.00 0.00 C ATOM 1167 C TYR A 78 -3.923 2.178 -1.419 1.00 0.00 C ATOM 1168 O TYR A 78 -3.481 2.627 -2.475 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.452 2.210 0.585 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.834 3.016 1.703 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.608 3.490 2.752 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.472 3.287 1.717 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -2.044 4.214 3.784 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.100 4.009 2.746 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.690 4.470 3.777 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.124 5.191 4.805 1.00 0.00 O ATOM 0 H TYR A 78 -4.807 2.085 1.467 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.425 3.931 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.768 1.245 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.689 2.012 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.669 3.290 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.150 2.927 0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.661 4.578 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.161 4.211 2.743 1.00 0.00 H new ATOM 0 HH TYR A 78 0.839 5.282 4.649 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.627 1.053 -1.346 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.933 0.252 -2.534 1.00 0.00 C ATOM 1188 C LEU A 79 -6.252 0.636 -3.208 1.00 0.00 C ATOM 1189 O LEU A 79 -6.513 0.226 -4.334 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.878 -1.257 -2.223 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.922 -1.854 -1.257 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.278 -2.158 0.079 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.128 -0.951 -1.056 1.00 0.00 C ATOM 0 H LEU A 79 -4.999 0.672 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.151 0.481 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.959 -1.792 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.890 -1.475 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.286 -2.774 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.023 -2.579 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.469 -2.875 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.878 -1.239 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.827 -1.425 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.803 0.004 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.621 -0.783 -2.014 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.098 1.374 -2.497 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.427 1.763 -2.999 1.00 0.00 C ATOM 1207 C ILE A 80 -8.591 1.596 -4.514 1.00 0.00 C ATOM 1208 O ILE A 80 -7.853 2.169 -5.316 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.765 3.229 -2.650 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.901 4.192 -3.462 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.581 3.486 -1.171 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.419 3.976 -3.268 1.00 0.00 C ATOM 0 H ILE A 80 -6.891 1.722 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.112 1.079 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.811 3.401 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.142 4.081 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.151 5.216 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.825 4.525 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.240 2.829 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.545 3.289 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.864 4.693 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.165 4.115 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.156 2.963 -3.573 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.598 0.803 -4.864 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.954 0.518 -6.248 1.00 0.00 C ATOM 1226 C GLY A 81 -8.804 0.528 -7.243 1.00 0.00 C ATOM 1227 O GLY A 81 -9.000 0.892 -8.403 1.00 0.00 O ATOM 0 H GLY A 81 -10.197 0.334 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.434 -0.460 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.695 1.249 -6.571 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.617 0.113 -6.820 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.492 0.075 -7.740 1.00 0.00 C ATOM 1233 C GLY A 82 -6.452 -1.224 -8.527 1.00 0.00 C ATOM 1234 O GLY A 82 -7.493 -1.830 -8.779 1.00 0.00 O ATOM 0 H GLY A 82 -7.412 -0.195 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.558 0.916 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.562 0.192 -7.183 1.00 0.00 H new ATOM 1238 N THR A 83 -5.255 -1.660 -8.906 1.00 0.00 N ATOM 1239 CA THR A 83 -5.096 -2.905 -9.654 1.00 0.00 C ATOM 1240 C THR A 83 -3.745 -3.544 -9.336 1.00 0.00 C ATOM 1241 O THR A 83 -2.726 -2.859 -9.285 1.00 0.00 O ATOM 1242 CB THR A 83 -5.215 -2.649 -11.158 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.571 -2.465 -11.529 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.658 -3.774 -12.006 1.00 0.00 C ATOM 0 H THR A 83 -4.382 -1.172 -8.709 1.00 0.00 H new ATOM 0 HA THR A 83 -5.890 -3.589 -9.355 1.00 0.00 H new ATOM 0 HB THR A 83 -4.627 -1.751 -11.344 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.112 -2.315 -10.726 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.775 -3.527 -13.061 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.600 -3.910 -11.780 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.197 -4.696 -11.788 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.740 -4.857 -9.122 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.500 -5.563 -8.810 1.00 0.00 C ATOM 1254 C VAL A 84 -2.332 -6.817 -9.655 1.00 0.00 C ATOM 1255 O VAL A 84 -3.308 -7.423 -10.095 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.395 -5.946 -7.308 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.646 -5.563 -6.535 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.085 -7.426 -7.129 1.00 0.00 C ATOM 0 H VAL A 84 -4.570 -5.448 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.699 -4.862 -9.046 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.564 -5.373 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.530 -5.849 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.799 -4.486 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.508 -6.079 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.019 -7.658 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.878 -8.021 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.136 -7.660 -7.611 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.080 -7.212 -9.850 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.766 -8.411 -10.608 1.00 0.00 C ATOM 1270 C ASP A 85 0.543 -9.027 -10.127 1.00 0.00 C ATOM 1271 O ASP A 85 1.467 -8.316 -9.734 