USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 31 TYR OH : rot 150:sc= 1.01 USER MOD Set 1.2: A 38 SER OG : rot 102:sc= 1.19 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.266 F(o=-1.1,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -179:sc= -1.26 (180deg=-1.28) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc=-0.00834 (180deg=-0.0878) USER MOD Single : A 27 MET CE :methyl -124:sc= -0.627 (180deg=-3.5!) USER MOD Single : A 29 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0641 (180deg=-0.356) USER MOD Single : A 52 HIS : no HE2:sc= 0.0552 K(o=0.055,f=-0.78) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -21:sc= 1.18 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc=-0.000437 (180deg=-0.0624) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.834 F(o=-2.3!,f=-0.83) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.32 K(o=-1.3,f=-5!) USER MOD Single : A 77 CYS SG : rot 150:sc= -2.35! USER MOD Single : A 83 THR OG1 : rot -80:sc= -0.771 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 130:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 4.724 -5.392 8.092 1.00 61.11 N ATOM 80 CA PRO A 6 5.187 -5.979 9.367 1.00 1.22 C ATOM 81 C PRO A 6 4.024 -6.392 10.293 1.00 30.14 C ATOM 82 O PRO A 6 2.952 -5.779 10.278 1.00 45.33 O ATOM 83 CB PRO A 6 6.020 -4.852 10.008 1.00 42.22 C ATOM 84 CG PRO A 6 6.344 -3.919 8.886 1.00 15.54 C ATOM 85 CD PRO A 6 5.178 -3.995 7.938 1.00 64.22 C ATOM 0 HA PRO A 6 5.749 -6.898 9.203 1.00 1.22 H new ATOM 0 HB2 PRO A 6 5.459 -4.345 10.793 1.00 42.22 H new ATOM 0 HB3 PRO A 6 6.927 -5.245 10.468 1.00 42.22 H new ATOM 0 HG2 PRO A 6 6.485 -2.902 9.252 1.00 15.54 H new ATOM 0 HG3 PRO A 6 7.270 -4.210 8.391 1.00 15.54 H new ATOM 0 HD2 PRO A 6 4.395 -3.284 8.201 1.00 64.22 H new ATOM 0 HD3 PRO A 6 5.475 -3.777 6.912 1.00 64.22 H new ATOM 93 N ILE A 7 4.251 -7.415 11.116 1.00 62.42 N ATOM 94 CA ILE A 7 3.198 -7.980 11.970 1.00 41.00 C ATOM 95 C ILE A 7 3.050 -7.195 13.290 1.00 52.15 C ATOM 96 O ILE A 7 3.946 -7.207 14.131 1.00 3.14 O ATOM 97 CB ILE A 7 3.472 -9.479 12.298 1.00 52.41 C ATOM 98 CG1 ILE A 7 3.521 -10.346 11.018 1.00 50.01 C ATOM 99 CG2 ILE A 7 2.417 -10.017 13.261 1.00 51.21 C ATOM 100 CD1 ILE A 7 4.770 -10.158 10.174 1.00 64.20 C ATOM 0 H ILE A 7 5.157 -7.873 11.212 1.00 62.42 H new ATOM 0 HA ILE A 7 2.269 -7.900 11.405 1.00 41.00 H new ATOM 0 HB ILE A 7 4.451 -9.536 12.775 1.00 52.41 H new ATOM 0 HG12 ILE A 7 3.445 -11.395 11.303 1.00 50.01 H new ATOM 0 HG13 ILE A 7 2.648 -10.118 10.407 1.00 50.01 H new ATOM 0 HG21 ILE A 7 2.624 -11.065 13.479 1.00 51.21 H new ATOM 0 HG22 ILE A 7 2.442 -9.442 14.187 1.00 51.21 H new ATOM 0 HG23 ILE A 7 1.430 -9.929 12.806 1.00 51.21 H new ATOM 0 HD11 ILE A 7 4.718 -10.805 9.298 1.00 64.20 H new ATOM 0 HD12 ILE A 7 4.840 -9.118 9.854 1.00 64.20 H new ATOM 0 HD13 ILE A 7 5.650 -10.416 10.764 1.00 64.20 H new ATOM 112 N GLU A 8 1.914 -6.520 13.464 1.00 4.05 N ATOM 113 CA GLU A 8 1.642 -5.748 14.689 1.00 13.35 C ATOM 114 C GLU A 8 0.601 -6.471 15.565 1.00 50.52 C ATOM 115 O GLU A 8 -0.541 -6.673 15.147 1.00 11.23 O ATOM 116 CB GLU A 8 1.162 -4.328 14.311 1.00 21.14 C ATOM 117 CG GLU A 8 1.123 -3.322 15.470 1.00 12.12 C ATOM 118 CD GLU A 8 -0.083 -3.489 16.387 1.00 4.25 C ATOM 119 OE1 GLU A 8 -1.197 -3.077 15.997 1.00 11.21 O ATOM 120 OE2 GLU A 8 0.078 -4.012 17.509 1.00 31.01 O ATOM 0 H GLU A 8 1.163 -6.489 12.775 1.00 4.05 H new ATOM 0 HA GLU A 8 2.560 -5.662 15.270 1.00 13.35 H new ATOM 0 HB2 GLU A 8 1.816 -3.936 13.532 1.00 21.14 H new ATOM 0 HB3 GLU A 8 0.163 -4.402 13.881 1.00 21.14 H new ATOM 0 HG2 GLU A 8 2.034 -3.426 16.060 1.00 12.12 H new ATOM 0 HG3 GLU A 8 1.121 -2.311 15.062 1.00 12.12 H new ATOM 127 N ILE A 9 1.006 -6.878 16.771 1.00 24.31 N ATOM 128 CA ILE A 9 0.111 -7.592 17.696 1.00 24.04 C ATOM 129 C ILE A 9 0.190 -7.014 19.122 1.00 22.32 C ATOM 130 O ILE A 9 1.211 -7.154 19.804 1.00 1.44 O ATOM 131 CB ILE A 9 0.450 -9.106 17.759 1.00 52.21 C ATOM 132 CG1 ILE A 9 0.441 -9.734 16.357 1.00 61.32 C ATOM 133 CG2 ILE A 9 -0.529 -9.839 18.678 1.00 60.25 C ATOM 134 CD1 ILE A 9 0.836 -11.195 16.344 1.00 74.11 C ATOM 0 H ILE A 9 1.948 -6.727 17.133 1.00 24.31 H new ATOM 0 HA ILE A 9 -0.899 -7.460 17.307 1.00 24.04 H new ATOM 0 HB ILE A 9 1.455 -9.207 18.169 1.00 52.21 H new ATOM 0 HG12 ILE A 9 -0.556 -9.632 15.929 1.00 61.32 H new ATOM 0 HG13 ILE A 9 1.122 -9.177 15.714 1.00 61.32 H new ATOM 0 HG21 ILE A 9 -0.275 -10.899 18.709 1.00 60.25 H new ATOM 0 HG22 ILE A 9 -0.467 -9.421 19.683 1.00 60.25 H new ATOM 0 HG23 ILE A 9 -1.544 -9.720 18.298 1.00 60.25 H new ATOM 0 HD11 ILE A 9 0.807 -11.571 15.321 1.00 74.11 H new ATOM 0 HD12 ILE A 9 1.845 -11.303 16.742 1.00 74.11 H new ATOM 0 HD13 ILE A 9 0.141 -11.765 16.960 1.00 74.11 H new ATOM 146 N ALA A 10 -0.888 -6.359 19.562 1.00 21.31 N ATOM 147 CA ALA A 10 -0.996 -5.838 20.938 1.00 22.10 C ATOM 148 C ALA A 10 0.149 -4.874 21.304 1.00 33.13 C ATOM 149 O ALA A 10 0.593 -4.828 22.455 1.00 72.32 O ATOM 150 CB ALA A 10 -1.053 -6.996 21.933 1.00 54.23 C ATOM 0 H ALA A 10 -1.707 -6.173 18.984 1.00 21.31 H new ATOM 0 HA ALA A 10 -1.920 -5.262 20.990 1.00 22.10 H new ATOM 0 HB1 ALA A 10 -1.133 -6.602 22.946 1.00 54.23 H new ATOM 0 HB2 ALA A 10 -1.921 -7.619 21.717 1.00 54.23 H new ATOM 0 HB3 ALA A 10 -0.146 -7.595 21.847 1.00 54.23 H new ATOM 156 N GLY A 11 0.614 -4.098 20.329 1.00 51.13 N ATOM 157 CA GLY A 11 1.695 -3.145 20.571 1.00 4.52 C ATOM 158 C GLY A 11 3.081 -3.737 20.325 1.00 14.01 C ATOM 159 O GLY A 11 4.097 -3.056 20.486 1.00 44.11 O ATOM 0 H GLY A 11 0.263 -4.109 19.371 1.00 51.13 H new ATOM 0 HA2 GLY A 11 1.557 -2.277 19.926 1.00 4.52 H new ATOM 0 HA3 GLY A 11 1.635 -2.790 21.600 1.00 4.52 H new ATOM 163 N HIS A 12 3.123 -5.012 19.944 1.00 12.01 N ATOM 164 CA HIS A 12 4.381 -5.693 19.627 1.00 70.53 C ATOM 165 C HIS A 12 4.567 -5.795 18.106 1.00 0.24 C ATOM 166 O HIS A 12 3.815 -6.497 17.427 1.00 20.33 O ATOM 167 CB HIS A 12 4.403 -7.092 20.258 1.00 5.10 C ATOM 168 CG HIS A 12 4.191 -7.085 21.743 1.00 75.13 C ATOM 169 ND1 HIS A 12 3.079 -7.301 22.484 1.00 40.32 N flip ATOM 170 CD2 HIS A 12 5.199 -6.840 22.645 1.00 34.41 C flip ATOM 171 CE1 HIS A 12 3.440 -7.187 23.803 