USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 660 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 22 CYS SG : rot 13:sc= -5.39! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -7.56! C(o=-13!,f=-20!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.731 K(o=-0.73,f=-2.6!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 42:sc= -0.06! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -26:sc= 0.337 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.25! C(o=-2.3!,f=-4.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 66:sc= 1.22 USER MOD Single : A 89 SER OG : rot 180:sc= 0.441 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.797 -18.403 -12.977 1.00 0.00 N ATOM 2 CA GLY A 1 14.516 -18.825 -13.611 1.00 0.00 C ATOM 3 C GLY A 1 13.852 -19.892 -12.751 1.00 0.00 C ATOM 4 O GLY A 1 13.859 -21.074 -13.093 1.00 0.00 O ATOM 0 H1 GLY A 1 16.251 -17.674 -13.564 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.605 -18.016 -12.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.430 -19.224 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.853 -17.967 -13.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.704 -19.214 -14.612 1.00 0.00 H new ATOM 10 N HIS A 2 13.275 -19.469 -11.629 1.00 0.00 N ATOM 11 CA HIS A 2 12.604 -20.397 -10.720 1.00 0.00 C ATOM 12 C HIS A 2 11.399 -19.730 -10.066 1.00 0.00 C ATOM 13 O HIS A 2 10.901 -20.200 -9.043 1.00 0.00 O ATOM 14 CB HIS A 2 13.582 -20.867 -9.642 1.00 0.00 C ATOM 15 CG HIS A 2 14.083 -19.678 -8.868 1.00 0.00 C ATOM 16 ND1 HIS A 2 13.294 -19.011 -7.945 1.00 0.00 N ATOM 17 CD2 HIS A 2 15.293 -19.028 -8.868 1.00 0.00 C ATOM 18 CE1 HIS A 2 14.029 -18.008 -7.433 1.00 0.00 C ATOM 19 NE2 HIS A 2 15.256 -17.973 -7.961 1.00 0.00 N ATOM 0 H HIS A 2 13.258 -18.495 -11.328 1.00 0.00 H new ATOM 0 HA HIS A 2 12.258 -21.256 -11.295 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.090 -21.570 -8.971 1.00 0.00 H new ATOM 0 HB3 HIS A 2 14.418 -21.395 -10.100 1.00 0.00 H new ATOM 0 HD1 HIS A 2 12.331 -19.239 -7.699 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.143 -19.295 -9.478 1.00 0.00 H new ATOM 0 HE1 HIS A 2 13.671 -17.315 -6.686 1.00 0.00 H new ATOM 28 N MET A 3 10.940 -18.634 -10.660 1.00 0.00 N ATOM 29 CA MET A 3 9.793 -17.910 -10.123 1.00 0.00 C ATOM 30 C MET A 3 9.257 -16.917 -11.154 1.00 0.00 C ATOM 31 O MET A 3 8.921 -17.297 -12.275 1.00 0.00 O ATOM 32 CB MET A 3 10.199 -17.168 -8.843 1.00 0.00 C ATOM 33 CG MET A 3 8.941 -16.789 -8.051 1.00 0.00 C ATOM 34 SD MET A 3 9.393 -15.680 -6.696 1.00 0.00 S ATOM 35 CE MET A 3 9.714 -16.957 -5.459 1.00 0.00 C ATOM 0 H MET A 3 11.340 -18.230 -11.507 1.00 0.00 H new ATOM 0 HA MET A 3 9.006 -18.626 -9.889 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.848 -17.798 -8.235 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.767 -16.272 -9.094 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.218 -16.304 -8.707 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.462 -17.686 -7.657 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.015 -16.488 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.809 -17.543 -5.298 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.512 -17.611 -5.810 1.00 0.00 H new ATOM 45 N SER A 4 9.173 -15.646 -10.764 1.00 0.00 N ATOM 46 CA SER A 4 8.676 -14.610 -11.651 1.00 0.00 C ATOM 47 C SER A 4 7.351 -15.032 -12.271 1.00 0.00 C ATOM 48 O SER A 4 7.317 -15.558 -13.381 1.00 0.00 O ATOM 49 CB SER A 4 9.702 -14.341 -12.752 1.00 0.00 C ATOM 50 OG SER A 4 10.217 -15.578 -13.227 1.00 0.00 O ATOM 0 H SER A 4 9.444 -15.315 -9.838 1.00 0.00 H new ATOM 0 HA SER A 4 8.516 -13.699 -11.074 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.239 -13.789 -13.570 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.511 -13.721 -12.367 1.00 0.00 H new ATOM 0 HG SER A 4 9.485 -16.224 -13.317 1.00 0.00 H new ATOM 56 N ASP A 5 6.263 -14.790 -11.549 1.00 0.00 N ATOM 57 CA ASP A 5 4.942 -15.149 -12.046 1.00 0.00 C ATOM 58 C ASP A 5 3.866 -14.634 -11.114 1.00 0.00 C ATOM 59 O ASP A 5 2.819 -14.182 -11.577 1.00 0.00 O ATOM 60 CB ASP A 5 4.819 -16.663 -12.175 1.00 0.00 C ATOM 61 CG ASP A 5 3.426 -17.036 -12.672 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.126 -16.734 -13.816 1.00 0.00 O ATOM 63 OD2 ASP A 5 2.678 -17.616 -11.902 1.00 0.00 O ATOM 0 H ASP A 5 6.269 -14.352 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 5 4.812 -14.692 -13.027 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.573 -17.039 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.008 -17.134 -11.210 1.00 0.00 H new ATOM 68 N LEU A 6 4.123 -14.717 -9.803 1.00 0.00 N ATOM 69 CA LEU A 6 3.161 -14.258 -8.798 1.00 0.00 C ATOM 70 C LEU A 6 2.280 -13.140 -9.358 1.00 0.00 C ATOM 71 O LEU A 6 2.776 -12.186 -9.955 1.00 0.00 O ATOM 72 CB LEU A 6 3.917 -13.749 -7.563 1.00 0.00 C ATOM 73 CG LEU A 6 4.603 -12.402 -7.897 1.00 0.00 C ATOM 74 CD1 LEU A 6 3.634 -11.215 -7.624 1.00 0.00 C ATOM 75 CD2 LEU A 6 5.867 -12.250 -7.045 1.00 0.00 C ATOM 0 H LEU A 6 4.987 -15.097 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 6 2.520 -15.095 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.228 -13.621 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.662 -14.481 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 6 4.871 -12.393 -8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.132 -10.276 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.744 -11.322 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.346 -11.215 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.352 -11.302 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.598 -12.269 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.552 -13.070 -7.260 1.00 0.00 H new ATOM 87 N SER A 7 0.974 -13.269 -9.174 1.00 0.00 N ATOM 88 CA SER A 7 0.034 -12.269 -9.671 1.00 0.00 C ATOM 89 C SER A 7 -1.170 -12.182 -8.753 1.00 0.00 C ATOM 90 O SER A 7 -1.285 -11.245 -7.963 1.00 0.00 O ATOM 91 CB SER A 7 -0.406 -12.627 -11.087 1.00 0.00 C ATOM 92 OG SER A 7 -0.897 -11.459 -11.736 1.00 0.00 O ATOM 0 H SER A 7 0.540 -14.053 -8.686 1.00 0.00 H new ATOM 0 HA SER A 7 0.528 -11.297 -9.691 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.432 -13.043 -11.646 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.181 -13.393 -11.057 1.00 0.00 H new ATOM 0 HG SER A 7 -1.179 -11.685 -12.647 1.00 0.00 H new ATOM 98 N THR A 8 -2.065 -13.164 -8.854 1.00 0.00 N ATOM 99 CA THR A 8 -3.254 -13.190 -8.022 1.00 0.00 C ATOM 100 C THR A 8 -2.927 -13.793 -6.663 1.00 0.00 C ATOM 101 O THR A 8 -3.821 -14.128 -5.890 1.00 0.00 O ATOM 102 CB THR A 8 -4.343 -14.026 -8.695 1.00 0.00 C ATOM 103 OG1 THR A 8 -3.779 -15.241 -9.171 1.00 0.00 O ATOM 104 CG2 THR A 8 -4.945 -13.247 -9.864 1.00 0.00 C ATOM 0 H THR A 8 -1.985 -13.947 -9.503 1.00 0.00 H new ATOM 0 HA THR A 8 -3.609 -12.168 -7.889 1.00 0.00 H new ATOM 0 HB THR A 8 -5.128 -14.247 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.476 -15.779 -9.601 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.720 -13.847 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.380 -12.318 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.165 -13.020 -10.590 1.00 0.00 H new ATOM 112 N ALA A 9 -1.637 -13.903 -6.372 1.00 0.00 N ATOM 113 CA ALA A 9 -1.196 -14.444 -5.087 1.00 0.00 C ATOM 114 C ALA A 9 0.210 -13.952 -4.752 1.00 0.00 C ATOM 115 O ALA A 9 1.136 -14.746 -4.587 1.00 0.00 O ATOM 116 CB ALA A 9 -1.207 -15.962 -5.137 1.00 0.00 C ATOM 0 H ALA A 9 -0.882 -13.628 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.881 -14.100 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.878 -16.360 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.218 -16.312 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.534 -16.305 -5.922 1.00 0.00 H new ATOM 122 N PRO A 10 0.379 -12.662 -4.643 1.00 0.00 N ATOM 123 CA PRO A 10 1.702 -12.046 -4.318 1.00 0.00 C ATOM 124 C PRO A 10 2.295 -12.603 -3.031 1.00 0.00 C ATOM 125 O PRO A 10 1.702 -13.469 -2.393 1.00 0.00 O ATOM 126 CB PRO A 10 1.386 -10.549 -4.178 1.00 0.00 C ATOM 127 CG PRO A 10 0.118 -10.341 -4.935 1.00 0.00 C ATOM 128 CD PRO A 10 -0.667 -11.642 -4.810 1.00 0.00 C ATOM 0 HA PRO A 10 2.449 -12.255 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.270 -10.268 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.191 -9.937 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.447 -9.504 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.322 -10.108 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.346 -11.620 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.274 -11.831 -5.696 1.00 0.00 H new ATOM 136 N THR A 11 3.465 -12.087 -2.645 1.00 0.00 N ATOM 137 CA THR A 11 4.135 -12.531 -1.420 1.00 0.00 C ATOM 138 C THR A 11 4.204 -11.392 -0.412 1.00 0.00 C ATOM 139 O THR A 11 4.149 -10.225 -0.774 1.00 0.00 O ATOM 140 CB THR A 11 5.543 -13.020 -1.746 1.00 0.00 C ATOM 141 OG1 THR A 11 5.469 -14.039 -2.734 1.00 0.00 O ATOM 142 CG2 THR A 11 6.188 -13.578 -0.480 1.00 0.00 C ATOM 0 H THR A 11 3.966 -11.364 -3.161 1.00 0.00 H new ATOM 0 HA THR A 11 3.562 -13.350 -0.985 1.00 0.00 H new ATOM 0 HB THR A 11 6.143 -12.192 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.372 -14.354 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.194 -13.929 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.240 -12.796 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.591 -14.409 -0.103 1.00 0.00 H new ATOM 150 N LEU A 12 4.310 -11.742 0.858 1.00 0.00 N ATOM 151 CA LEU A 12 4.353 -10.731 1.908 1.00 0.00 C ATOM 152 C LEU A 12 5.417 -9.681 1.610 1.00 0.00 C ATOM 153 O LEU A 12 5.150 -8.481 1.695 1.00 0.00 O ATOM 154 CB LEU A 12 4.681 -11.406 3.255 1.00 0.00 C ATOM 155 CG LEU A 12 3.431 -12.095 3.804 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.040 -13.259 2.882 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.718 -12.632 5.209 1.00 0.00 C ATOM 0 H LEU A 12 4.367 -12.705 1.188 1.00 0.00 H new ATOM 0 HA LEU A 12 3.380 -10.243 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.481 -12.134 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.041 -10.663 3.967 1.00 0.00 