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.693 -8.104 -12.103 1.00 0.00 C ATOM 1273 CG ASP A 85 0.051 -6.815 -12.398 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.476 -5.736 -12.060 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.160 -6.888 -12.968 1.00 0.00 O ATOM 0 H ASP A 85 -0.264 -6.716 -9.491 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.566 -9.132 -10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.200 -8.930 -12.616 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.703 -8.036 -12.506 1.00 0.00 H new ATOM 1280 N TYR A 86 0.613 -10.352 -10.158 1.00 0.00 N ATOM 1281 CA TYR A 86 1.805 -11.063 -9.724 1.00 0.00 C ATOM 1282 C TYR A 86 2.408 -11.860 -10.873 1.00 0.00 C ATOM 1283 O TYR A 86 1.687 -12.410 -11.704 1.00 0.00 O ATOM 1284 CB TYR A 86 1.454 -12.000 -8.573 1.00 0.00 C ATOM 1285 CG TYR A 86 2.312 -11.818 -7.343 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.692 -11.927 -7.413 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.734 -11.545 -6.111 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.478 -11.770 -6.288 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.509 -11.385 -4.980 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.881 -11.499 -5.073 1.00 0.00 C ATOM 1291 OH TYR A 86 4.659 -11.340 -3.949 1.00 0.00 O ATOM 0 H TYR A 86 -0.144 -10.955 -10.480 1.00 0.00 H new ATOM 0 HA TYR A 86 2.541 -10.333 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.410 -11.847 -8.300 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.546 -13.030 -8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.161 -12.138 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.660 -11.456 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.552 -11.859 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.045 -11.172 -4.029 1.00 0.00 H new ATOM 0 HH TYR A 86 4.085 -11.153 -3.177 1.00 0.00 H new ATOM 1301 N THR A 87 3.730 -11.922 -10.907 1.00 0.00 N ATOM 1302 CA THR A 87 4.426 -12.661 -11.950 1.00 0.00 C ATOM 1303 C THR A 87 5.754 -13.208 -11.436 1.00 0.00 C ATOM 1304 O THR A 87 6.790 -12.554 -11.542 1.00 0.00 O ATOM 1305 CB THR A 87 4.662 -11.771 -13.170 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.433 -11.286 -13.681 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.381 -12.477 -14.296 1.00 0.00 C ATOM 0 H THR A 87 4.342 -11.471 -10.227 1.00 0.00 H new ATOM 0 HA THR A 87 3.797 -13.502 -12.244 1.00 0.00 H new ATOM 0 HB THR A 87 5.292 -10.955 -12.815 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.604 -10.717 -14.460 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.516 -11.788 -15.130 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.355 -12.820 -13.947 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.791 -13.333 -14.624 1.00 0.00 H new ATOM 1413 N PHE A 95 6.204 -8.361 -7.565 1.00 0.00 N ATOM 1414 CA PHE A 95 4.843 -7.892 -7.346 1.00 0.00 C ATOM 1415 C PHE A 95 4.686 -6.446 -7.802 1.00 0.00 C ATOM 1416 O PHE A 95 5.534 -5.601 -7.512 1.00 0.00 O ATOM 1417 CB PHE A 95 4.490 -8.013 -5.862 1.00 0.00 C ATOM 1418 CG PHE A 95 3.016 -7.980 -5.579 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.118 -8.619 -6.418 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.528 -7.309 -4.468 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.765 -8.592 -6.156 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.174 -7.278 -4.200 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.292 -7.920 -5.046 1.00 0.00 C ATOM 0 HA PHE A 95 4.164 -8.510 -7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.903 -8.945 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.972 -7.201 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.482 -9.145 -7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.215 -6.805 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.076 -9.096 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.806 -6.753 -3.331 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.768 -7.897 -4.840 1.00 0.00 H new ATOM 1433 N THR A 96 3.602 -6.158 -8.520 1.00 0.00 N ATOM 1434 CA THR A 96 3.362 -4.803 -9.005 1.00 0.00 C ATOM 1435 C THR A 96 1.887 -4.426 -8.929 1.00 0.00 C ATOM 1436 O THR A 96 1.034 -5.069 -9.541 1.00 0.00 O ATOM 1437 CB THR A 96 3.854 -4.652 -10.443 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.887 -5.580 -10.722 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.381 -3.267 -10.748 1.00 0.00 C ATOM 0 H THR A 96 2.885 -6.836 -8.776 1.00 0.00 H new ATOM 0 HA THR A 96 3.920 -4.127 -8.356 1.00 0.00 H new ATOM 0 HB THR A 96 2.982 -4.838 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.187 -5.467 -11.648 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.715 -3.225 -11.785 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.590 -2.534 -10.592 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.219 -3.043 -10.088 1.00 0.00 H new ATOM 1447 N VAL A 97 1.600 -3.366 -8.181 1.00 0.00 N ATOM 1448 CA VAL A 97 0.233 -2.876 -8.025 1.00 0.00 C ATOM 1449 C VAL A 97 0.117 -1.453 -8.566 1.00 0.00 C ATOM 1450 O VAL A 97 1.127 -0.798 -8.819 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.216 -2.895 -6.549 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.727 -2.830 -6.439 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.311 -4.131 -5.836 1.00 0.00 C ATOM 0 H VAL A 97 2.299 -2.827 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.417 -3.543 -8.591 1.00 0.00 H new ATOM 0 HB VAL A 97 0.202 -2.012 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.016 -2.845 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.086 -1.911 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.166 -3.688 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.019 -4.120 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.070 -5.025 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.400 -4.134 -5.870 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.111 -0.980 -8.750 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.329 0.366 -9.274 1.00 0.00 C ATOM 1465 C ASN A 98 -2.611 0.981 -8.721 1.00 0.00 C ATOM 1466 O ASN A 98 -3.678 0.368 -8.765 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.383 0.336 -10.802 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.258 -0.484 -11.403 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.920 -0.182 -11.207 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.614 -1.529 -12.143 1.00 0.00 N ATOM 0 H ASN A 98 -1.964 -1.502 -8.547 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.492 0.986 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.340 -0.076 -11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.331 1.355 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.100 -2.116 -12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.602 -1.744 -12.280 1.00 0.00 H new