1.00 22.24 C flip ATOM 172 NE2 HIS A 12 4.723 -6.908 23.869 1.00 4.35 N flip ATOM 0 H HIS A 12 2.295 -5.600 19.846 1.00 12.01 H new ATOM 0 HA HIS A 12 5.204 -5.109 20.040 1.00 70.53 H new ATOM 0 HB2 HIS A 12 3.630 -7.704 19.792 1.00 5.10 H new ATOM 0 HB3 HIS A 12 5.360 -7.565 20.038 1.00 5.10 H new ATOM 0 HD2 HIS A 12 6.226 -6.624 22.388 1.00 34.41 H new ATOM 0 HE1 HIS A 12 2.779 -7.307 24.648 1.00 22.24 H new ATOM 0 HE2 HIS A 12 5.259 -6.768 24.725 1.00 4.35 H new ATOM 181 N GLU A 13 5.560 -5.085 17.578 1.00 73.33 N ATOM 182 CA GLU A 13 5.807 -5.059 16.134 1.00 30.10 C ATOM 183 C GLU A 13 6.911 -6.047 15.739 1.00 13.24 C ATOM 184 O GLU A 13 8.026 -5.995 16.261 1.00 33.33 O ATOM 185 CB GLU A 13 6.187 -3.642 15.683 1.00 61.32 C ATOM 186 CG GLU A 13 5.129 -2.590 16.006 1.00 10.25 C ATOM 187 CD GLU A 13 5.490 -1.213 15.471 1.00 25.40 C ATOM 188 OE1 GLU A 13 6.296 -0.510 16.116 1.00 4.43 O ATOM 189 OE2 GLU A 13 4.974 -0.830 14.395 1.00 35.51 O ATOM 0 H GLU A 13 6.208 -4.519 18.126 1.00 73.33 H new ATOM 0 HA GLU A 13 4.886 -5.360 15.634 1.00 30.10 H new ATOM 0 HB2 GLU A 13 7.126 -3.358 16.159 1.00 61.32 H new ATOM 0 HB3 GLU A 13 6.364 -3.648 14.607 1.00 61.32 H new ATOM 0 HG2 GLU A 13 4.173 -2.900 15.584 1.00 10.25 H new ATOM 0 HG3 GLU A 13 4.997 -2.533 17.086 1.00 10.25 H new ATOM 196 N PHE A 14 6.591 -6.939 14.808 1.00 5.12 N ATOM 197 CA PHE A 14 7.533 -7.954 14.330 1.00 22.11 C ATOM 198 C PHE A 14 7.849 -7.747 12.844 1.00 54.10 C ATOM 199 O PHE A 14 6.964 -7.835 11.991 1.00 75.41 O ATOM 200 CB PHE A 14 6.950 -9.358 14.545 1.00 52.14 C ATOM 201 CG PHE A 14 6.479 -9.603 15.957 1.00 33.01 C ATOM 202 CD1 PHE A 14 7.385 -9.892 16.967 1.00 3.33 C ATOM 203 CD2 PHE A 14 5.130 -9.538 16.274 1.00 64.44 C ATOM 204 CE1 PHE A 14 6.958 -10.111 18.261 1.00 22.41 C ATOM 205 CE2 PHE A 14 4.698 -9.758 17.567 1.00 65.14 C ATOM 206 CZ PHE A 14 5.613 -10.044 18.562 1.00 23.35 C ATOM 0 H PHE A 14 5.675 -6.982 14.362 1.00 5.12 H new ATOM 0 HA PHE A 14 8.457 -7.856 14.899 1.00 22.11 H new ATOM 0 HB2 PHE A 14 6.114 -9.505 13.861 1.00 52.14 H new ATOM 0 HB3 PHE A 14 7.706 -10.100 14.288 1.00 52.14 H new ATOM 0 HD1 PHE A 14 8.439 -9.946 16.738 1.00 3.33 H new ATOM 0 HD2 PHE A 14 4.410 -9.313 15.501 1.00 64.44 H new ATOM 0 HE1 PHE A 14 7.675 -10.334 19.037 1.00 22.41 H new ATOM 0 HE2 PHE A 14 3.645 -9.707 17.801 1.00 65.14 H new ATOM 0 HZ PHE A 14 5.276 -10.215 19.574 1.00 23.35 H new ATOM 216 N ALA A 15 9.119 -7.490 12.537 1.00 72.23 N ATOM 217 CA ALA A 15 9.550 -7.231 11.156 1.00 10.44 C ATOM 218 C ALA A 15 9.621 -8.517 10.307 1.00 3.01 C ATOM 219 O ALA A 15 10.055 -8.484 9.155 1.00 71.55 O ATOM 220 CB ALA A 15 10.900 -6.524 11.164 1.00 72.11 C ATOM 0 H ALA A 15 9.872 -7.455 13.224 1.00 72.23 H new ATOM 0 HA ALA A 15 8.800 -6.590 10.693 1.00 10.44 H new ATOM 0 HB1 ALA A 15 11.217 -6.333 10.139 1.00 72.11 H new ATOM 0 HB2 ALA A 15 10.812 -5.578 11.699 1.00 72.11 H new ATOM 0 HB3 ALA A 15 11.638 -7.154 11.661 1.00 72.11 H new ATOM 226 N ARG A 16 9.204 -9.643 10.885 1.00 10.41 N ATOM 227 CA ARG A 16 9.171 -10.931 10.173 1.00 22.35 C ATOM 228 C ARG A 16 8.301 -11.958 10.918 1.00 62.10 C ATOM 229 O ARG A 16 8.155 -11.899 12.140 1.00 30.23 O ATOM 230 CB ARG A 16 10.598 -11.478 9.958 1.00 2.41 C ATOM 231 CG ARG A 16 11.520 -11.322 11.166 1.00 54.13 C ATOM 232 CD ARG A 16 12.916 -11.886 10.900 1.00 22.34 C ATOM 233 NE ARG A 16 13.902 -11.365 11.847 1.00 64.33 N ATOM 234 CZ ARG A 16 14.884 -12.057 12.358 1.00 31.41 C ATOM 235 NH1 ARG A 16 15.010 -13.322 12.114 1.00 23.03 N ATOM 236 NH2 ARG A 16 15.738 -11.474 13.133 1.00 3.13 N ATOM 0 H ARG A 16 8.881 -9.694 11.851 1.00 10.41 H new ATOM 0 HA ARG A 16 8.721 -10.758 9.196 1.00 22.35 H new ATOM 0 HB2 ARG A 16 10.534 -12.535 9.699 1.00 2.41 H new ATOM 0 HB3 ARG A 16 11.046 -10.967 9.106 1.00 2.41 H new ATOM 0 HG2 ARG A 16 11.599 -10.267 11.427 1.00 54.13 H new ATOM 0 HG3 ARG A 16 11.081 -11.831 12.024 1.00 54.13 H new ATOM 0 HD2 ARG A 16 12.887 -12.974 10.967 1.00 22.34 H new ATOM 0 HD3 ARG A 16 13.221 -11.637 9.884 1.00 22.34 H new ATOM 0 HE ARG A 16 13.816 -10.389 12.129 1.00 64.33 H new ATOM 0 HH11 ARG A 16 14.335 -13.795 11.513 1.00 23.03 H new ATOM 0 HH12 ARG A 16 15.784 -13.846 12.523 1.00 23.03 H new ATOM 0 HH21 ARG A 16 15.642 -10.480 13.342 1.00 3.13 H new ATOM 0 HH22 ARG A 16 16.508 -12.008 13.536 1.00 3.13 H new ATOM 250 N LYS A 17 7.726 -12.898 10.169 1.00 61.03 N ATOM 251 CA LYS A 17 6.820 -13.912 10.727 1.00 60.32 C ATOM 252 C LYS A 17 7.511 -14.789 11.790 1.00 34.54 C ATOM 253 O LYS A 17 6.922 -15.099 12.829 1.00 62.51 O ATOM 254 CB LYS A 17 6.241 -14.767 9.579 1.00 51.23 C ATOM 255 CG LYS A 17 5.468 -16.017 10.018 1.00 33.01 C ATOM 256 CD LYS A 17 6.342 -17.277 10.012 1.00 14.01 C ATOM 257 CE LYS A 17 6.893 -17.586 8.622 1.00 74.33 C ATOM 258 NZ LYS A 17 7.722 -18.820 8.614 1.00 62.15 N ATOM 0 H LYS A 17 7.871 -12.982 9.163 1.00 61.03 H new ATOM 0 HA LYS A 17 6.005 -13.401 11.239 1.00 60.32 H new ATOM 0 HB2 LYS A 17 5.578 -14.142 8.981 1.00 51.23 H new ATOM 0 HB3 LYS A 17 7.060 -15.076 8.929 1.00 51.23 H new ATOM 0 HG2 LYS A 17 5.068 -15.860 11.020 1.00 33.01 H new ATOM 0 HG3 LYS A 17 4.616 -16.166 9.354 1.00 33.01 H new ATOM 0 HD2 LYS A 17 7.170 -17.147 10.709 1.00 14.01 H new ATOM 0 HD3 LYS A 17 5.757 -18.125 10.367 1.00 14.01 H new ATOM 0 HE2 LYS A 17 6.066 -17.700 7.921 1.00 74.33 H new ATOM 0 HE3 LYS A 17 7.492 -16.744 8.274 1.00 74.33 H new ATOM 0 HZ1 LYS A 17 8.077 -18.994 7.652 1.00 62.15 H new ATOM 0 HZ2 LYS A 17 8.526 -18.702 9.263 1.00 62.15 H new ATOM 0 HZ3 LYS A 17 7.144 -19.628 8.921 1.00 62.15 H new ATOM 272 N ALA A 18 8.761 -15.173 11.537 1.00 64.44 N ATOM 273 CA ALA A 18 9.518 -16.011 12.479 1.00 45.11 C ATOM 274 C ALA A 18 9.715 -15.314 13.835 1.00 32.53 C ATOM 275 O ALA A 18 9.725 -15.965 14.881 1.00 72.42 O ATOM 276 CB ALA A 18 10.865 -16.387 11.881 1.00 22.31 C ATOM 0 H ALA A 18 9.274 -14.921 10.692 1.00 64.44 H new ATOM 0 HA ALA A 18 8.936 -16.916 12.656 1.00 45.11 H new ATOM 0 HB1 ALA A 18 11.416 -17.007 12.588 1.00 22.31 H new ATOM 0 HB2 ALA A 18 10.710 -16.941 10.955 1.00 22.31 H new ATOM 0 HB3 ALA A 18 11.435 -15.482 11.671 1.00 22.31 H new ATOM 282 N ASP A 19 9.864 -13.990 13.799 