H new ATOM 0 HG LEU A 12 2.612 -11.377 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.149 -13.750 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.834 -12.878 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.859 -13.977 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.827 -13.123 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.537 -13.349 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.994 -11.806 5.865 1.00 0.00 H new ATOM 169 N ASP A 13 6.614 -10.134 1.273 1.00 0.00 N ATOM 170 CA ASP A 13 7.701 -9.219 0.973 1.00 0.00 C ATOM 171 C ASP A 13 7.419 -8.439 -0.300 1.00 0.00 C ATOM 172 O ASP A 13 7.736 -7.259 -0.381 1.00 0.00 O ATOM 173 CB ASP A 13 9.010 -9.987 0.799 1.00 0.00 C ATOM 174 CG ASP A 13 9.098 -11.101 1.847 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.955 -10.798 3.020 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.299 -12.243 1.458 1.00 0.00 O ATOM 0 H ASP A 13 6.856 -11.122 1.201 1.00 0.00 H new ATOM 0 HA ASP A 13 7.788 -8.524 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.063 -10.412 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.857 -9.309 0.903 1.00 0.00 H new ATOM 181 N SER A 14 6.823 -9.105 -1.294 1.00 0.00 N ATOM 182 CA SER A 14 6.511 -8.459 -2.562 1.00 0.00 C ATOM 183 C SER A 14 5.478 -7.357 -2.363 1.00 0.00 C ATOM 184 O SER A 14 5.549 -6.284 -2.984 1.00 0.00 O ATOM 185 CB SER A 14 5.998 -9.485 -3.550 1.00 0.00 C ATOM 186 OG SER A 14 4.790 -10.050 -3.057 1.00 0.00 O ATOM 0 H SER A 14 6.550 -10.086 -1.241 1.00 0.00 H new ATOM 0 HA SER A 14 7.421 -8.008 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.825 -9.018 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.743 -10.266 -3.700 1.00 0.00 H new ATOM 0 HG SER A 14 4.772 -9.982 -2.080 1.00 0.00 H new ATOM 192 N LEU A 15 4.501 -7.618 -1.506 1.00 0.00 N ATOM 193 CA LEU A 15 3.476 -6.631 -1.243 1.00 0.00 C ATOM 194 C LEU A 15 4.064 -5.498 -0.403 1.00 0.00 C ATOM 195 O LEU A 15 4.198 -4.368 -0.860 1.00 0.00 O ATOM 196 CB LEU A 15 2.308 -7.275 -0.482 1.00 0.00 C ATOM 197 CG LEU A 15 1.713 -8.385 -1.345 1.00 0.00 C ATOM 198 CD1 LEU A 15 0.748 -9.219 -0.499 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.973 -7.784 -2.562 1.00 0.00 C ATOM 0 H LEU A 15 4.401 -8.492 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 15 3.111 -6.236 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.654 -7.680 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.549 -6.527 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 15 2.516 -9.022 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.321 -10.013 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.287 -9.658 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.051 -8.580 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.555 -8.588 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.169 -7.135 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.673 -7.204 -3.163 1.00 0.00 H new ATOM 211 N ARG A 16 4.397 -5.805 0.840 1.00 0.00 N ATOM 212 CA ARG A 16 4.932 -4.788 1.747 1.00 0.00 C ATOM 213 C ARG A 16 5.830 -3.803 0.981 1.00 0.00 C ATOM 214 O ARG A 16 5.636 -2.572 1.052 1.00 0.00 O ATOM 215 CB ARG A 16 5.757 -5.478 2.833 1.00 0.00 C ATOM 216 CG ARG A 16 6.449 -4.412 3.725 1.00 0.00 C ATOM 217 CD ARG A 16 7.916 -4.237 3.306 1.00 0.00 C ATOM 218 NE ARG A 16 8.627 -3.457 4.296 1.00 0.00 N ATOM 219 CZ ARG A 16 9.788 -2.888 4.005 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.301 -3.024 2.811 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.416 -2.193 4.910 1.00 0.00 N ATOM 0 H ARG A 16 4.310 -6.737 1.246 1.00 0.00 H new ATOM 0 HA ARG A 16 4.104 -4.236 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.114 -6.113 3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.506 -6.126 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.924 -3.461 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.396 -4.713 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.389 -5.213 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.969 -3.743 2.336 1.00 0.00 H new ATOM 0 HE ARG A 16 8.230 -3.344 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.808 -3.568 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.195 -2.586 2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.014 -2.087 5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.310 -1.755 4.687 1.00 0.00 H new ATOM 235 N VAL A 17 6.791 -4.348 0.238 1.00 0.00 N ATOM 236 CA VAL A 17 7.698 -3.513 -0.543 1.00 0.00 C ATOM 237 C VAL A 17 6.916 -2.685 -1.557 1.00 0.00 C ATOM 238 O VAL A 17 7.260 -1.535 -1.827 1.00 0.00 O ATOM 239 CB VAL A 17 8.721 -4.392 -1.274 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.477 -5.270 -0.250 1.00 0.00 C ATOM 241 CG2 VAL A 17 7.990 -5.280 -2.266 1.00 0.00 C ATOM 0 H VAL A 17 6.960 -5.351 0.161 1.00 0.00 H new ATOM 0 HA VAL A 17 8.221 -2.839 0.136 1.00 0.00 H new ATOM 0 HB VAL A 17 9.437 -3.762 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.203 -5.894 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.995 -4.631 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.767 -5.905 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.710 -5.909 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.278 -5.910 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.458 -4.659 -2.987 1.00 0.00 H new ATOM 251 N TRP A 18 5.862 -3.274 -2.119 1.00 0.00 N ATOM 252 CA TRP A 18 5.047 -2.560 -3.092 1.00 0.00 C ATOM 253 C TRP A 18 4.443 -1.304 -2.462 1.00 0.00 C ATOM 254 O TRP A 18 4.498 -0.222 -3.035 1.00 0.00 O ATOM 255 CB TRP A 18 3.926 -3.495 -3.610 1.00 0.00 C ATOM 256 CG TRP A 18 2.577 -3.027 -3.120 1.00 0.00 C ATOM 257 CD1 TRP A 18 1.866 -3.564 -2.102 1.00 0.00 C ATOM 258 CD2 TRP A 18 1.801 -1.894 -3.582 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.722 -2.866 -1.924 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.625 -1.820 -2.803 1.00 0.00 C ATOM 261 CE3 TRP A 18 1.985 -0.926 -4.589 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.324 -0.839 -3.012 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.029 0.063 -4.797 1.00 0.00 C ATOM 264 CH2 TRP A 18 -0.124 0.102 -4.001 1.00 0.00 C ATOM 0 H TRP A 18 5.558 -4.227 -1.920 1.00 0.00 H new ATOM 0 HA TRP A 18 5.675 -2.254 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.936 -3.515 -4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.109 -4.514 -3.270 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.167 -4.422 -1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.018 -3.091 -1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.873 -0.952 -5.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.217 -0.809 -2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.175 0.801 -5.572 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.861 0.874 -4.163 1.00 0.00 H new ATOM 275 N LEU A 19 3.840 -1.471 -1.294 1.00 0.00 N ATOM 276 CA LEU A 19 3.210 -0.344 -0.624 1.00 0.00 C ATOM 277 C LEU A 19 4.194 0.788 -0.429 1.00 0.00 C ATOM 278 O LEU A 19 3.992 1.894 -0.945 1.00 0.00 O ATOM 279 CB LEU A 19 2.683 -0.810 0.755 1.00 0.00 C ATOM 280 CG LEU A 19 1.154 -1.054 0.712 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.794 -2.281 1.529 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.421 0.185 1.254 1.00 0.00 C ATOM 0 H LEU A 19 3.774 -2.360 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 19 2.388 0.018 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.193 -1.726 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.914 -0.058 1.509 1.00 0.00 H new ATOM 0 HG LEU A 19 0.847 -1.227 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.284 -2.441 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.305 -3.153 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.102 -2.132 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.655 0.013 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.730 0.370 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.668 1.051 0.640 1.00 0.00 H new ATOM 294 N VAL A 20 5.250 0.527 0.331 1.00 0.00 N ATOM 295 CA VAL A 20 6.235 1.564 0.585 1.00 0.00 C ATOM 296 C VAL A 20 6.843 2.066 -0.716 1.00 0.00 C ATOM 297 O VAL A 20 6.917 3.273 -0.952 1.00 0.00 O ATOM 298 CB VAL A 20 7.339 1.003 1.490 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.977 -0.221 0.822 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.406 2.073 1.722 1.00 0.00 C ATOM 0 H VAL A 20 5.442 -0.372 0.772 1.00 0.00 H new ATOM 0 HA VAL A 20 5.742 2.402 1.077 1.00 0.00 H new ATOM 0 HB VAL A 20 6.907 0.710 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.761 -0.619 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.217 -0.985 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.407 0.070 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.189 1.672 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.838 2.370 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.953 2.941 2.200 1.00 0.00 H new ATOM 310 N ASP A 21 7.288 1.137 -1.553 1.00 0.00 N ATOM 311 CA ASP A 21 7.907 1.508 -2.818 1.00 0.00 C ATOM 312 C ASP A 21 6.967 2.387 -3.634 1.00 0.00 C ATOM 313 O ASP A 21 7.406 3.300 -4.339 1.00 0.00 O ATOM 314 CB ASP A 21 8.245 0.244 -3.616 1.00 0.00 C ATOM 315 CG ASP A 21 8.887 0.621 -4.945 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.190 1.789 -5.123 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.062 -0.263 -5.768 1.00 0.00 O ATOM 0 H ASP A 21 7.233 0.133 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 21 8.820 2.066 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.923 -0.388 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.340 -0.337 -3.792 1.00 0.00 H new ATOM 322 N CYS A 22 5.672 2.112 -3.528 1.00 0.00 N ATOM 323 CA CYS A 22 4.678 2.888 -4.259 1.00 0.00 C ATOM 324 C CYS A 22 4.720 4.346 -3.832 1.00 0.00 C ATOM 325 O CYS A 22 4.747 5.248 -4.675 1.00 0.00 O ATOM 326 CB CYS A 22 3.282 2.328 -4.003 1.00 0.00 C ATOM 327 SG CYS A 22 2.070 3.243 -4.978 1.00 0.00 S ATOM 0 H CYS A 22 5.289 1.365 -2.949 1.00 0.00 H new ATOM 0 HA CYS A 22 4.908 2.821 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.250 1.271 -4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.040 2.401 -2.943 1.00 0.00 H new ATOM 0 HG CYS A 22 2.684 3.965 -5.867 1.00 0.00 H new ATOM 333 N VAL A 23 4.726 4.576 -2.520 1.00 0.00 N ATOM 334 CA VAL A 23 4.762 5.947 -2.016 1.00 0.00 C ATOM 335 C VAL A 23 6.059 6.638 -2.442 1.00 0.00 C ATOM 336 O VAL A 23 6.031 7.737 -2.996 1.00 0.00 O ATOM 337 CB VAL A 23 4.676 5.935 -0.496 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.512 7.367 0.036 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.478 5.092 -0.054 1.00 0.00 C ATOM 0 H VAL A 23 4.707 3.851 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 23 3.915 6.494 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 23 5.595 5.506 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.452 7.346 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.368 7.969 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.599 7.804 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.419 5.086 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.562 5.518 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.598 4.071 -0.417 1.00 0.00 H new ATOM 349 N ALA A 24 7.195 5.995 -2.172 1.00 0.00 N ATOM 350 CA ALA A 24 8.486 6.565 -2.526 1.00 0.00 C ATOM 351 C ALA A 24 8.460 7.087 -3.952 1.00 0.00 C ATOM 352 O ALA A 24 8.796 8.233 -4.203 1.00 0.00 O ATOM 353 CB ALA A 24 9.575 5.502 -2.395 1.00 0.00 C ATOM 0 H ALA A 24 7.244 5.086 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 24 8.699 7.392 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.539 5.934 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.610 5.142 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.354 4.670 -3.063 1.00 0.00 H new ATOM 359 N GLY A 25 8.070 6.232 -4.885 1.00 0.00 N ATOM 360 CA GLY A 25 8.011 6.633 -6.287 1.00 0.00 C ATOM 361 C GLY A 25 7.025 7.777 -6.496 1.00 0.00 C ATOM 362 O GLY A 25 7.313 8.734 -7.214 1.00 0.00 O ATOM 0 H GLY A 25 7.792 5.267 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.002 6.939 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.717 5.780 -6.899 1.00 0.00 H new ATOM 366 N HIS A 26 5.855 7.664 -5.875 1.00 0.00 N ATOM 367 CA HIS A 26 4.838 8.694 -6.016 1.00 0.00 C ATOM 368 C HIS A 26 5.370 10.058 -5.604 1.00 0.00 C ATOM 369 O HIS A 26 5.286 11.014 -6.377 1.00 0.00 O ATOM 370 CB HIS A 26 3.624 8.350 -5.134 1.00 0.00 C ATOM 371 CG HIS A 26 2.803 7.282 -5.795 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.646 7.222 -7.170 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.078 6.233 -5.288 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.855 6.170 -7.443 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.481 5.533 -6.333 1.00 0.00 N ATOM 0 H HIS A 26 5.592 6.880 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 26 4.547 8.733 -7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.959 8.010 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.017 9.240 -4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.985 5.988 -4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.559 5.877 -8.439 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.885 4.708 -6.264 1.00 0.00 H new ATOM 384 N LEU A 27 5.923 10.151 -4.394 1.00 0.00 N ATOM 385 CA LEU A 27 6.461 11.421 -3.918 1.00 0.00 C ATOM 386 C LEU A 27 7.868 11.647 -4.446 1.00 0.00 C ATOM 387 O LEU A 27 8.255 12.775 -4.744 1.00 0.00 O ATOM 388 CB LEU A 27 6.475 11.416 -2.388 1.00 0.00 C ATOM 389 CG LEU A 27 5.081 11.048 -1.867 1.00 0.00 C ATOM 390 CD1 LEU A 27 5.098 11.030 -0.335 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.055 12.080 -2.356 1.00 0.00 C ATOM 0 H LEU A 27 6.009 9.375 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 27 5.829 12.231 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.212 10.701 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.768 12.396 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 27 4.805 10.062 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.107 10.768 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.822 10.293 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.377 12.016 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.066 11.814 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.329 13.068 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.041 12.091 -3.446 1.00 0.00 H new ATOM 403 N GLY A 28 8.632 10.574 -4.563 1.00 0.00 N ATOM 404 CA GLY A 28 10.011 10.652 -5.049 1.00 0.00 C ATOM 405 C GLY A 28 11.016 10.627 -3.899 1.00 0.00 C ATOM 406 O GLY A 28 12.227 10.619 -4.125 1.00 0.00 O ATOM 0 H GLY A 28 8.324 9.631 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.207 9.818 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.142 11.566 -5.627 1.00 0.00 H new ATOM 410 N LEU A 29 10.513 10.620 -2.673 1.00 0.00 N ATOM 411 CA LEU A 29 11.371 10.601 -1.492 1.00 0.00 C ATOM 412 C LEU A 29 12.051 9.244 -1.361 1.00 0.00 C ATOM 413 O LEU A 29 11.906 8.384 -2.230 1.00 0.00 O ATOM 414 CB LEU A 29 10.555 10.890 -0.236 1.00 0.00 C ATOM 415 CG LEU A 29 9.697 12.138 -0.459 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.885 12.429 0.804 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.598 13.339 -0.778 1.00 0.00 C ATOM 0 H LEU A 29 9.514 10.627 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 29 12.131 11.374 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.920 10.037 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.219 11.040 0.615 1.00 0.00 H new ATOM 0 HG LEU A 29 9.021 11.965 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.273 13.317 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.240 11.579 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.562 12.598 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.982 14.224 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.279 13.514 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.174 13.132 -1.680 1.00 0.00 H new ATOM 429 N ASP A 30 12.799 9.062 -0.279 1.00 0.00 N ATOM 430 CA ASP A 30 13.498 7.802 -0.045 1.00 0.00 C ATOM 431 C ASP A 30 12.581 6.799 0.651 1.00 0.00 C ATOM 432 O ASP A 30 11.906 7.134 1.621 1.00 0.00 O ATOM 433 CB ASP A 30 14.738 8.049 0.812 1.00 0.00 C ATOM 434 CG ASP A 30 15.811 8.750 -0.011 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.704 8.736 -1.226 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.719 9.303 0.587 1.00 0.00 O ATOM 0 H ASP A 30 12.937 9.765 0.447 1.00 0.00 H new ATOM 0 HA ASP A 30 13.799 7.389 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.476 8.658 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.121 7.102 1.193 1.00 0.00 H new ATOM 441 N ALA A 31 12.559 5.572 0.135 1.00 0.00 N ATOM 442 CA ALA A 31 11.722 4.529 0.707 1.00 0.00 C ATOM 443 C ALA A 31 12.073 4.263 2.165 1.00 0.00 C ATOM 444 O ALA A 31 11.188 3.988 2.989 1.00 0.00 O ATOM 445 CB ALA A 31 11.888 3.233 -0.083 1.00 0.00 C ATOM 0 H ALA A 31 13.109 5.280 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 31 10.690 4.875 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.257 2.458 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.595 3.399 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.930 2.916 -0.047 1.00 0.00 H new ATOM 451 N ALA A 32 13.356 4.372 2.489 1.00 0.00 N ATOM 452 CA ALA A 32 13.815 4.131 3.847 1.00 0.00 C ATOM 453 C ALA A 32 13.276 5.166 4.815 1.00 0.00 C ATOM 454 O ALA A 32 13.324 4.970 6.030 1.00 0.00 O ATOM 455 CB ALA A 32 15.345 4.135 3.883 1.00 0.00 C ATOM 0 H ALA A 32 14.093 4.625 1.831 1.00 0.00 H new ATOM 0 HA ALA A 32 13.439 3.157 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.685 3.954 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.726 3.351 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.714 5.103 3.544 1.00 0.00 H new ATOM 461 N THR A 33 12.779 6.274 4.280 1.00 0.00 N ATOM 462 CA THR A 33 12.238 7.347 5.110 1.00 0.00 C ATOM 463 C THR A 33 10.880 7.781 4.598 1.00 0.00 C ATOM 464 O THR A 33 10.539 8.967 4.635 1.00 0.00 O ATOM 465 CB THR A 33 13.199 8.534 5.118 1.00 0.00 C ATOM 466 OG1 THR A 33 13.666 8.765 3.801 1.00 0.00 O ATOM 467 CG2 THR A 33 14.389 8.229 6.035 1.00 0.00 C ATOM 0 H THR A 33 12.739 6.455 3.277 1.00 0.00 H new ATOM 0 HA THR A 33 12.121 6.975 6.128 1.00 0.00 H new ATOM 0 HB THR A 33 12.680 9.419 5.485 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.282 9.527 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.073 9.078 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.030 8.048 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.911 7.344 5.671 1.00 0.00 H new ATOM 475 N ILE A 34 10.089 6.817 4.133 1.00 0.00 N ATOM 476 CA ILE A 34 8.757 7.142 3.649 1.00 0.00 C ATOM 477 C ILE A 34 7.801 7.346 4.824 1.00 0.00 C ATOM 478 O ILE A 34 7.388 8.471 5.110 1.00 0.00 O ATOM 479 CB ILE A 34 8.254 6.005 2.730 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.635 6.322 1.277 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.721 5.847 2.810 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.815 7.512 0.745 1.00 0.00 C ATOM 0 H ILE A 34 10.341 5.830 4.083 1.00 0.00 H new ATOM 0 HA ILE A 34 8.796 8.070 3.079 1.00 0.00 H new ATOM 0 HB ILE A 34 8.718 5.076 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.699 6.552 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.462 5.446 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.404 5.039 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.432 5.614 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.243 6.776 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.101 7.719 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.753 7.269 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.009 8.391 1.359 1.00 0.00 H new ATOM 494 N ALA A 35 7.409 6.244 5.445 1.00 0.00 N ATOM 495 CA ALA A 35 6.464 6.292 6.542 1.00 0.00 C ATOM 496 C ALA A 35 5.936 4.902 6.854 1.00 0.00 C ATOM 497 O ALA A 35 4.850 4.773 7.381 1.00 0.00 O ATOM 498 CB ALA A 35 5.292 7.242 6.204 1.00 0.00 C ATOM 0 H ALA A 35 7.733 5.307 5.205 1.00 0.00 H new ATOM 0 HA ALA A 35 6.982 6.673 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.591 7.267 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.677 8.246 