1.00 34.11 N ATOM 283 CA ASP A 19 10.040 -13.181 15.013 1.00 71.44 C ATOM 284 C ASP A 19 8.820 -13.312 15.943 1.00 44.32 C ATOM 285 O ASP A 19 8.957 -13.488 17.155 1.00 52.05 O ATOM 286 CB ASP A 19 10.273 -11.714 14.608 1.00 4.15 C ATOM 287 CG ASP A 19 10.626 -10.798 15.769 1.00 21.10 C ATOM 288 OD1 ASP A 19 11.212 -11.273 16.767 1.00 65.20 O ATOM 289 OD2 ASP A 19 10.338 -9.587 15.681 1.00 14.01 O ATOM 0 H ASP A 19 9.867 -13.447 12.935 1.00 34.11 H new ATOM 0 HA ASP A 19 10.907 -13.542 15.566 1.00 71.44 H new ATOM 0 HB2 ASP A 19 11.075 -11.675 13.871 1.00 4.15 H new ATOM 0 HB3 ASP A 19 9.374 -11.336 14.121 1.00 4.15 H new ATOM 294 N ALA A 20 7.625 -13.254 15.356 1.00 60.55 N ATOM 295 CA ALA A 20 6.378 -13.423 16.112 1.00 31.42 C ATOM 296 C ALA A 20 6.268 -14.835 16.717 1.00 3.21 C ATOM 297 O ALA A 20 5.918 -14.999 17.890 1.00 1.13 O ATOM 298 CB ALA A 20 5.179 -13.135 15.213 1.00 61.43 C ATOM 0 H ALA A 20 7.491 -13.091 14.358 1.00 60.55 H new ATOM 0 HA ALA A 20 6.387 -12.711 16.938 1.00 31.42 H new ATOM 0 HB1 ALA A 20 4.258 -13.263 15.782 1.00 61.43 H new ATOM 0 HB2 ALA A 20 5.238 -12.111 14.844 1.00 61.43 H new ATOM 0 HB3 ALA A 20 5.183 -13.825 14.369 1.00 61.43 H new ATOM 304 N LEU A 21 6.570 -15.853 15.907 1.00 33.31 N ATOM 305 CA LEU A 21 6.517 -17.250 16.364 1.00 50.42 C ATOM 306 C LEU A 21 7.552 -17.525 17.468 1.00 72.55 C ATOM 307 O LEU A 21 7.290 -18.291 18.399 1.00 11.13 O ATOM 308 CB LEU A 21 6.739 -18.213 15.187 1.00 72.13 C ATOM 309 CG LEU A 21 5.675 -18.157 14.078 1.00 1.45 C ATOM 310 CD1 LEU A 21 5.979 -19.188 12.994 1.00 2.45 C ATOM 311 CD2 LEU A 21 4.275 -18.375 14.651 1.00 64.52 C ATOM 0 H LEU A 21 6.853 -15.740 14.934 1.00 33.31 H new ATOM 0 HA LEU A 21 5.524 -17.418 16.781 1.00 50.42 H new ATOM 0 HB2 LEU A 21 7.712 -18.000 14.744 1.00 72.13 H new ATOM 0 HB3 LEU A 21 6.781 -19.231 15.575 1.00 72.13 H new ATOM 0 HG LEU A 21 5.704 -17.164 13.629 1.00 1.45 H new ATOM 0 HD11 LEU A 21 5.216 -19.135 12.217 1.00 2.45 H new ATOM 0 HD12 LEU A 21 6.956 -18.980 12.558 1.00 2.45 H new ATOM 0 HD13 LEU A 21 5.982 -20.186 13.432 1.00 2.45 H new ATOM 0 HD21 LEU A 21 3.541 -18.331 13.846 1.00 64.52 H new ATOM 0 HD22 LEU A 21 4.227 -19.352 15.132 1.00 64.52 H new ATOM 0 HD23 LEU A 21 4.057 -17.598 15.384 1.00 64.52 H new ATOM 323 N ALA A 22 8.722 -16.900 17.357 1.00 44.00 N ATOM 324 CA ALA A 22 9.774 -17.038 18.370 1.00 34.15 C ATOM 325 C ALA A 22 9.366 -16.358 19.684 1.00 32.23 C ATOM 326 O ALA A 22 9.472 -16.949 20.759 1.00 63.11 O ATOM 327 CB ALA A 22 11.087 -16.455 17.858 1.00 64.12 C ATOM 0 H ALA A 22 8.969 -16.292 16.576 1.00 44.00 H new ATOM 0 HA ALA A 22 9.915 -18.101 18.567 1.00 34.15 H new ATOM 0 HB1 ALA A 22 11.857 -16.566 18.622 1.00 64.12 H new ATOM 0 HB2 ALA A 22 11.393 -16.984 16.956 1.00 64.12 H new ATOM 0 HB3 ALA A 22 10.951 -15.398 17.630 1.00 64.12 H new ATOM 333 N PHE A 23 8.888 -15.117 19.581 1.00 74.12 N ATOM 334 CA PHE A 23 8.393 -14.363 20.739 1.00 32.11 C ATOM 335 C PHE A 23 7.388 -15.190 21.560 1.00 2.50 C ATOM 336 O PHE A 23 7.467 -15.252 22.791 1.00 13.55 O ATOM 337 CB PHE A 23 7.743 -13.055 20.259 1.00 25.13 C ATOM 338 CG PHE A 23 7.138 -12.218 21.361 1.00 65.10 C ATOM 339 CD1 PHE A 23 7.934 -11.400 22.148 1.00 71.04 C ATOM 340 CD2 PHE A 23 5.770 -12.245 21.600 1.00 10.20 C ATOM 341 CE1 PHE A 23 7.379 -10.627 23.148 1.00 1.52 C ATOM 342 CE2 PHE A 23 5.212 -11.475 22.602 1.00 32.35 C ATOM 343 CZ PHE A 23 6.017 -10.664 23.376 1.00 40.21 C ATOM 0 H PHE A 23 8.832 -14.607 18.700 1.00 74.12 H new ATOM 0 HA PHE A 23 9.238 -14.134 21.388 1.00 32.11 H new ATOM 0 HB2 PHE A 23 8.493 -12.460 19.738 1.00 25.13 H new ATOM 0 HB3 PHE A 23 6.966 -13.295 19.533 1.00 25.13 H new ATOM 0 HD1 PHE A 23 9.000 -11.367 21.977 1.00 71.04 H new ATOM 0 HD2 PHE A 23 5.135 -12.875 20.995 1.00 10.20 H new ATOM 0 HE1 PHE A 23 8.010 -9.993 23.753 1.00 1.52 H new ATOM 0 HE2 PHE A 23 4.147 -11.508 22.779 1.00 32.35 H new ATOM 0 HZ PHE A 23 5.583 -10.059 24.159 1.00 40.21 H new ATOM 353 N MET A 24 6.451 -15.830 20.867 1.00 50.43 N ATOM 354 CA MET A 24 5.463 -16.692 21.519 1.00 73.31 C ATOM 355 C MET A 24 6.096 -17.988 22.049 1.00 22.41 C ATOM 356 O MET A 24 5.773 -18.432 23.149 1.00 73.11 O ATOM 357 CB MET A 24 4.309 -17.010 20.558 1.00 13.23 C ATOM 358 CG MET A 24 3.432 -15.805 20.253 1.00 52.40 C ATOM 359 SD MET A 24 2.040 -16.197 19.175 1.00 10.21 S ATOM 360 CE MET A 24 2.871 -16.480 17.614 1.00 54.04 C ATOM 0 H MET A 24 6.353 -15.770 19.854 1.00 50.43 H new ATOM 0 HA MET A 24 5.068 -16.147 22.376 1.00 73.31 H new ATOM 0 HB2 MET A 24 4.718 -17.398 19.625 1.00 13.23 H new ATOM 0 HB3 MET A 24 3.693 -17.799 20.989 1.00 13.23 H new ATOM 0 HG2 MET A 24 3.054 -15.392 21.188 1.00 52.40 H new ATOM 0 HG3 MET A 24 4.039 -15.030 19.785 1.00 52.40 H new ATOM 0 HE1 MET A 24 2.134 -16.715 16.847 1.00 54.04 H new ATOM 0 HE2 MET A 24 3.421 -15.584 17.327 1.00 54.04 H new ATOM 0 HE3 MET A 24 3.565 -17.314 17.717 1.00 54.04 H new ATOM 370 N LYS A 25 7.006 -18.582 21.275 1.00 2.32 N ATOM 371 CA LYS A 25 7.660 -19.840 21.670 1.00 11.15 C ATOM 372 C LYS A 25 8.462 -19.679 22.976 1.00 64.30 C ATOM 373 O LYS A 25 8.390 -20.527 23.868 1.00 72.32 O ATOM 374 CB LYS A 25 8.586 -20.342 20.552 1.00 42.10 C ATOM 375 CG LYS A 25 9.118 -21.758 20.780 1.00 15.13 C ATOM 376 CD LYS A 25 8.003 -22.801 20.703 1.00 73.15 C ATOM 377 CE LYS A 25 8.499 -24.207 21.035 1.00 13.43 C ATOM 378 NZ LYS A 25 9.619 -24.641 20.155 1.00 42.14 N ATOM 0 H LYS A 25 7.309 -18.217 20.372 1.00 2.32 H new ATOM 0 HA LYS A 25 6.872 -20.574 21.843 1.00 11.15 H new ATOM 0 HB2 LYS A 25 8.045 -20.315 19.606 1.00 42.10 H new ATOM 0 HB3 LYS A 25 9.429 -19.658 20.457 1.00 42.10 H new ATOM 0 HG2 LYS A 25 9.880 -21.985 20.034 1.00 15.13 H new ATOM 0 HG3 LYS A 25 9.600 -21.813 21.756 1.00 15.13 H new ATOM 0 HD2 LYS A 25 7.205 -22.528 21.393 1.00 73.15 H new ATOM 0 HD3 LYS A 25 7.574 -22.797 19.701 1.00 73.15 H new ATOM 0 HE2 LYS A 25 8.826 -24.237 22.074 1.00 13.43 H new ATOM 0 HE3 LYS A 25 7.673 -24.912 20.940 1.00 13.43 H new ATOM 0 HZ1 LYS A 25 9.839 -25.640 20.341 1.00 42.14 H new ATOM 0 HZ2 LYS A 25 9.342 -24.527 19.159 1.00 42.14 H new ATOM 0 HZ3 LYS A 25 10.459 -24.059 20.350 1.00 42.14 H new ATOM 392 N VAL A 26 9.220 -18.588 23.081 1.00 23.10 N ATOM 393 CA VAL A 26 10.031 -18.318 24.277 1.00 74.24 C ATOM 394 C VAL A 26 9.158 -18.167 25.534 1.00 42.14 C ATOM 395 O VAL A 26 9.348 -18.887 26.517 1.00 32.14 O ATOM 396 CB VAL A 26 10.901 -17.048 24.098 1.00 13.45 C ATOM 397 CG1 VAL A 26 11.694 -16.744 25.370 1.00 1.23 C ATOM 398 CG2 VAL A 26 11.837 -17.203 22.900 1.00 11.22 C ATOM 0 H VAL A 26 9.292 -17.875 22.355 1.00 23.10 H new ATOM 0 HA VAL A 26 10.686 -19.179 24.408 1.00 74.24 H new ATOM 0 HB VAL A 26 10.236 -16.205 23.908 1.00 13.45 H new ATOM 0 HG11 VAL A 26 12.296 -15.848 25.218 1.00 1.23 H new ATOM 0 HG12 VAL A 26 11.005 -16.581 26.198 1.00 1.23 H new ATOM 0 HG13 VAL A 26 12.347 -17.585 25.601 1.00 1.23 H new ATOM 0 HG21 VAL A 26 12.440 -16.302 22.790 1.00 11.22 H new ATOM 0 HG22 VAL A 26 12.492 -18.060 23.058 1.00 11.22 H new ATOM 0 HG23 VAL A 26 11.248 -17.358 21.996 1.00 11.22 H new ATOM 408 N MET A 27 8.193 -17.242 25.500 1.00 43.12 N ATOM 409 CA MET A 27 7.305 -17.026 26.652 1.00 21.10 C ATOM 410 C MET A 27 6.470 -18.286 26.950 1.00 71.30 C ATOM 411 O MET A 27 6.090 -18.536 28.093 1.00 40.42 O ATOM 412 CB MET A 27 6.393 -15.805 26.431 1.00 62.42 C ATOM 413 CG MET A 27 5.338 -15.979 25.346 1.00 75.20 C ATOM 414 SD MET A 27 4.310 -14.507 25.154 1.00 55.42 S ATOM 415 CE MET A 27 3.089 -15.091 23.982 1.00 51.35 C ATOM 0 H MET A 27 8.006 -16.637 24.700 1.00 43.12 H new ATOM 0 HA MET A 27 7.932 -16.823 27.520 1.00 21.10 H new ATOM 0 HB2 MET A 27 5.892 -15.570 27.370 1.00 62.42 H new ATOM 0 HB3 MET A 27 7.015 -14.946 26.178 1.00 62.42 H new ATOM 0 HG2 MET A 27 5.827 -16.205 24.398 1.00 75.20 H new ATOM 0 HG3 MET A 27 4.706 -16.833 25.590 1.00 75.20 H new ATOM 0 HE1 MET A 27 3.078 -14.435 23.111 1.00 51.35 H new ATOM 0 HE2 MET A 27 3.340 -16.105 23.670 1.00 51.35 H new ATOM 0 HE3 MET A 27 2.105 -15.089 24.451 1.00 51.35 H new ATOM 425 N LEU A 28 6.209 -19.083 25.913 1.00 30.15 N ATOM 426 CA LEU A 28 5.507 -20.364 26.066 1.00 44.21 C ATOM 427 C LEU A 28 6.310 -21.339 26.947 1.00 31.34 C ATOM 428 O LEU A 28 5.756 -21.998 27.823 1.00 22.45 O ATOM 429 CB LEU A 28 5.249 -20.978 24.683 1.00 34.11 C ATOM 430 CG LEU A 28 4.505 -22.321 24.664 1.00 1.51 C ATOM 431 CD1 LEU A 28 3.136 -22.204 25.331 1.00 31.43 C ATOM 432 CD2 LEU A 28 4.367 -22.828 23.230 1.00 2.30 C ATOM 0 H LEU A 28 6.474 -18.865 24.952 1.00 30.15 H new ATOM 0 HA LEU A 28 4.554 -20.180 26.562 1.00 44.21 H new ATOM 0 HB2 LEU A 28 4.678 -20.262 24.092 1.00 34.11 H new ATOM 0 HB3 LEU A 28 6.208 -21.111 24.183 1.00 34.11 H new ATOM 0 HG LEU A 28 5.090 -23.042 25.235 1.00 1.51 H new ATOM 0 HD11 LEU A 28 2.633 -23.171 25.302 1.00 31.43 H new ATOM 0 HD12 LEU A 28 3.262 -21.891 26.368 1.00 31.43 H new ATOM 0 HD13 LEU A 28 2.534 -21.466 24.800 1.00 31.43 H new ATOM 0 HD21 LEU A 28 3.838 -23.781 23.230 1.00 2.30 H new ATOM 0 HD22 LEU A 28 3.807 -22.102 22.640 1.00 2.30 H new ATOM 0 HD23 LEU A 28 5.357 -22.963 22.795 1.00 2.30 H new ATOM 444 N ASN A 29 7.619 -21.422 26.705 1.00 52.00 N ATOM 445 CA ASN A 29 8.511 -22.234 27.546 1.00 72.15 C ATOM 446 C ASN A 29 8.799 -21.548 28.891 1.00 51.02 C ATOM 447 O ASN A 29 9.172 -22.205 29.866 1.00 54.35 O ATOM 448 CB ASN A 29 9.830 -22.531 26.824 1.00 70.42 C ATOM 449 CG ASN A 29 9.673 -23.536 25.695 1.00 10.03 C ATOM 450 OD1 ASN A 29 9.759 -24.743 25.903 1.00 72.33 O ATOM 451 ND2 ASN A 29 9.453 -23.054 24.489 1.00 14.45 N ATOM 0 H ASN A 29 8.087 -20.940 25.938 1.00 52.00 H new ATOM 0 HA ASN A 29 7.995 -23.174 27.742 1.00 72.15 H new ATOM 0 HB2 ASN A 29 10.236 -21.602 26.423 1.00 70.42 H new ATOM 0 HB3 ASN A 29 10.555 -22.911 27.544 1.00 70.42 H new ATOM 0 HD21 ASN A 29 9.349 -23.689 23.697 1.00 14.45 H new ATOM 0 HD22 ASN A 29 9.386 -22.046 24.347 1.00 14.45 H new ATOM 458 N ARG A 30 8.643 -20.224 28.931 1.00 53.43 N ATOM 459 CA ARG A 30 8.813 -19.456 30.173 1.00 71.23 C ATOM 460 C ARG A 30 7.716 -19.824 31.181 1.00 55.34 C ATOM 461 O ARG A 30 7.992 -20.059 32.361 1.00 11.40 O ATOM 462 CB ARG A 30 8.793 -17.946 29.861 1.00 31.12 C ATOM 463 CG ARG A 30 9.262 -17.032 31.002 1.00 0.02 C ATOM 464 CD ARG A 30 8.204 -16.815 32.091 1.00 35.14 C ATOM 465 NE ARG A 30 8.563 -17.460 33.355 1.00 0.22 N ATOM 466 CZ ARG A 30 8.210 -17.013 34.530 1.00 71.20 C ATOM 467 NH1 ARG A 30 7.496 -15.938 34.634 1.00 44.42 N ATOM 468 NH2 ARG A 30 8.576 -17.644 35.596 1.00 45.23 N ATOM 0 H ARG A 30 8.399 -19.657 28.119 1.00 53.43 H new ATOM 0 HA ARG A 30 9.776 -19.704 30.619 1.00 71.23 H new ATOM 0 HB2 ARG A 30 9.422 -17.764 28.990 1.00 31.12 H new ATOM 0 HB3 ARG A 30 7.777 -17.663 29.585 1.00 31.12 H new ATOM 0 HG2 ARG A 30 10.155 -17.461 31.456 1.00 0.02 H new ATOM 0 HG3 ARG A 30 9.548 -16.065 30.587 1.00 0.02 H new ATOM 0 HD2 ARG A 30 8.071 -15.746 32.257 1.00 35.14 H new ATOM 0 HD3 ARG A 30 7.246 -17.205 31.746 1.00 35.14 H new ATOM 0 HE ARG A 30 9.124 -18.311 33.316 1.00 0.22 H new ATOM 0 HH11 ARG A 30 7.206 -15.435 33.795 1.00 44.42 H new ATOM 0 HH12 ARG A 30 7.223 -15.594 35.555 1.00 44.42 H new ATOM 0 HH21 ARG A 30 9.140 -18.490 35.519 1.00 45.23 H new ATOM 0 HH22 ARG A 30 8.301 -17.296 36.514 1.00 45.23 H new ATOM 482 N TYR A 31 6.472 -19.870 30.711 1.00 74.20 N ATOM 483 CA TYR A 31 5.348 -20.292 31.549 1.00 55.54 C ATOM 484 C TYR A 31 5.262 -21.822 31.605 1.00 55.02 C ATOM 485 O TYR A 31 5.287 -22.499 30.576 1.00 61.45 O ATOM 486 CB TYR A 31 4.032 -19.697 31.032 1.00 54.32 C ATOM 487 CG TYR A 31 3.946 -18.188 31.195 1.00 64.51 C ATOM 488 CD1 TYR A 31 3.564 -17.622 32.408 1.00 54.15 C ATOM 489 CD2 TYR A 31 4.257 -17.331 30.144 1.00 62.42 C ATOM 490 CE1 TYR A 31 3.494 -16.252 32.566 1.00 2.21 C ATOM 491 CE2 TYR A 31 4.186 -15.961 30.296 1.00 45.02 C ATOM 492 CZ TYR A 31 3.805 -15.427 31.508 1.00 33.52 C ATOM 493 OH TYR A 31 3.743 -14.063 31.665 1.00 72.02 O ATOM 0 H TYR A 31 6.215 -19.621 29.756 1.00 74.20 H new ATOM 0 HA TYR A 31 5.517 -19.920 32.559 1.00 55.54 H new ATOM 0 HB2 TYR A 31 3.918 -19.948 29.977 1.00 54.32 H new ATOM 0 HB3 TYR A 31 3.200 -20.160 31.562 1.00 54.32 H new ATOM 0 HD1 TYR A 31 3.318 -18.265 33.240 1.00 54.15 H new ATOM 0 HD2 TYR A 31 4.559 -17.745 29.193 1.00 62.42 H new ATOM 0 HE1 TYR A 31 3.197 -15.830 33.515 1.00 2.21 H new ATOM 0 HE2 TYR