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.780 6.885 5.311 1.00 0.00 H new ATOM 504 N THR A 36 6.682 3.870 6.487 1.00 0.00 N ATOM 505 CA THR A 36 6.241 2.500 6.728 1.00 0.00 C ATOM 506 C THR A 36 5.545 2.386 8.076 1.00 0.00 C ATOM 507 O THR A 36 4.530 1.696 8.188 1.00 0.00 O ATOM 508 CB THR A 36 7.465 1.576 6.739 1.00 0.00 C ATOM 509 OG1 THR A 36 8.130 1.704 7.995 1.00 0.00 O ATOM 510 CG2 THR A 36 8.423 1.979 5.619 1.00 0.00 C ATOM 0 H THR A 36 7.588 3.951 6.025 1.00 0.00 H new ATOM 0 HA THR A 36 5.544 2.217 5.939 1.00 0.00 H new ATOM 0 HB THR A 36 7.147 0.544 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.913 1.115 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.292 1.321 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.915 1.895 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.746 3.009 5.770 1.00 0.00 H new ATOM 518 N ASP A 37 6.067 3.075 9.092 1.00 0.00 N ATOM 519 CA ASP A 37 5.469 3.043 10.419 1.00 0.00 C ATOM 520 C ASP A 37 4.687 4.317 10.697 1.00 0.00 C ATOM 521 O ASP A 37 4.455 4.673 11.848 1.00 0.00 O ATOM 522 CB ASP A 37 6.573 2.884 11.464 1.00 0.00 C ATOM 523 CG ASP A 37 5.956 2.680 12.839 1.00 0.00 C ATOM 524 OD1 ASP A 37 5.213 1.728 12.998 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.240 3.479 13.719 1.00 0.00 O ATOM 0 H ASP A 37 6.900 3.659 9.018 1.00 0.00 H new ATOM 0 HA ASP A 37 4.779 2.200 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.207 2.034 11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.211 3.768 11.469 1.00 0.00 H new ATOM 530 N LEU A 38 4.274 5.000 9.636 1.00 0.00 N ATOM 531 CA LEU A 38 3.509 6.232 9.772 1.00 0.00 C ATOM 532 C LEU A 38 2.375 6.279 8.749 1.00 0.00 C ATOM 533 O LEU A 38 2.487 5.717 7.657 1.00 0.00 O ATOM 534 CB LEU A 38 4.426 7.451 9.584 1.00 0.00 C ATOM 535 CG LEU A 38 5.175 7.744 10.894 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.474 8.483 10.584 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.300 8.605 11.808 1.00 0.00 C ATOM 0 H LEU A 38 4.456 4.721 8.672 1.00 0.00 H new ATOM 0 HA LEU A 38 3.079 6.257 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.139 7.262 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.837 8.319 9.289 1.00 0.00 H new ATOM 0 HG LEU A 38 5.403 6.804 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.005 8.691 11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.099 7.865 9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.247 9.421 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.835 8.810 12.735 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.066 9.545 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.375 8.074 12.032 1.00 0.00 H new ATOM 549 N PRO A 39 1.299 6.945 9.078 1.00 0.00 N ATOM 550 CA PRO A 39 0.122 7.073 8.176 1.00 0.00 C ATOM 551 C PRO A 39 0.443 7.912 6.937 1.00 0.00 C ATOM 552 O PRO A 39 1.534 8.461 6.809 1.00 0.00 O ATOM 553 CB PRO A 39 -0.943 7.750 9.056 1.00 0.00 C ATOM 554 CG PRO A 39 -0.172 8.477 10.107 1.00 0.00 C ATOM 555 CD PRO A 39 1.078 7.652 10.353 1.00 0.00 C ATOM 0 HA PRO A 39 -0.207 6.111 7.783 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.559 8.435 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.615 7.015 9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.084 9.484 9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.758 8.580 11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.928 8.284 10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.938 6.953 11.178 1.00 0.00 H new ATOM 563 N LEU A 40 -0.527 8.012 6.043 1.00 0.00 N ATOM 564 CA LEU A 40 -0.355 8.793 4.830 1.00 0.00 C ATOM 565 C LEU A 40 -0.391 10.285 5.134 1.00 0.00 C ATOM 566 O LEU A 40 0.120 11.100 4.366 1.00 0.00 O ATOM 567 CB LEU A 40 -1.465 8.452 3.830 1.00 0.00 C ATOM 568 CG LEU A 40 -2.855 8.568 4.514 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.462 9.942 4.234 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.783 7.488 3.972 1.00 0.00 C ATOM 0 H LEU A 40 -1.439 7.564 6.134 1.00 0.00 H new ATOM 0 HA LEU A 40 0.617 8.547 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.414 9.126 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.323 7.441 3.448 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.732 8.441 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.436 10.015 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.804 10.717 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.580 10.076 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.758 7.571 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.898 7.614 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.358 6.506 4.179 1.00 0.00 H new ATOM 582 N THR A 41 -1.009 10.644 6.257 1.00 0.00 N ATOM 583 CA THR A 41 -1.116 12.044 6.641 1.00 0.00 C ATOM 584 C THR A 41 0.246 12.708 6.605 1.00 0.00 C ATOM 585 O THR A 41 0.350 13.868 6.235 1.00 0.00 O ATOM 586 CB THR A 41 -1.705 12.159 8.049 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.915 11.402 8.950 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.139 11.631 8.050 1.00 0.00 C ATOM 0 H THR A 41 -1.439 9.989 6.910 1.00 0.00 H new ATOM 0 HA THR A 41 -1.774 12.547 5.932 1.00 0.00 H new ATOM 0 HB THR A 41 -1.709 13.204 8.359 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.288 11.475 9.853 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.556 11.714 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.743 12.216 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.142 10.586 7.741 1.00 0.00 H new ATOM 596 N SER A 42 1.284 11.985 7.018 1.00 0.00 N ATOM 597 CA SER A 42 2.628 12.533 7.033 1.00 0.00 C ATOM 598 C SER A 42 2.929 13.264 5.728 1.00 0.00 C ATOM 599 O SER A 42 3.686 14.234 5.715 1.00 0.00 O ATOM 600 CB SER A 42 3.643 11.399 7.225 1.00 0.00 C ATOM 601 OG SER A 42 4.951 11.948 7.276 1.00 0.00 O ATOM 0 H SER A 42 1.216 11.021 7.345 1.00 0.00 H new ATOM 0 HA SER A 42 2.703 13.243 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.428 10.854 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.567 10.684 6.406 1.00 0.00 H new ATOM 0 HG SER A 42 5.604 11.227 7.400 1.00 0.00 H new ATOM 607 N TYR A 43 2.330 12.802 4.637 1.00 0.00 N ATOM 608 CA TYR A 43 2.546 13.425 3.335 1.00 0.00 C ATOM 609 C TYR A 43 1.811 14.749 3.237 1.00 0.00 C ATOM 610 O TYR A 43 1.994 15.495 2.279 1.00 0.00 O ATOM 611 CB TYR A 43 2.056 12.479 2.232 1.00 0.00 C ATOM 612 CG TYR A 43 2.551 11.073 2.495 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.841 10.852 3.011 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.720 9.979 2.221 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.287 9.560 3.253 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.177 8.678 2.464 1.00 0.00 C ATOM 617 CZ TYR A 43 3.457 8.472 2.980 1.00 0.00 C ATOM 618 OH TYR A 43 3.899 7.188 3.217 1.00 0.00 O ATOM 0 H TYR A 43 1.695 12.004 4.626 1.00 0.00 H new ATOM 0 HA TYR A 43 3.612 13.617 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.967 12.488 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.414 12.823 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.487 11.692 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.729 10.139 1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.277 9.397 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.538 7.833 2.252 1.00 0.00 H new ATOM 0 HH TYR A 43 3.196 6.550 2.973 1.00 0.00 H new ATOM 628 N GLY A 44 0.995 15.040 4.232 1.00 0.00 N ATOM 629 CA GLY A 44 0.247 16.288 4.255 1.00 0.00 C ATOM 630 C GLY A 44 -0.755 16.330 3.110 1.00 0.00 C ATOM 631 O GLY A 44 -1.395 17.352 2.868 1.00 0.00 O ATOM 0 H GLY A 44 0.832 14.432 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.275 16.389 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.933 17.131 4.177 1.00 0.00 H new ATOM 635 N LEU A 45 -0.906 15.213 2.419 1.00 0.00 N ATOM 636 CA LEU A 45 -1.852 15.139 1.318 1.00 0.00 C ATOM 637 C LEU A 45 -3.298 15.276 1.820 1.00 0.00 C ATOM 638 O LEU A 45 -3.678 14.695 2.831 1.00 0.00 O ATOM 639 CB LEU A 45 -1.673 13.783 0.578 1.00 0.00 C ATOM 640 CG LEU A 45 -2.657 12.720 1.124 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.546 11.428 0.320 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.356 12.447 2.624 1.00 0.00 C ATOM 0 H LEU A 45 -0.391 14.351 2.598 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.655 15.963 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.839 13.923 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.648 13.431 0.698 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.675 13.099 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.244 10.691 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.784 11.628 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.530 11.040 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.051 11.698 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.335 12.081 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.471 13.370 3.192 1.00 0.00 H new ATOM 654 N ASP A 46 -4.097 16.018 1.085 1.00 0.00 N ATOM 655 CA ASP A 46 -5.498 16.190 1.448 1.00 0.00 C ATOM 656 C ASP A 46 -6.296 14.916 1.174 1.00 0.00 C ATOM 657 O ASP A 46 -5.820 14.007 0.512 1.00 0.00 O ATOM 658 CB ASP A 46 -6.097 17.346 0.656 1.00 0.00 C ATOM 659 CG ASP A 46 -5.284 18.610 0.893 1.00 0.00 C ATOM 660 OD1 ASP A 46 -5.118 18.978 2.045 1.00 0.00 O ATOM 661 OD2 ASP A 46 -4.836 19.195 -0.080 1.00 0.00 O ATOM 0 H ASP A 46 -3.810 16.510 0.239 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.550 16.407 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.108 17.104 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.132 17.507 0.957 1.00 0.00 H new ATOM 666 N SER A 47 -7.512 14.857 1.699 1.00 0.00 N ATOM 667 CA SER A 47 -8.364 13.687 1.507 1.00 0.00 C ATOM 668 C SER A 47 -8.685 13.493 0.026 1.00 0.00 C ATOM 669 O SER A 47 -8.909 12.373 -0.429 1.00 0.00 O ATOM 670 CB SER A 47 -9.664 13.853 2.292 1.00 0.00 C ATOM 671 OG SER A 47 -10.337 15.024 1.843 1.00 0.00 O ATOM 0 H SER A 47 -7.931 15.600 2.258 1.00 0.00 H new ATOM 0 HA SER A 47 -7.829 12.810 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.300 12.979 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.452 13.928 3.358 1.00 0.00 H new ATOM 0 HG SER A 47 -11.173 15.133 2.343 1.00 0.00 H new ATOM 677 N VAL A 48 -8.709 14.595 -0.716 1.00 0.00 N ATOM 678 CA VAL A 48 -9.008 14.538 -2.142 1.00 0.00 C ATOM 679 C VAL A 48 -8.007 13.645 -2.865 1.00 0.00 C ATOM 680 O VAL A 48 -8.294 13.113 -3.937 1.00 0.00 O ATOM 681 CB VAL A 48 -8.966 15.945 -2.741 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.217 15.865 -4.250 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.045 16.810 -2.090 1.00 0.00 C ATOM 0 H VAL A 48 -8.526 15.532 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.007 14.119 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.987 16.388 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.187 16.867 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.447 15.249 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.196 15.421 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.015 17.812 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.025 16.368 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.866 16.868 -1.016 1.00 0.00 H new ATOM 693 N TYR A 49 -6.831 13.486 -2.273 1.00 0.00 N ATOM 694 CA TYR A 49 -5.796 12.652 -2.869 1.00 0.00 C ATOM 695 C TYR A 49 -6.227 11.189 -2.897 1.00 0.00 C ATOM 696 O TYR A 49 -6.032 10.495 -3.888 1.00 0.00 O ATOM 697 CB TYR A 49 -4.493 12.779 -2.070 1.00 0.00 C ATOM 698 CG TYR A 49 -3.793 14.067 -2.434 1.00 0.00 C ATOM 699 CD1 TYR A 49 -4.422 15.296 -2.202 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.520 14.033 -3.012 1.00 0.00 C ATOM 701 CE1 TYR A 49 -3.778 16.487 -2.547 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.878 15.222 -3.357 1.00 0.00 C ATOM 703 CZ TYR A 49 -2.505 16.453 -3.123 1.00 0.00 C ATOM 704 OH TYR A 49 -1.868 17.629 -3.467 1.00 0.00 O ATOM 0 H TYR A 49 -6.571 13.920 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.635 12.993 -3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.708 12.760 -1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.843 11.929 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.405 15.324 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.034 13.085 -3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.264 17.435 -2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.896 15.194 -3.805 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.991 17.425 -3.854 1.00 0.00 H new ATOM 714 N ALA A 50 -6.809 10.724 -1.804 1.00 0.00 N ATOM 715 CA ALA A 50 -7.241 9.337 -1.720 1.00 0.00 C ATOM 716 C ALA A 50 -7.968 8.914 -2.986 1.00 0.00 C ATOM 717 O ALA A 50 -7.686 7.867 -3.552 1.00 0.00 O ATOM 718 CB ALA A 50 -8.178 9.155 -0.520 1.00 0.00 C ATOM 0 H ALA A 50 -6.992 11.280 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.354 8.715 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.498 8.115 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.652 9.424 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.051 9.797 -0.639 1.00 0.00 H new ATOM 724 N LEU A 51 -8.894 9.740 -3.435 1.00 0.00 N ATOM 725 CA LEU A 51 -9.648 9.422 -4.635 1.00 0.00 C ATOM 726 C LEU A 51 -8.724 9.131 -5.815 1.00 0.00 C ATOM 727 O LEU A 51 -8.805 8.064 -6.440 1.00 0.00 O ATOM 728 CB LEU A 51 -10.563 10.602 -4.989 1.00 0.00 C ATOM 729 CG LEU A 51 -11.315 10.303 -6.312 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.784 10.709 -6.176 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.676 11.098 -7.461 1.00 0.00 C ATOM 0 H LEU A 51 -9.141 10.626 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.240 8.529 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.278 10.774 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.974 11.513 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.250 9.236 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.308 10.497 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.244 10.145 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.848 11.775 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.206 10.886 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.737 12.164 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.630 10.809 -7.566 1.00 0.00 H new ATOM 743 N SER A 52 -7.840 10.076 -6.112 1.00 0.00 N ATOM 744 CA SER A 52 -6.908 9.909 -7.218 1.00 0.00 C ATOM 745 C SER A 52 -5.870 8.837 -6.913 1.00 0.00 C ATOM 746 O SER A 52 -5.660 7.918 -7.703 1.00 0.00 O ATOM 747 CB SER A 52 -6.202 11.238 -7.505 1.00 0.00 C ATOM 748 OG SER A 52 -5.741 11.241 -8.849 1.00 0.00 O ATOM 0 H SER A 52 -7.750 10.958 -5.607 1.00 0.00 H new ATOM 0 HA SER A 52 -7.477 9.594 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.887 12.070 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.365 11.374 -6.820 1.00 0.00 H new ATOM 0 HG SER A 52 -5.290 12.090 -9.038 1.00 0.00 H new ATOM 754 N ILE A 53 -5.216 8.970 -5.767 1.00 0.00 N ATOM 755 CA ILE A 53 -4.195 8.011 -5.371 1.00 0.00 C ATOM 756 C ILE A 53 -4.773 6.612 -5.258 1.00 0.00 C ATOM 757 O ILE A 53 -4.381 5.709 -5.994 1.00 0.00 O ATOM 758 CB ILE A 53 -3.588 8.425 -4.025 1.00 0.00 C ATOM 759 CG1 ILE A 53 -3.025 9.849 -4.130 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.465 7.459 -3.643 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.935 9.916 -5.212 1.00 0.00 C ATOM 0 H ILE A 53 -5.373 9.726 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.421 8.003 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.363 8.396 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.827 10.547 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.612 10.155 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.038 7.758 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.866 6.449 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.690 7.481 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.546 10.932 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.125 9.233 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.360 9.631 -6.174 1.00 0.00 H new ATOM 773 N ALA A 54 -5.713 6.435 -4.345 1.00 0.00 N ATOM 774 CA ALA A 54 -6.326 5.129 -4.148 1.00 0.00 C ATOM 775 C ALA A 54 -6.736 4.524 -5.479 1.00 0.00 C ATOM 776 O ALA A 54 -6.586 3.322 -5.686 1.00 0.00 O ATOM 777 CB ALA A 54 -7.551 5.254 -3.245 1.00 0.00 C ATOM 0 H ALA A 54 -6.067 7.170 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.593 4.476 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.001 4.271 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.250 5.657 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.277 5.923 -3.707 1.00 0.00 H new ATOM 783 N ALA A 55 -7.251 5.362 -6.382 1.00 0.00 N ATOM 784 CA ALA A 55 -7.668 4.881 -7.692 1.00 0.00 C ATOM 785 C ALA A 55 -6.470 4.347 -8.478 1.00 0.00 C ATOM 786 O ALA A 55 -6.519 3.258 -9.032 1.00 0.00 O ATOM 787 CB ALA A 55 -8.326 6.022 -8.472 1.00 0.00 C ATOM 0 H ALA A 55 -7.386 6.361 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.383 4.070 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.637 5.661 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.197 6.382 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.613 6.837 -8.596 1.00 0.00 H new ATOM 793 N GLU A 56 -5.406 5.131 -8.533 1.00 0.00 N ATOM 794 CA GLU A 56 -4.209 4.724 -9.269 1.00 0.00 C ATOM 795 C GLU A 56 -3.547 3.514 -8.609 1.00 0.00 C ATOM 796 O GLU A 56 -3.199 2.523 -9.269 1.00 0.00 O ATOM 797 CB GLU A 56 -3.215 5.888 -9.318 1.00 0.00 C ATOM 798 CG GLU A 56 -3.800 7.033 -10.151 1.00 0.00 C ATOM 799 CD GLU A 56 -3.889 6.622 -11.616 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.167 5.717 -12.001 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.674 7.220 -12.333 1.00 0.00 O ATOM 0 H GLU A 56 -5.341 6.044 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.505 4.447 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.997 6.235 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.272 5.555 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.790 7.296 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.176 7.921 -10.052 1.00 0.00 H new ATOM 808 N LEU A 57 -3.378 3.590 -7.296 1.00 0.00 N ATOM 809 CA LEU A 57 -2.755 2.489 -6.566 1.00 0.00 C ATOM 810 C LEU A 57 -3.524 1.203 -6.780 1.00 0.00 C ATOM 811 O LEU A 57 -3.002 0.280 -7.359 1.00 0.00 O ATOM 812 CB LEU A 57 -2.740 2.830 -5.058 1.00 0.00 C ATOM 813 CG LEU A 57 -1.439 3.565 -4.703 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.348 4.859 -5.496 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.420 3.868 -3.207 1.00 0.00 C ATOM 0 H LEU A 57 -3.657 4.385 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.738 2.352 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.600 3.452 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.825 1.917 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.585 2.936 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.424 5.378 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.356 4.634 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.199 5.495 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.497 4.390 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.274 4.496 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.475 2.935 -2.646 1.00 0.00 H new ATOM 827 N GLU A 58 -4.753 1.150 -6.308 1.00 0.00 N ATOM 828 CA GLU A 58 -5.556 -0.059 -6.448 1.00 0.00 C ATOM 829 C GLU A 58 -5.627 -0.505 -7.900 1.00 0.00 C ATOM 830 O GLU A 58 -5.675 -1.701 -8.191 1.00 0.00 O ATOM 831 CB GLU A 58 -6.953 0.193 -5.909 1.00 0.00 C ATOM 832 CG GLU A 58 -7.707 1.178 -6.830 1.00 0.00 C ATOM 833 CD GLU A 58 -8.564 0.419 -7.843 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.192 -0.687 -8.195 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.577 0.956 -8.247 1.00 0.00 O ATOM 0 H GLU A 58 -5.219 1.920 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.083 -0.857 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.501 -0.747 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.894 0.599 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.338 1.834 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.993 1.814 -7.354 1.00 0.00 H new ATOM 842 N ASP A 59 -5.640 0.461 -8.810 1.00 0.00 N ATOM 843 CA ASP A 59 -5.703 0.154 -10.236 