A 31 4.428 -15.310 29.469 1.00 45.02 H new ATOM 0 HH TYR A 31 4.400 -13.636 31.076 1.00 72.02 H new ATOM 503 N ARG A 32 5.168 -22.357 32.815 1.00 25.32 N ATOM 504 CA ARG A 32 5.158 -23.806 33.026 1.00 14.45 C ATOM 505 C ARG A 32 3.895 -24.466 32.436 1.00 63.00 C ATOM 506 O ARG A 32 2.811 -23.875 32.455 1.00 63.21 O ATOM 507 CB ARG A 32 5.258 -24.108 34.524 1.00 52.10 C ATOM 508 CG ARG A 32 6.487 -23.494 35.192 1.00 41.45 C ATOM 509 CD ARG A 32 6.546 -23.807 36.683 1.00 62.31 C ATOM 510 NE ARG A 32 6.708 -25.237 36.941 1.00 4.14 N ATOM 511 CZ ARG A 32 6.429 -25.817 38.077 1.00 54.03 C ATOM 512 NH1 ARG A 32 5.901 -25.149 39.053 1.00 61.44 N ATOM 513 NH2 ARG A 32 6.664 -27.078 38.220 1.00 71.35 N ATOM 0 H ARG A 32 5.097 -21.809 33.672 1.00 25.32 H new ATOM 0 HA ARG A 32 6.019 -24.226 32.506 1.00 14.45 H new ATOM 0 HB2 ARG A 32 4.362 -23.737 35.021 1.00 52.10 H new ATOM 0 HB3 ARG A 32 5.279 -25.188 34.668 1.00 52.10 H new ATOM 0 HG2 ARG A 32 7.388 -23.870 34.707 1.00 41.45 H new ATOM 0 HG3 ARG A 32 6.475 -22.413 35.049 1.00 41.45 H new ATOM 0 HD2 ARG A 32 7.375 -23.262 37.134 1.00 62.31 H new ATOM 0 HD3 ARG A 32 5.633 -23.454 37.163 1.00 62.31 H new ATOM 0 HE ARG A 32 7.063 -25.820 36.183 1.00 4.14 H new ATOM 0 HH11 ARG A 32 5.698 -24.156 38.940 1.00 61.44 H new ATOM 0 HH12 ARG A 32 5.689 -25.616 39.935 1.00 61.44 H new ATOM 0 HH21 ARG A 32 7.064 -27.613 37.449 1.00 71.35 H new ATOM 0 HH22 ARG A 32 6.449 -27.540 39.104 1.00 71.35 H new ATOM 527 N PRO A 33 4.015 -25.715 31.925 1.00 33.43 N ATOM 528 CA PRO A 33 2.889 -26.455 31.296 1.00 11.40 C ATOM 529 C PRO A 33 1.727 -26.811 32.258 1.00 13.22 C ATOM 530 O PRO A 33 0.986 -27.768 32.013 1.00 42.34 O ATOM 531 CB PRO A 33 3.556 -27.744 30.769 1.00 0.21 C ATOM 532 CG PRO A 33 5.019 -27.442 30.740 1.00 44.23 C ATOM 533 CD PRO A 33 5.258 -26.504 31.889 1.00 41.21 C ATOM 0 HA PRO A 33 2.412 -25.840 30.533 1.00 11.40 H new ATOM 0 HB2 PRO A 33 3.342 -28.593 31.419 1.00 0.21 H new ATOM 0 HB3 PRO A 33 3.187 -28.001 29.776 1.00 0.21 H new ATOM 0 HG2 PRO A 33 5.610 -28.352 30.847 1.00 44.23 H new ATOM 0 HG3 PRO A 33 5.307 -26.984 29.793 1.00 44.23 H new ATOM 0 HD2 PRO A 33 5.424 -27.041 32.823 1.00 41.21 H new ATOM 0 HD3 PRO A 33 6.133 -25.875 31.723 1.00 41.21 H new ATOM 541 N GLY A 34 1.566 -26.045 33.335 1.00 41.54 N ATOM 542 CA GLY A 34 0.427 -26.223 34.231 1.00 4.40 C ATOM 543 C GLY A 34 -0.007 -24.922 34.904 1.00 22.02 C ATOM 544 O GLY A 34 -0.848 -24.930 35.807 1.00 73.25 O ATOM 0 H GLY A 34 2.206 -25.299 33.607 1.00 41.54 H new ATOM 0 HA2 GLY A 34 -0.412 -26.633 33.668 1.00 4.40 H new ATOM 0 HA3 GLY A 34 0.684 -26.955 34.997 1.00 4.40 H new ATOM 548 N ASP A 35 0.547 -23.797 34.447 1.00 13.54 N ATOM 549 CA ASP A 35 0.299 -22.490 35.073 1.00 13.31 C ATOM 550 C ASP A 35 -0.492 -21.540 34.156 1.00 72.54 C ATOM 551 O ASP A 35 -0.743 -21.842 32.988 1.00 14.31 O ATOM 552 CB ASP A 35 1.633 -21.849 35.478 1.00 3.14 C ATOM 553 CG ASP A 35 2.285 -22.568 36.650 1.00 4.42 C ATOM 554 OD1 ASP A 35 2.693 -23.736 36.491 1.00 54.53 O ATOM 555 OD2 ASP A 35 2.369 -21.975 37.746 1.00 43.51 O ATOM 0 H ASP A 35 1.173 -23.762 33.643 1.00 13.54 H new ATOM 0 HA ASP A 35 -0.314 -22.661 35.958 1.00 13.31 H new ATOM 0 HB2 ASP A 35 2.312 -21.858 34.625 1.00 3.14 H new ATOM 0 HB3 ASP A 35 1.467 -20.805 35.742 1.00 3.14 H new ATOM 560 N ILE A 36 -0.881 -20.390 34.708 1.00 23.41 N ATOM 561 CA ILE A 36 -1.672 -19.387 33.980 1.00 15.32 C ATOM 562 C ILE A 36 -0.775 -18.298 33.364 1.00 1.43 C ATOM 563 O ILE A 36 0.266 -17.948 33.919 1.00 44.34 O ATOM 564 CB ILE A 36 -2.710 -18.721 34.927 1.00 44.33 C ATOM 565 CG1 ILE A 36 -3.622 -19.782 35.566 1.00 23.30 C ATOM 566 CG2 ILE A 36 -3.546 -17.673 34.192 1.00 74.14 C ATOM 567 CD1 ILE A 36 -4.441 -20.575 34.566 1.00 43.33 C ATOM 0 H ILE A 36 -0.660 -20.125 35.668 1.00 23.41 H new ATOM 0 HA ILE A 36 -2.191 -19.906 33.174 1.00 15.32 H new ATOM 0 HB ILE A 36 -2.157 -18.214 35.717 1.00 44.33 H new ATOM 0 HG12 ILE A 36 -3.009 -20.472 36.146 1.00 23.30 H new ATOM 0 HG13 ILE A 36 -4.298 -19.291 36.266 1.00 23.30 H new ATOM 0 HG21 ILE A 36 -4.261 -17.228 34.884 1.00 74.14 H new ATOM 0 HG22 ILE A 36 -2.891 -16.896 33.797 1.00 74.14 H new ATOM 0 HG23 ILE A 36 -4.083 -18.147 33.370 1.00 74.14 H new ATOM 0 HD11 ILE A 36 -5.057 -21.302 35.095 1.00 43.33 H new ATOM 0 HD12 ILE A 36 -5.082 -19.898 34.002 1.00 43.33 H new ATOM 0 HD13 ILE A 36 -3.773 -21.096 33.881 1.00 43.33 H new ATOM 579 N VAL A 37 -1.189 -17.768 32.215 1.00 34.23 N ATOM 580 CA VAL A 37 -0.453 -16.696 31.533 1.00 50.04 C ATOM 581 C VAL A 37 -0.807 -15.312 32.118 1.00 63.12 C ATOM 582 O VAL A 37 -1.948 -15.070 32.514 1.00 15.20 O ATOM 583 CB VAL A 37 -0.759 -16.699 30.010 1.00 64.03 C ATOM 584 CG1 VAL A 37 0.061 -15.638 29.277 1.00 62.22 C ATOM 585 CG2 VAL A 37 -0.513 -18.082 29.412 1.00 1.40 C ATOM 0 H VAL A 37 -2.037 -18.064 31.731 1.00 34.23 H new ATOM 0 HA VAL A 37 0.609 -16.884 31.690 1.00 50.04 H new ATOM 0 HB VAL A 37 -1.813 -16.452 29.882 1.00 64.03 H new ATOM 0 HG11 VAL A 37 -0.176 -15.666 28.213 1.00 62.22 H new ATOM 0 HG12 VAL A 37 -0.179 -14.653 29.677 1.00 62.22 H new ATOM 0 HG13 VAL A 37 1.123 -15.838 29.417 1.00 62.22 H new ATOM 0 HG21 VAL A 37 -0.733 -18.061 28.345 1.00 1.40 H new ATOM 0 HG22 VAL A 37 0.529 -18.363 29.562 1.00 1.40 H new ATOM 0 HG23 VAL A 37 -1.159 -18.810 29.902 1.00 1.40 H new ATOM 595 N SER A 38 0.175 -14.408 32.166 1.00 63.33 N ATOM 596 CA SER A 38 -0.039 -13.047 32.695 1.00 35.44 C ATOM 597 C SER A 38 -0.981 -12.223 31.800 1.00 62.40 C ATOM 598 O SER A 38 -1.215 -12.564 30.640 1.00 21.02 O ATOM 599 CB SER A 38 1.298 -12.310 32.845 1.00 2.23 C ATOM 600 OG SER A 38 2.198 -13.032 33.673 1.00 72.11 O ATOM 0 H SER A 38 1.127 -14.588 31.847 1.00 63.33 H new ATOM 0 HA SER A 38 -0.508 -13.156 33.673 1.00 35.44 H new ATOM 0 HB2 SER A 38 1.745 -12.161 31.862 1.00 2.23 H new ATOM 0 HB3 SER A 38 1.124 -11.321 33.269 1.00 2.23 H new ATOM 0 HG SER A 38 2.858 -13.493 33.114 1.00 72.11 H new ATOM 606 N THR A 39 -1.499 -11.123 32.346 1.00 65.34 N ATOM 607 CA THR A 39 -2.484 -10.276 31.650 1.00 3.55 C ATOM 608 C THR A 39 -1.951 -9.713 30.318 1.00 43.30 C ATOM 609 O THR A 39 -2.597 -9.851 29.277 1.00 54.32 O ATOM 