1.00 0.00 C ATOM 844 C ASP A 59 -4.500 -0.682 -10.643 1.00 0.00 C ATOM 845 O ASP A 59 -4.579 -1.489 -11.568 1.00 0.00 O ATOM 846 CB ASP A 59 -5.740 1.456 -11.052 1.00 0.00 C ATOM 847 CG ASP A 59 -7.173 1.976 -11.160 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.028 1.449 -10.468 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.390 2.896 -11.929 1.00 0.00 O ATOM 0 H ASP A 59 -5.608 1.457 -8.590 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.611 -0.415 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.108 2.208 -10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.334 1.280 -12.048 1.00 0.00 H new ATOM 854 N HIS A 60 -3.391 -0.486 -9.944 1.00 0.00 N ATOM 855 CA HIS A 60 -2.178 -1.245 -10.242 1.00 0.00 C ATOM 856 C HIS A 60 -2.276 -2.660 -9.675 1.00 0.00 C ATOM 857 O HIS A 60 -1.744 -3.612 -10.249 1.00 0.00 O ATOM 858 CB HIS A 60 -0.957 -0.540 -9.649 1.00 0.00 C ATOM 859 CG HIS A 60 -0.698 0.725 -10.423 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.730 1.524 -10.899 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.463 1.346 -10.808 1.00 0.00 C ATOM 862 CE1 HIS A 60 -1.171 2.568 -11.537 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.163 2.508 -11.512 1.00 0.00 N ATOM 0 H HIS A 60 -3.302 0.181 -9.177 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.070 -1.306 -11.325 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.129 -0.310 -8.598 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.086 -1.194 -9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.459 0.987 -10.597 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.733 3.359 -12.012 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.821 3.172 -11.921 1.00 0.00 H new ATOM 872 N LEU A 61 -2.932 -2.785 -8.526 1.00 0.00 N ATOM 873 CA LEU A 61 -3.077 -4.079 -7.864 1.00 0.00 C ATOM 874 C LEU A 61 -4.379 -4.738 -8.245 1.00 0.00 C ATOM 875 O LEU A 61 -4.676 -5.838 -7.774 1.00 0.00 O ATOM 876 CB LEU A 61 -3.002 -3.903 -6.334 1.00 0.00 C ATOM 877 CG LEU A 61 -1.611 -3.398 -5.920 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.536 -4.383 -6.382 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.351 -2.030 -6.553 1.00 0.00 C ATOM 0 H LEU A 61 -3.372 -2.008 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.260 -4.722 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.765 -3.197 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.213 -4.852 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.575 -3.312 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.446 -4.016 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.714 -5.356 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.573 -4.480 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.364 -1.674 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.396 -2.117 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.108 -1.323 -6.214 1.00 0.00 H new ATOM 891 N ASP A 62 -5.141 -4.089 -9.122 1.00 0.00 N ATOM 892 CA ASP A 62 -6.394 -4.639 -9.570 1.00 0.00 C ATOM 893 C ASP A 62 -7.271 -5.032 -8.397 1.00 0.00 C ATOM 894 O ASP A 62 -7.656 -6.192 -8.257 1.00 0.00 O ATOM 895 CB ASP A 62 -6.142 -5.859 -10.442 1.00 0.00 C ATOM 896 CG ASP A 62 -5.564 -5.431 -11.795 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.631 -4.251 -12.099 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.067 -6.288 -12.509 1.00 0.00 O ATOM 0 H ASP A 62 -4.904 -3.184 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.911 -3.872 -10.147 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.451 -6.537 -9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.073 -6.406 -10.592 1.00 0.00 H new ATOM 903 N VAL A 63 -7.584 -4.064 -7.548 1.00 0.00 N ATOM 904 CA VAL A 63 -8.415 -4.326 -6.373 1.00 0.00 C ATOM 905 C VAL A 63 -9.288 -3.129 -6.047 1.00 0.00 C ATOM 906 O VAL A 63 -8.968 -2.017 -6.397 1.00 0.00 O ATOM 907 CB VAL A 63 -7.514 -4.631 -5.166 1.00 0.00 C ATOM 908 CG1 VAL A 63 -6.965 -6.044 -5.285 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.344 -3.646 -5.137 1.00 0.00 C ATOM 0 H VAL A 63 -7.280 -3.095 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.057 -5.179 -6.592 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.099 -4.537 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.326 -6.259 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.791 -6.755 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.384 -6.132 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.706 -3.864 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.764 -3.743 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.727 -2.629 -5.055 1.00 0.00 H new ATOM 919 N SER A 64 -10.405 -3.367 -5.383 1.00 0.00 N ATOM 920 CA SER A 64 -11.321 -2.283 -5.010 1.00 0.00 C ATOM 921 C SER A 64 -11.270 -2.079 -3.502 1.00 0.00 C ATOM 922 O SER A 64 -11.381 -3.032 -2.735 1.00 0.00 O ATOM 923 CB SER A 64 -12.744 -2.621 -5.425 1.00 0.00 C ATOM 924 OG SER A 64 -12.794 -2.786 -6.836 1.00 0.00 O ATOM 0 H SER A 64 -10.707 -4.296 -5.088 1.00 0.00 H new ATOM 0 HA SER A 64 -11.014 -1.371 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.073 -3.534 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.424 -1.827 -5.116 1.00 0.00 H new ATOM 0 HG SER A 64 -13.710 -3.006 -7.107 1.00 0.00 H new ATOM 930 N LEU A 65 -11.079 -0.834 -3.085 1.00 0.00 N ATOM 931 CA LEU A 65 -10.990 -0.509 -1.656 1.00 0.00 C ATOM 932 C LEU A 65 -12.224 0.261 -1.216 1.00 0.00 C ATOM 933 O LEU A 65 -12.949 0.818 -2.040 1.00 0.00 O ATOM 934 CB LEU A 65 -9.730 0.343 -1.374 1.00 0.00 C ATOM 935 CG LEU A 65 -8.734 0.180 -2.533 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.218 1.016 -3.753 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.343 0.660 -2.086 1.00 0.00 C ATOM 0 H LEU A 65 -10.982 -0.032 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.925 -1.442 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.005 1.392 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.269 0.031 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.674 -0.870 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.512 0.901 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.201 0.666 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.280 2.067 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.637 0.544 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.396 1.710 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.009 0.066 -1.235 1.00 0.00 H new ATOM 949 N ASP A 66 -12.453 0.297 0.090 1.00 0.00 N ATOM 950 CA ASP A 66 -13.603 1.011 0.634 1.00 0.00 C ATOM 951 C ASP A 66 -13.196 2.401 1.110 1.00 0.00 C ATOM 952 O ASP A 66 -12.033 2.660 1.375 1.00 0.00 O ATOM 953 CB ASP A 66 -14.208 0.205 1.803 1.00 0.00 C ATOM 954 CG ASP A 66 -15.529 -0.437 1.381 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.589 -0.935 0.270 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.464 -0.396 2.163 1.00 0.00 O ATOM 0 H ASP A 66 -11.864 -0.156 0.789 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.351 1.124 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.507 -0.566 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.372 0.860 2.658 1.00 0.00 H new ATOM 961 N PRO A 67 -14.145 3.286 1.233 1.00 0.00 N ATOM 962 CA PRO A 67 -13.884 4.684 1.692 1.00 0.00 C ATOM 963 C PRO A 67 -13.407 4.741 3.142 1.00 0.00 C ATOM 964 O PRO A 67 -12.253 5.069 3.413 1.00 0.00 O ATOM 965 CB PRO A 67 -15.252 5.378 1.532 1.00 0.00 C ATOM 966 CG PRO A 67 -16.261 4.273 1.558 1.00 0.00 C ATOM 967 CD PRO A 67 -15.571 3.056 0.954 1.00 0.00 C ATOM 0 HA PRO A 67 -13.088 5.160 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.428 6.091 2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.303 5.935 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.589 4.069 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.148 4.542 0.985 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.923 2.130 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.762 2.978 -0.116 1.00 0.00 H new ATOM 975 N THR A 68 -14.309 4.434 4.068 1.00 0.00 N ATOM 976 CA THR A 68 -13.974 4.468 5.484 1.00 0.00 C ATOM 977 C THR A 68 -12.891 3.447 5.802 1.00 0.00 C ATOM 978 O THR A 68 -12.225 3.532 6.833 1.00 0.00 O ATOM 979 CB THR A 68 -15.220 4.168 6.324 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.707 2.873 5.999 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.301 5.209 6.030 1.00 0.00 C ATOM 0 H THR A 68 -15.270 4.161 3.864 1.00 0.00 H new ATOM 0 HA THR A 68 -13.603 5.464 5.725 1.00 0.00 H new ATOM 0 HB THR A 68 -14.962 4.206 7.382 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.503 2.678 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.186 4.993 6.629 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.927 6.202 6.279 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.561 5.174 4.972 1.00 0.00 H new ATOM 989 N LEU A 69 -12.718 2.481 4.907 1.00 0.00 N ATOM 990 CA LEU A 69 -11.706 1.454 5.097 1.00 0.00 C ATOM 991 C LEU A 69 -10.302 2.035 4.938 1.00 0.00 C ATOM 992 O LEU A 69 -9.402 1.741 5.720 1.00 0.00 O ATOM 993 CB LEU A 69 -11.927 0.324 4.092 1.00 0.00 C ATOM 994 CG LEU A 69 -10.905 -0.801 4.346 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.417 -2.099 3.724 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.524 -0.435 3.746 1.00 0.00 C ATOM 0 H LEU A 69 -13.262 2.389 4.049 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.795 1.060 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.941 -0.065 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.821 0.702 3.075 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.785 -0.932 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.696 -2.897 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.373 -2.366 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.548 -1.961 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.818 -1.243 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.622 -0.286 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.158 0.482 4.207 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.122 2.877 3.928 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.822 