610 CB THR A 39 -2.938 -9.098 32.547 1.00 1.02 C ATOM 611 OG1 THR A 39 -3.437 -9.598 33.800 1.00 43.21 O ATOM 612 CG2 THR A 39 -4.025 -8.270 31.868 1.00 73.42 C ATOM 0 H THR A 39 -1.253 -10.790 33.278 1.00 65.34 H new ATOM 0 HA THR A 39 -3.332 -10.924 31.430 1.00 3.55 H new ATOM 0 HB THR A 39 -2.072 -8.459 32.720 1.00 1.02 H new ATOM 0 HG1 THR A 39 -3.720 -8.847 34.362 1.00 43.21 H new ATOM 0 HG21 THR A 39 -4.322 -7.451 32.524 1.00 73.42 H new ATOM 0 HG22 THR A 39 -3.642 -7.864 30.932 1.00 73.42 H new ATOM 0 HG23 THR A 39 -4.889 -8.902 31.663 1.00 73.42 H new ATOM 620 N VAL A 40 -0.780 -9.071 30.355 1.00 63.02 N ATOM 621 CA VAL A 40 -0.177 -8.486 29.144 1.00 0.10 C ATOM 622 C VAL A 40 0.119 -9.557 28.077 1.00 63.43 C ATOM 623 O VAL A 40 -0.250 -9.407 26.907 1.00 13.12 O ATOM 624 CB VAL A 40 1.128 -7.714 29.475 1.00 22.55 C ATOM 625 CG1 VAL A 40 1.776 -7.159 28.206 1.00 41.40 C ATOM 626 CG2 VAL A 40 0.850 -6.590 30.472 1.00 32.22 C ATOM 0 H VAL A 40 -0.229 -8.941 31.204 1.00 63.02 H new ATOM 0 HA VAL A 40 -0.910 -7.787 28.742 1.00 0.10 H new ATOM 0 HB VAL A 40 1.827 -8.415 29.931 1.00 22.55 H new ATOM 0 HG11 VAL A 40 2.688 -6.623 28.468 1.00 41.40 H new ATOM 0 HG12 VAL A 40 2.019 -7.981 27.532 1.00 41.40 H new ATOM 0 HG13 VAL A 40 1.084 -6.477 27.712 1.00 41.40 H new ATOM 0 HG21 VAL A 40 1.777 -6.061 30.691 1.00 32.22 H new ATOM 0 HG22 VAL A 40 0.128 -5.895 30.044 1.00 32.22 H new ATOM 0 HG23 VAL A 40 0.447 -7.012 31.393 1.00 32.22 H new ATOM 636 N ASP A 41 0.788 -10.633 28.485 1.00 72.04 N ATOM 637 CA ASP A 41 1.086 -11.751 27.584 1.00 13.53 C ATOM 638 C ASP A 41 -0.209 -12.357 27.012 1.00 74.32 C ATOM 639 O ASP A 41 -0.265 -12.753 25.846 1.00 11.14 O ATOM 640 CB ASP A 41 1.888 -12.823 28.329 1.00 73.51 C ATOM 641 CG ASP A 41 3.104 -12.251 29.037 1.00 32.45 C ATOM 642 OD1 ASP A 41 2.933 -11.646 30.113 1.00 13.32 O ATOM 643 OD2 ASP A 41 4.235 -12.416 28.537 1.00 4.42 O ATOM 0 H ASP A 41 1.136 -10.757 29.436 1.00 72.04 H new ATOM 0 HA ASP A 41 1.680 -11.373 26.752 1.00 13.53 H new ATOM 0 HB2 ASP A 41 1.243 -13.313 29.059 1.00 73.51 H new ATOM 0 HB3 ASP A 41 2.209 -13.589 27.623 1.00 73.51 H new ATOM 648 N GLY A 42 -1.249 -12.416 27.846 1.00 70.14 N ATOM 649 CA GLY A 42 -2.549 -12.913 27.412 1.00 52.21 C ATOM 650 C GLY A 42 -3.222 -12.002 26.388 1.00 1.51 C ATOM 651 O GLY A 42 -3.776 -12.477 25.396 1.00 54.22 O ATOM 0 H GLY A 42 -1.213 -12.126 28.823 1.00 70.14 H new ATOM 0 HA2 GLY A 42 -2.427 -13.907 26.982 1.00 52.21 H new ATOM 0 HA3 GLY A 42 -3.200 -13.019 28.280 1.00 52.21 H new ATOM 655 N ALA A 43 -3.171 -10.688 26.628 1.00 63.04 N ATOM 656 CA ALA A 43 -3.723 -9.698 25.689 1.00 71.41 C ATOM 657 C ALA A 43 -3.113 -9.867 24.290 1.00 33.51 C ATOM 658 O ALA A 43 -3.788 -9.680 23.272 1.00 24.20 O ATOM 659 CB ALA A 43 -3.480 -8.283 26.208 1.00 11.45 C ATOM 0 H ALA A 43 -2.753 -10.282 27.465 1.00 63.04 H new ATOM 0 HA ALA A 43 -4.797 -9.864 25.612 1.00 71.41 H new ATOM 0 HB1 ALA A 43 -3.893 -7.561 25.504 1.00 11.45 H new ATOM 0 HB2 ALA A 43 -3.964 -8.163 27.177 1.00 11.45 H new ATOM 0 HB3 ALA A 43 -2.409 -8.113 26.314 1.00 11.45 H new ATOM 665 N PHE A 44 -1.829 -10.221 24.256 1.00 32.40 N ATOM 666 CA PHE A 44 -1.143 -10.545 23.003 1.00 55.12 C ATOM 667 C PHE A 44 -1.828 -11.729 22.306 1.00 20.30 C ATOM 668 O PHE A 44 -2.154 -11.668 21.118 1.00 65.25 O ATOM 669 CB PHE A 44 0.329 -10.883 23.286 1.00 24.04 C ATOM 670 CG PHE A 44 1.136 -11.199 22.050 1.00 2.14 C ATOM 671 CD1 PHE A 44 1.177 -12.487 21.532 1.00 61.21 C ATOM 672 CD2 PHE A 44 1.852 -10.204 21.405 1.00 72.54 C ATOM 673 CE1 PHE A 44 1.914 -12.770 20.398 1.00 51.03 C ATOM 674 CE2 PHE A 44 2.591 -10.483 20.274 1.00 60.25 C ATOM 675 CZ PHE A 44 2.622 -11.767 19.767 1.00 61.23 C ATOM 0 H PHE A 44 -1.239 -10.291 25.085 1.00 32.40 H new ATOM 0 HA PHE A 44 -1.192 -9.678 22.344 1.00 55.12 H new ATOM 0 HB2 PHE A 44 0.791 -10.042 23.804 1.00 24.04 H new ATOM 0 HB3 PHE A 44 0.371 -11.736 23.963 1.00 24.04 H new ATOM 0 HD1 PHE A 44 0.626 -13.277 22.021 1.00 61.21 H new ATOM 0 HD2 PHE A 44 1.831 -9.196 21.793 1.00 72.54 H new ATOM 0 HE1 PHE A 44 1.936 -13.776 20.005 1.00 51.03 H new ATOM 0 HE2 PHE A 44 3.146 -9.696 19.785 1.00 60.25 H new ATOM 0 HZ PHE A 44 3.198 -11.986 18.880 1.00 61.23 H new ATOM 685 N LEU A 45 -2.039 -12.805 23.065 1.00 74.12 N ATOM 686 CA LEU A 45 -2.698 -14.014 22.555 1.00 75.02 C ATOM 687 C LEU A 45 -4.101 -13.707 22.008 1.00 61.11 C ATOM 688 O LEU A 45 -4.515 -14.263 20.990 1.00 0.42 O ATOM 689 CB LEU A 45 -2.780 -15.069 23.667 1.00 40.00 C ATOM 690 CG LEU A 45 -1.422 -15.552 24.205 1.00 10.20 C ATOM 691 CD1 LEU A 45 -1.608 -16.442 25.432 1.00 13.34 C ATOM 692 CD2 LEU A 45 -0.651 -16.292 23.113 1.00 13.30 C ATOM 0 H LEU A 45 -1.761 -12.866 24.045 1.00 74.12 H new ATOM 0 HA LEU A 45 -2.101 -14.401 21.729 1.00 75.02 H new ATOM 0 HB2 LEU A 45 -3.357 -14.658 24.495 1.00 40.00 H new ATOM 0 HB3 LEU A 45 -3.332 -15.930 23.290 1.00 40.00 H new ATOM 0 HG LEU A 45 -0.843 -14.679 24.507 1.00 10.20 H new ATOM 0 HD11 LEU A 45 -0.634 -16.771 25.794 1.00 13.34 H new ATOM 0 HD12 LEU A 45 -2.115 -15.880 26.216 1.00 13.34 H new ATOM 0 HD13 LEU A 45 -2.208 -17.312 25.163 1.00 13.34 H new ATOM 0 HD21 LEU A 45 0.308 -16.628 23.508 1.00 13.30 H new ATOM 0 HD22 LEU A 45 -1.229 -17.155 22.781 1.00 13.30 H new ATOM 0 HD23 LEU A 45 -0.481 -15.622 22.270 1.00 13.30 H new ATOM 704 N VAL A 46 -4.827 -12.819 22.690 1.00 24.44 N ATOM 705 CA VAL A 46 -6.158 -12.396 22.238 1.00 1.31 C ATOM 706 C VAL A 46 -6.101 -11.777 20.829 1.00 63.41 C ATOM 707 O VAL A 46 -6.883 -12.141 19.951 1.00 71.45 O ATOM 708 CB VAL A 46 -6.800 -11.384 23.225 1.00 20.31 C ATOM 709 CG1 VAL A 46 -8.169 -10.917 22.727 1.00 23.42 C ATOM 710 CG2 VAL A 46 -6.913 -11.988 24.624 1.00 24.44 C ATOM 0 H VAL A 46 -4.518 -12.378 23.556 1.00 24.44 H new ATOM 0 HA VAL A 46 -6.778 -13.292 22.204 1.00 1.31 H new ATOM 0 HB VAL A 46 -6.148 -10.512 23.279 1.00 20.31 H new ATOM 0 HG11 VAL A 46 -8.593 -10.209 23.439 1.00 23.42 H new ATOM 0 HG12 VAL A 46 -8.057 -10.433 21.757 1.00 23.42 H new ATOM 0 HG13 VAL A 46 -8.833 -11.776 22.630 1.00 23.42 H new ATOM 0 HG21 VAL A 46 -7.365 -11.261 25.299 1.00 24.44 H new ATOM 0 HG22 VAL A 46 -7.534 -12.883 24.585 