3.488 3.679 1.00 0.00 C ATOM 1010 C ILE A 70 -8.343 4.223 4.922 1.00 0.00 C ATOM 1011 O ILE A 70 -7.158 4.193 5.253 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.923 4.452 2.495 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.114 3.654 1.193 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.640 5.283 2.394 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.698 4.568 0.110 1.00 0.00 C ATOM 0 H ILE A 70 -10.854 3.151 3.272 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.100 2.708 3.438 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.775 5.115 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.159 3.245 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.780 2.809 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.716 5.968 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.502 5.853 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.788 4.620 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.832 4.001 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.661 4.955 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.016 5.399 -0.072 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.267 4.891 5.599 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.922 5.633 6.804 1.00 0.00 C ATOM 1029 C TRP A 71 -8.722 4.674 7.973 1.00 0.00 C ATOM 1030 O TRP A 71 -8.291 5.078 9.052 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.034 6.628 7.144 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.028 7.743 6.148 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.988 7.962 5.222 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.027 8.784 5.956 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.644 9.076 4.479 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.443 9.617 4.891 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.811 9.083 6.599 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.679 10.709 4.478 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.041 10.181 6.185 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.474 10.993 5.126 1.00 0.00 C ATOM 0 H TRP A 71 -10.252 4.935 5.338 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.995 6.177 6.624 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.001 6.125 7.137 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.888 7.023 8.149 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.877 7.365 5.085 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.210 9.453 3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.469 8.464 7.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.017 11.331 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.109 10.402 6.685 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.877 11.836 4.812 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.031 3.398 7.747 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.880 2.377 8.790 1.00 0.00 C ATOM 1053 C ASP A 72 -7.489 1.766 8.731 1.00 0.00 C ATOM 1054 O ASP A 72 -6.907 1.429 9.761 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.925 1.283 8.614 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.949 0.392 9.851 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.984 0.424 10.599 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.928 -0.311 10.032 1.00 0.00 O ATOM 0 H ASP A 72 -9.385 3.045 6.858 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.021 2.853 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.908 1.727 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.697 0.688 7.730 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.955 1.627 7.515 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.616 1.063 7.323 1.00 0.00 C ATOM 1065 C HIS A 73 -4.707 2.063 6.609 1.00 0.00 C ATOM 1066 O HIS A 73 -4.136 1.760 5.565 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.714 -0.221 6.505 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.821 -1.078 7.047 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.203 -1.040 8.378 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.642 -1.999 6.445 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.215 -1.915 8.532 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.521 -2.525 7.385 1.00 0.00 N ATOM 0 H HIS A 73 -7.427 1.896 6.652 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.187 0.842 8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.903 0.016 5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.769 -0.762 6.544 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.793 -0.457 9.107 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.610 -2.273 5.401 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.718 -2.101 9.470 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.555 3.239 7.162 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.688 4.302 6.578 1.00 0.00 C ATOM 1083 C PRO A 74 -2.210 3.981 6.730 1.00 0.00 C ATOM 1084 O PRO A 74 -1.358 4.766 6.332 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.057 5.554 7.388 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.535 5.031 8.703 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.199 3.693 8.405 1.00 0.00 C ATOM 0 HA PRO A 74 -3.846 4.417 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.197 6.212 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.832 6.134 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.705 4.909 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.240 5.722 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.044 2.982 9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.276 3.802 8.279 1.00 0.00 H new ATOM 1095 N THR A 75 -1.915 2.823 7.308 1.00 0.00 N ATOM 1096 CA THR A 75 -0.523 2.404 7.510 1.00 0.00 C ATOM 1097 C THR A 75 -0.194 1.191 6.649 1.00 0.00 C ATOM 1098 O THR A 75 -1.068 0.394 6.310 1.00 0.00 O ATOM 1099 CB THR A 75 -0.302 2.061 8.992 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.435 1.357 9.487 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.106 3.349 9.797 1.00 0.00 C ATOM 0 H THR A 75 -2.611 2.158 7.645 1.00 0.00 H new ATOM 0 HA THR A 75 0.134 3.223 7.218 1.00 0.00 H new ATOM 0 HB THR A 75 0.587 1.438 9.091 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.296 1.136 10.431 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.050 3.102 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.763 3.887 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.992 3.977 9.700 1.00 0.00 H new ATOM 1109 N ILE A 76 1.080 1.060 6.304 1.00 0.00 N ATOM 1110 CA ILE A 76 1.524 -0.057 5.488 1.00 0.00 C ATOM 1111 C ILE A 76 1.324 -1.368 6.237 1.00 0.00 C ATOM 1112 O ILE A 76 0.891 -2.359 5.660 1.00 0.00 O ATOM 1113 CB ILE A 76 3.002 0.106 5.124 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.161 1.320 4.193 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.515 -1.156 4.401 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.604 1.397 3.657 1.00 0.00 C ATOM 0 H ILE A 76 1.818 1.710 6.575 1.00 0.00 H new ATOM 0 HA ILE A 76 0.931 -0.073 4.573 1.00 0.00 H new ATOM 0 HB ILE A 76 3.580 0.254 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.460 1.243 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.917 2.235 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.567 -1.028 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.402 -2.021 5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.939 -1.313 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.702 2.261 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.298 1.496 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.834 0.489 3.100 1.00 0.00 H new ATOM 1128 N ASP A 77 1.665 -1.373 7.518 1.00 0.00 N ATOM 1129 CA ASP A 77 1.542 -2.581 8.322 1.00 0.00 C ATOM 1130 C ASP A 77 0.124 -3.134 8.229 1.00 0.00 C ATOM 1131 O ASP A 77 -0.073 -4.333 8.020 1.00 0.00 O ATOM 1132 CB ASP A 77 1.865 -2.264 9.785 1.00 0.00 C ATOM 1133 CG ASP A 77 1.760 -3.528 10.631 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.340 -4.540 10.096 1.00 0.00 O ATOM 1135 OD2 ASP A 77 2.096 -3.463 11.802 1.00 0.00 O ATOM 0 H ASP A 77 2.026 -0.562 8.020 1.00 0.00 H new ATOM 0 HA ASP A 77 2.243 -3.325 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.870 -1.848 9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.177 -1.507 10.162 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.864 -2.253 8.372 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.254 -2.667 8.292 1.00 0.00 C ATOM 1142 C ALA A 78 -2.624 -3.028 6.861 1.00 0.00 C ATOM 1143 O ALA A 78 -3.260 -4.054 6.608 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.163 -1.540 8.795 1.00 0.00 C ATOM 0 H ALA A 78 -0.725 -1.257 8.542 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.390 -3.548 8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.204 -1.857 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.916 -1.308 9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.016 -0.652 8.180 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.248 -2.165 5.925 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.571 -2.403 4.538 1.00 0.00 C ATOM 1152 C LEU A 79 -1.929 -3.697 4.041 1.00 0.00 C ATOM 1153 O LEU A 79 -2.575 -4.514 3.384 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.072 -1.219 3.675 1.00 0.00 C ATOM 1155 CG LEU A 79 -3.022 -0.999 2.482 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.273 -2.331 1.743 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.370 -0.427 2.994 1.00 0.00 C ATOM 0 H LEU A 79 -1.726 -1.307 6.105 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.654 -2.496 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.019 -0.314 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.063 -1.421 3.315 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.563 -0.294 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.946 -2.160 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.326 -2.727 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.724 -3.048 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.043 -0.271 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.822 -1.131 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.194 0.523 3.498 1.00 0.00 H new ATOM 1169 N SER A 80 -0.654 -3.865 4.353 1.00 0.00 N ATOM 1170 CA SER A 80 0.075 -5.054 3.932 1.00 0.00 C ATOM 1171 C SER A 80 -0.555 -6.299 4.540 1.00 0.00 C ATOM 1172 O SER A 80 -0.787 -7.286 3.846 1.00 0.00 O ATOM 1173 CB SER A 80 1.536 -4.952 4.367 1.00 0.00 C ATOM 1174 OG SER A 80 2.144 -6.233 4.268 1.00 0.00 O ATOM 0 H SER A 80 -0.103 -3.198 4.893 1.00 0.00 H new ATOM 0 HA SER A 80 0.028 -5.126 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.066 -4.235 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.598 -4.585 5.391 1.00 0.00 H new ATOM 0 HG SER A 80 3.082 -6.172 4.545 1.00 0.00 H new ATOM 1180 N THR A 81 -0.840 -6.237 5.838 1.00 0.00 N ATOM 1181 CA THR A 81 -1.448 -7.366 6.534 1.00 0.00 C ATOM 1182 C THR A 81 -2.796 -7.710 5.901 1.00 0.00 C ATOM 1183 O THR A 81 -3.145 -8.881 5.729 1.00 0.00 O ATOM 1184 CB THR A 81 -1.643 -7.027 8.012 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.376 -6.803 8.615 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.344 -8.192 8.715 1.00 0.00 C ATOM 0 H THR A 81 -0.661 -5.423 6.425 1.00 0.00 H new ATOM 0 HA THR A 81 -0.785 -8.227 6.450 1.00 0.00 H new ATOM 0 HB THR A 81 -2.254 -6.129 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.032 -5.999 8.231 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.483 -7.950 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.315 -8.366 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.734 -9.091 8.626 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.557 -6.682 5.561 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.862 -6.886 4.951 1.00 0.00 C ATOM 1196 C ALA A 82 -4.718 -7.441 3.537 1.00 0.00 C ATOM 1197 O ALA A 82 -5.484 -8.313 3.121 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.632 -5.564 4.897 1.00 0.00 C ATOM 0 H ALA A 82 -3.297 -5.705 5.695 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.410 -7.605 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.607 -5.729 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.767 -5.180 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.071 -4.840 4.306 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.741 -6.921 2.795 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.532 -7.360 1.423 1.00 0.00 C ATOM 1206 C LEU A 83 -3.199 -8.847 1.373 1.00 0.00 C ATOM 1207 O LEU A 83 -3.772 -9.600 0.591 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.377 -6.544 0.793 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.606 -6.406 -0.715 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.463 -5.597 -1.328 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.671 -7.800 -1.354 1.00 0.00 C ATOM 0 H LEU A 83 -3.091 -6.205 3.119 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.451 -7.196 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.322 -5.558 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.424 -7.038 0.982 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.548 -5.889 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.623 -5.497 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.432 -4.607 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.518 -6.109 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.834 -7.701 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.733 -8.326 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.492 -8.365 -0.913 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.278 -9.269 2.224 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.886 -10.671 2.270 1.00 0.00 C ATOM 1225 C VAL A 84 -3.013 -11.515 2.861 1.00 0.00 C ATOM 1226 O VAL A 84 -3.139 -12.700 2.568 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.614 -10.838 3.105 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.894 -10.450 4.554 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.140 -12.292 3.043 1.00 0.00 C ATOM 0 H VAL A 84 -1.790 -8.668 2.888 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.687 -11.010 1.253 1.00 0.00 H new ATOM 0 HB VAL A 84 0.165 -10.190 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.014 -10.570 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.219 -9.410 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.677 -11.092 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.766 -12.405 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.918 -12.945 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.071 -12.562 2.008 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.828 -10.897 3.702 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.930 -11.593 4.344 1.00 0.00 C ATOM 1241 C ALA A 85 -6.011 -11.923 3.343 1.00 0.00 C ATOM 1242 O ALA A 85 -6.724 -12.917 3.493 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.507 -10.743 5.481 1.00 0.00 C ATOM 0 H ALA A 85 -3.746 -9.912 3.956 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.548 -12.526 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.332 -11.278 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.730 -10.549 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.870 -9.797 5.080 1.00 0.00 H new ATOM 1249 N GLU A 86 -6.118 -11.091 2.306 1.00 0.00 N ATOM 1250 CA GLU A 86 -7.121 -11.316 1.266 1.00 0.00 C ATOM 1251 C GLU A 86 -7.199 -12.805 0.965 1.00 0.00 C ATOM 1252 O GLU A 86 -8.248 -13.430 1.147 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.731 -10.536 0.001 1.00 0.00 C ATOM 1254 CG GLU A 86 -7.016 -9.051 0.209 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.522 -8.815 0.267 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -9.256 -9.741 -0.033 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.916 -7.712 0.608 1.00 0.00 O ATOM 0 H GLU A 86 -5.532 -10.268 2.165 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.096 -10.968 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.674 -10.687 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.292 -10.908 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.549 -8.708 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.579 -8.471 -0.604 1.00 0.00 H new ATOM 1264 N LEU A 87 -6.101 -13.368 0.498 1.00 0.00 N ATOM 1265 CA LEU A 87 -6.060 -14.797 0.164 1.00 0.00 C ATOM 1266 C LEU A 87 -5.402 -15.570 1.282 1.00 0.00 C ATOM 1267 O LEU A 87 -5.497 -16.785 1.327 1.00 0.00 O ATOM 1268 CB LEU A 87 -5.283 -15.038 -1.138 1.00 0.00 C ATOM 1269 CG LEU A 87 -5.967 -14.287 -2.303 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -5.328 -12.900 -2.468 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -5.800 -15.084 -3.600 1.00 0.00 C ATOM 0 H LEU A 87 -5.225 -12.870 0.339 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.086 -15.139 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.254 -14.696 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.242 -16.105 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.029 -14.174 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.812 -12.372 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.453 -12.330 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.266 -13.012 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.283 -14.552 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.739 -15.202 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.258 -16.066 -3.485 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.731 -14.846 2.179 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.040 -15.464 3.298 1.00 0.00 C ATOM 1285 C ARG A 88 -3.347 -16.757 2.861 1.00 0.00 C ATOM 1286 O ARG A 88 -2.153 -16.756 2.559 1.00 0.00 O ATOM 1287 CB ARG A 88 -5.041 -15.748 4.436 1.00 0.00 C ATOM 1288 CG ARG A 88 -4.333 -15.640 5.785 1.00 0.00 C ATOM 1289 CD ARG A 88 -3.277 -16.749 5.900 1.00 0.00 C ATOM 1290 NE ARG A 88 -2.821 -16.867 7.279 1.00 0.00 N ATOM 1291 CZ ARG A 88 -3.470 -17.628 8.154 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -4.534 -18.286 7.782 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -3.044 -17.718 9.384 1.00 0.00 N ATOM 0 H ARG A 88 -4.655 -13.829 2.147 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.275 -14.777 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.868 -15.039 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.468 -16.744 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.861 -14.662 5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.057 -15.727 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.697 -17.698 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.433 -16.527 5.248 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.990 -16.357 7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.867 -18.216 6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.033 -18.870 8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.212 -17.204 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.543 -18.302 10.055 1.00 0.00 H new ATOM 1307 N SER A 89 -4.107 -17.848 2.827 1.00 0.00 N ATOM 1308 CA SER A 89 -3.574 -19.132 2.425 1.00 0.00 C ATOM 1309 C SER A 89 -3.534 -19.240 0.906 1.00 0.00 C ATOM 1310 O SER A 89 -2.579 -18.798 0.269 1.00 0.00 O ATOM 1311 CB SER A 89 -4.439 -20.255 2.999 1.00 0.00 C ATOM 1312 OG SER A 89 -5.811 -19.967 2.753 1.00 0.00 O ATOM 0 H SER A 89 -5.096 -17.861 3.075 1.00 0.00 H new ATOM 0 HA SER A 89 -2.558 -19.224 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.168 -21.207 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.263 -20.353 4.070 1.00 0.00 H new ATOM 0 HG SER A 89 -6.367 -20.686 3.119 1.00 0.00 H new ATOM 1318 N ALA A 90 -4.577 -19.830 0.332 1.00 0.00 N ATOM 1319 CA ALA A 90 -4.648 -19.994 -1.115 1.00 0.00 C ATOM 1320 C ALA A 90 -5.048 -18.684 -1.786 1.00 0.00 C ATOM 1321 O ALA A 90 -4.183 -18.055 -2.374 1.00 0.00 O ATOM 1322 CB ALA A 90 -5.664 -21.082 -1.469 1.00 0.00 C ATOM 1323 OXT ALA A 90 -6.212 -18.329 -1.701 1.00 0.00 O ATOM 0 H ALA A 90 -5.379 -20.200 0.842 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.662 -20.287 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.711 -21.198 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.360 -22.025 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.647 -20.799 -1.092 1.00 0.00 H new TER 1329 ALA A 90