1.00 24.44 H new ATOM 0 HG23 VAL A 46 -5.920 -12.252 24.988 1.00 24.44 H new ATOM 720 N GLU A 47 -5.160 -10.855 20.614 1.00 51.01 N ATOM 721 CA GLU A 47 -4.982 -10.226 19.295 1.00 53.14 C ATOM 722 C GLU A 47 -4.543 -11.258 18.243 1.00 1.11 C ATOM 723 O GLU A 47 -5.072 -11.294 17.129 1.00 62.10 O ATOM 724 CB GLU A 47 -3.953 -9.090 19.372 1.00 12.31 C ATOM 725 CG GLU A 47 -4.345 -7.951 20.310 1.00 3.12 C ATOM 726 CD GLU A 47 -5.667 -7.297 19.934 1.00 13.22 C ATOM 727 OE1 GLU A 47 -5.762 -6.726 18.827 1.00 43.32 O ATOM 728 OE2 GLU A 47 -6.613 -7.352 20.745 1.00 35.23 O ATOM 0 H GLU A 47 -4.511 -10.526 21.329 1.00 51.01 H new ATOM 0 HA GLU A 47 -5.945 -9.813 18.993 1.00 53.14 H new ATOM 0 HB2 GLU A 47 -2.998 -9.502 19.698 1.00 12.31 H new ATOM 0 HB3 GLU A 47 -3.800 -8.685 18.372 1.00 12.31 H new ATOM 0 HG2 GLU A 47 -4.412 -8.334 21.328 1.00 3.12 H new ATOM 0 HG3 GLU A 47 -3.558 -7.196 20.304 1.00 3.12 H new ATOM 735 N ALA A 48 -3.578 -12.105 18.608 1.00 50.45 N ATOM 736 CA ALA A 48 -3.120 -13.185 17.726 1.00 35.41 C ATOM 737 C ALA A 48 -4.277 -14.130 17.360 1.00 31.35 C ATOM 738 O ALA A 48 -4.305 -14.712 16.271 1.00 61.32 O ATOM 739 CB ALA A 48 -1.981 -13.961 18.384 1.00 11.44 C ATOM 0 H ALA A 48 -3.098 -12.065 19.507 1.00 50.45 H new ATOM 0 HA ALA A 48 -2.750 -12.736 16.804 1.00 35.41 H new ATOM 0 HB1 ALA A 48 -1.652 -14.759 17.718 1.00 11.44 H new ATOM 0 HB2 ALA A 48 -1.148 -13.287 18.582 1.00 11.44 H new ATOM 0 HB3 ALA A 48 -2.329 -14.392 19.322 1.00 11.44 H new ATOM 745 N LEU A 49 -5.228 -14.272 18.280 1.00 51.25 N ATOM 746 CA LEU A 49 -6.445 -15.045 18.031 1.00 62.43 C ATOM 747 C LEU A 49 -7.410 -14.278 17.106 1.00 13.23 C ATOM 748 O LEU A 49 -7.958 -14.849 16.164 1.00 71.41 O ATOM 749 CB LEU A 49 -7.145 -15.373 19.358 1.00 70.22 C ATOM 750 CG LEU A 49 -8.431 -16.208 19.236 1.00 52.34 C ATOM 751 CD1 LEU A 49 -8.134 -17.582 18.640 1.00 4.44 C ATOM 752 CD2 LEU A 49 -9.124 -16.339 20.591 1.00 73.35 C ATOM 0 H LEU A 49 -5.179 -13.859 19.211 1.00 51.25 H new ATOM 0 HA LEU A 49 -6.159 -15.973 17.535 1.00 62.43 H new ATOM 0 HB2 LEU A 49 -6.443 -15.909 19.997 1.00 70.22 H new ATOM 0 HB3 LEU A 49 -7.386 -14.438 19.863 1.00 70.22 H new ATOM 0 HG LEU A 49 -9.109 -15.688 18.559 1.00 52.34 H new ATOM 0 HD11 LEU A 49 -9.059 -18.153 18.564 1.00 4.44 H new ATOM 0 HD12 LEU A 49 -7.699 -17.462 17.648 1.00 4.44 H new ATOM 0 HD13 LEU A 49 -7.431 -18.113 19.282 1.00 4.44 H new ATOM 0 HD21 LEU A 49 -10.031 -16.933 20.480 1.00 73.35 H new ATOM 0 HD22 LEU A 49 -8.453 -16.829 21.297 1.00 73.35 H new ATOM 0 HD23 LEU A 49 -9.383 -15.348 20.964 1.00 73.35 H new ATOM 764 N LYS A 50 -7.585 -12.978 17.373 1.00 50.13 N ATOM 765 CA LYS A 50 -8.531 -12.128 16.624 1.00 54.34 C ATOM 766 C LYS A 50 -8.323 -12.185 15.101 1.00 64.14 C ATOM 767 O LYS A 50 -9.289 -12.138 14.337 1.00 44.20 O ATOM 768 CB LYS A 50 -8.430 -10.670 17.094 1.00 62.32 C ATOM 769 CG LYS A 50 -9.057 -10.408 18.461 1.00 41.44 C ATOM 770 CD LYS A 50 -8.932 -8.939 18.858 1.00 22.35 C ATOM 771 CE LYS A 50 -9.710 -8.617 20.129 1.00 63.43 C ATOM 772 NZ LYS A 50 -11.168 -8.873 19.970 1.00 63.11 N ATOM 0 H LYS A 50 -7.080 -12.484 18.109 1.00 50.13 H new ATOM 0 HA LYS A 50 -9.524 -12.525 16.832 1.00 54.34 H new ATOM 0 HB2 LYS A 50 -7.379 -10.383 17.128 1.00 62.32 H new ATOM 0 HB3 LYS A 50 -8.912 -10.028 16.357 1.00 62.32 H new ATOM 0 HG2 LYS A 50 -10.109 -10.693 18.441 1.00 41.44 H new ATOM 0 HG3 LYS A 50 -8.572 -11.032 19.211 1.00 41.44 H new ATOM 0 HD2 LYS A 50 -7.881 -8.693 19.006 1.00 22.35 H new ATOM 0 HD3 LYS A 50 -9.295 -8.312 18.043 1.00 22.35 H new ATOM 0 HE2 LYS A 50 -9.324 -9.218 20.952 1.00 63.43 H new ATOM 0 HE3 LYS A 50 -9.552 -7.572 20.396 1.00 63.43 H new ATOM 0 HZ1 LYS A 50 -11.691 -8.385 20.725 1.00 63.11 H new ATOM 0 HZ2 LYS A 50 -11.484 -8.518 19.045 1.00 63.11 H new ATOM 0 HZ3 LYS A 50 -11.349 -9.895 20.029 1.00 63.11 H new ATOM 786 N ARG A 51 -7.067 -12.279 14.660 1.00 21.52 N ATOM 787 CA ARG A 51 -6.760 -12.338 13.221 1.00 3.04 C ATOM 788 C ARG A 51 -7.031 -13.737 12.623 1.00 43.42 C ATOM 789 O ARG A 51 -6.596 -14.047 11.511 1.00 23.32 O ATOM 790 CB ARG A 51 -5.310 -11.900 12.958 1.00 61.11 C ATOM 791 CG ARG A 51 -4.251 -12.742 13.666 1.00 15.12 C ATOM 792 CD ARG A 51 -2.839 -12.261 13.335 1.00 12.34 C ATOM 793 NE ARG A 51 -1.811 -13.092 13.961 1.00 12.43 N ATOM 794 CZ ARG A 51 -0.535 -13.007 13.691 1.00 13.32 C ATOM 795 NH1 ARG A 51 -0.100 -12.148 12.823 1.00 53.43 N ATOM 796 NH2 ARG A 51 0.309 -13.782 14.294 1.00 44.23 N ATOM 0 H ARG A 51 -6.249 -12.316 15.269 1.00 21.52 H new ATOM 0 HA ARG A 51 -7.431 -11.642 12.718 1.00 3.04 H new ATOM 0 HB2 ARG A 51 -5.124 -11.934 11.885 1.00 61.11 H new ATOM 0 HB3 ARG A 51 -5.196 -10.861 13.269 1.00 61.11 H new ATOM 0 HG2 ARG A 51 -4.409 -12.696 14.744 1.00 15.12 H new ATOM 0 HG3 ARG A 51 -4.359 -13.786 13.372 1.00 15.12 H new ATOM 0 HD2 ARG A 51 -2.699 -12.266 12.254 1.00 12.34 H new ATOM 0 HD3 ARG A 51 -2.721 -11.229 13.667 1.00 12.34 H new ATOM 0 HE ARG A 51 -2.109 -13.781 14.652 1.00 12.43 H new ATOM 0 HH11 ARG A 51 -0.755 -11.531 12.344 1.00 53.43 H new ATOM 0 HH12 ARG A 51 0.898 -12.089 12.619 1.00 53.43 H new ATOM 0 HH21 ARG A 51 -0.022 -14.460 14.981 1.00 44.23 H new ATOM 0 HH22 ARG A 51 1.305 -13.715 14.082 1.00 44.23 H new ATOM 810 N HIS A 52 -7.750 -14.574 13.371 1.00 64.35 N ATOM 811 CA HIS A 52 -8.254 -15.859 12.865 1.00 0.23 C ATOM 812 C HIS A 52 -9.782 -15.800 12.703 1.00 71.32 C ATOM 813 O HIS A 52 -10.489 -15.429 13.639 1.00 63.03 O ATOM 814 CB HIS A 52 -7.897 -17.005 13.827 1.00 33.44 C ATOM 815 CG HIS A 52 -6.444 -17.364 13.858 1.00 25.50 C ATOM 816 ND1 HIS A 52 -5.560 -16.835 14.771 1.00 64.04 N ATOM 817 CD2 HIS A 52 -5.729 -18.242 13.113 1.00 13.21 C ATOM 818 CE1 HIS A 52 -4.372 -17.371 14.591 1.00 50.02 C ATOM 819 NE2 HIS A 52 -4.444 -18.230 13.593 1.00 31.14 N ATOM 0 H HIS A 52 -8.001 -14.385 14.341 1.00 64.35 H new ATOM 0 HA HIS A 52 -7.786 -16.046 11.899 1.00 0.23 H new ATOM 0 HB2 HIS A 52 -8.211 -16.728 14.833 1.00 33.44 H new ATOM 0 HB3 HIS A 52 -8.470 -17.889 13.547 1.00 33.44 H new ATOM 0 HD1 HIS A 52 -5.790 -16.136 15.477 1.00 64.04 H new ATOM 0 HD2 HIS A 52 -6.102 -18.840 12.294 1.00 13.21 H new ATOM 0 HE1 HIS A 52 -3.485 -17.145 15.165 1.00 50.02 H new ATOM 828 N PRO A 53 -10.324 -16.187 11.531 1.00 72.02 N ATOM 829 CA PRO A 53 -11.786 -16.190 11.302 1.00 61.30 C ATOM 830 C PRO A 53 -12.535 -17.109 12.290 1.00 11.21 C ATOM 831 O PRO A 53 -13.732 -16.937 12.542 1.00 44.34 O ATOM 832 CB PRO A 53 -11.924 -16.706 9.854 1.00 34.33 C ATOM 833 CG PRO A 53 -10.630 -17.393 9.561 1.00 62.41 C ATOM 834 CD PRO A 53 -9.580 -16.655 10.347 1.00 34.21 C ATOM 0 HA PRO A 53 -12.225 -15.204 11.454 1.00 61.30 H new ATOM 0 HB2 PRO A 53 -12.765 -17.392 9.759 1.00 34.33 H new ATOM 0 HB3 PRO A 53 -12.101 -15.886 9.158 1.00 34.33 H new ATOM 0 HG2 PRO A 53 -10.671 -18.442 9.854 1.00 62.41 H new ATOM 0 HG3 PRO A 53 -10.408 -17.368 8.494 1.00 62.41 H new ATOM 0 HD2 PRO A 53 -8.750 -17.305 10.622 1.00 34.21 H new ATOM 0 HD3 PRO A 53 -9.160 -15.825 9.780 1.00 34.21 H new ATOM 842 N ASP A 54 -11.810 -18.075 12.856 1.00 44.24 N ATOM 843 CA ASP A 54 -12.371 -19.026 13.824 1.00 11.43 C ATOM 844 C ASP A 54 -12.479 -18.413 15.235 1.00 52.11 C ATOM 845 O ASP A 54 -13.111 -18.990 16.121 1.00 32.03 O ATOM 846 CB ASP A 54 -11.483 -20.273 13.889 1.00 21.10 C ATOM 847 CG ASP A 54 -11.019 -20.723 12.517 1.00 30.23 C ATOM 848 OD1 ASP A 54 -10.023 -20.160 12.016 1.00 3.22 O ATOM 849 OD2 ASP A 54 -11.634 -21.642 11.939 1.00 60.11 O ATOM 0 H ASP A 54 -10.820 -18.222 12.659 1.00 44.24 H new ATOM 0 HA ASP A 54 -13.375 -19.286 13.488 1.00 11.43 H new ATOM 0 HB2 ASP A 54 -10.614 -20.065 14.514 1.00 21.10 H new ATOM 0 HB3 ASP A 54 -12.033 -21.083 14.368 1.00 21.10 H new ATOM 854 N ALA A 55 -11.859 -17.246 15.433 1.00 5.32 N ATOM 855 CA ALA A 55 -11.771 -16.607 16.756 1.00 22.24 C ATOM 856 C ALA A 55 -13.122 -16.566 17.489 1.00 0.14 C ATOM 857 O ALA A 55 -13.226 -17.002 18.634 1.00 12.54 O ATOM 858 CB ALA A 55 -11.210 -15.196 16.616 1.00 70.44 C ATOM 0 H ALA A 55 -11.405 -16.718 14.688 1.00 5.32 H new ATOM 0 HA ALA A 55 -11.100 -17.216 17.361 1.00 22.24 H new ATOM 0 HB1 ALA A 55 -11.148 -14.730 17.599 1.00 70.44 H new ATOM 0 HB2 ALA A 55 -10.215 -15.242 16.173 1.00 70.44 H new ATOM 0 HB3 ALA A 55 -11.865 -14.606 15.975 1.00 70.44 H new ATOM 864 N THR A 56 -14.153 -16.070 16.809 1.00 12.32 N ATOM 865 CA THR A 56 -15.483 -15.881 17.419 1.00 23.41 C ATOM 866 C THR A 56 -16.011 -17.150 18.118 1.00 13.14 C ATOM 867 O THR A 56 -16.663 -17.068 19.162 1.00 64.22 O ATOM 868 CB THR A 56 -16.523 -15.417 16.367 1.00 23.50 C ATOM 869 OG1 THR A 56 -17.814 -15.242 16.975 1.00 74.45 O ATOM 870 CG2 THR A 56 -16.630 -16.419 15.220 1.00 52.10 C ATOM 0 H THR A 56 -14.100 -15.788 15.830 1.00 12.32 H new ATOM 0 HA THR A 56 -15.350 -15.108 18.176 1.00 23.41 H new ATOM 0 HB THR A 56 -16.183 -14.462 15.966 1.00 23.50 H new ATOM 0 HG1 THR A 56 -18.458 -14.948 16.297 1.00 74.45 H new ATOM 0 HG21 THR A 56 -17.367 -16.068 14.497 1.00 52.10 H new ATOM 0 HG22 THR A 56 -15.661 -16.518 14.731 1.00 52.10 H new ATOM 0 HG23 THR A 56 -16.939 -17.388 15.611 1.00 52.10 H new ATOM 878 N SER A 57 -15.709 -18.322 17.556 1.00 41.34 N ATOM 879 CA SER A 57 -16.186 -19.599 18.117 1.00 53.02 C ATOM 880 C SER A 57 -15.380 -20.010 19.359 1.00 71.12 C ATOM 881 O SER A 57 -15.902 -20.671 20.258 1.00 63.14 O ATOM 882 CB SER A 57 -16.113 -20.713 17.062 1.00 22.33 C ATOM 883 OG SER A 57 -14.773 -20.959 16.663 1.00 64.41 O ATOM 0 H SER A 57 -15.139 -18.419 16.716 1.00 41.34 H new ATOM 0 HA SER A 57 -17.224 -19.453 18.417 1.00 53.02 H new ATOM 0 HB2 SER A 57 -16.548 -21.627 17.465 1.00 22.33 H new ATOM 0 HB3 SER A 57 -16.708 -20.433 16.193 1.00 22.33 H new ATOM 0 HG SER A 57 -14.221 -20.177 16.872 1.00 64.41 H new ATOM 889 N LYS A 58 -14.107 -19.619 19.403 1.00 54.13 N ATOM 890 CA LYS A 58 -13.238 -19.925 20.551 1.00 72.23 C ATOM 891 C LYS A 58 -13.418 -18.901 21.682 1.00 42.41 C ATOM 892 O LYS A 58 -13.233 -19.215 22.855 1.00 52.24 O ATOM 893 CB LYS A 58 -11.767 -19.962 20.108 1.00 41.23 C ATOM 894 CG LYS A 58 -11.443 -21.104 19.151 1.00 23.14 C ATOM 895 CD LYS A 58 -9.986 -21.074 18.694 1.00 11.13 C ATOM 896 CE LYS A 58 -9.633 -22.293 17.844 1.00 1.23 C ATOM 897 NZ LYS A 58 -10.438 -22.369 16.595 1.00 4.43 N ATOM 0 H LYS A 58 -13.650 -19.090 18.660 1.00 54.13 H new ATOM 0 HA LYS A 58 -13.526 -20.904 20.933 1.00 72.23 H new ATOM 0 HB2 LYS A 58 -11.518 -19.016 19.628 1.00 41.23 H new ATOM 0 HB3 LYS A 58 -11.133 -20.049 20.991 1.00 41.23 H new ATOM 0 HG2 LYS A 58 -11.650 -22.056 19.640 1.00 23.14 H new ATOM 0 HG3 LYS A 58 -12.097 -21.044 18.281 1.00 23.14 H new ATOM 0 HD2 LYS A 58 -9.804 -20.166 18.120 1.00 11.13 H new ATOM 0 HD3 LYS A 58 -9.332 -21.037 19.565 1.00 11.13 H new ATOM 0 HE2 LYS A 58 -8.574 -22.259 17.588 1.00 1.23 H new ATOM 0 HE3 LYS A 58 -9.791 -23.199 18.430 1.00 1.23 H new ATOM 0 HZ1 LYS A 58 -9.948 -22.970 15.902 1.00 4.43 H new ATOM 0 HZ2 LYS A 58 -11.371 -22.776 16.808 1.00 4.43 H new ATOM 0 HZ3 LYS A 58 -10.559 -21.414 16.201 1.00 4.43 H new ATOM 911 N ILE A 59 -13.771 -17.674 21.314 1.00 74.21 N ATOM 912 CA ILE A 59 -14.008 -16.602 22.288 1.00 24.34 C ATOM 913 C ILE A 59 -15.394 -16.736 22.944 1.00 32.22 C ATOM 914 O ILE A 59 -15.541 -16.569 24.159 1.00 42.23 O ATOM 915 CB ILE A 59 -13.900 -15.211 21.605 1.00 40.31 C ATOM 916 CG1 ILE A 59 -12.505 -15.030 20.981 1.00 51.33 C ATOM 917 CG2 ILE A 59 -14.201 -14.087 22.601 1.00 20.23 C ATOM 918 CD1 ILE A 59 -12.348 -13.752 20.183 1.00 63.31 C ATOM 0 H ILE A 59 -13.901 -17.391 20.343 1.00 74.21 H new ATOM 0 HA ILE A 59 -13.244 -16.691 23.061 1.00 24.34 H new ATOM 0 HB ILE A 59 -14.644 -15.160 20.810 1.00 40.31 H new ATOM 0 HG12 ILE A 59 -11.758 -15.044 21.775 1.00 51.33 H new ATOM 0 HG13 ILE A 59 -12.296 -15.880 20.331 1.00 51.33 H new ATOM 0 HG21 ILE A 59 -14.119 -13.123 22.098 1.00 20.23 H new ATOM 0 HG22 ILE A 59 -15.212 -14.208 22.991 1.00 20.23 H new ATOM 0 HG23 ILE A 59 -13.487 -14.129 23.424 1.00 20.23 H new ATOM 0 HD11 ILE A 59 -11.338 -13.699 19.776 1.00 63.31 H new ATOM 0 HD12 ILE A 59 -13.069 -13.742 19.366 1.00 63.31 H new ATOM 0 HD13 ILE A 59 -12.523 -12.894 20.832 1.00 63.31 H new ATOM 930 N GLY A 60 -16.407 -17.037 22.131 1.00 64.43 N ATOM 931 CA GLY A 60 -17.776 -17.108 22.631 1.00 3.42 C ATOM 932 C GLY A 60 -18.248 -15.782 23.228 1.00 44.04 C ATOM 933 O GLY A 60 -18.089 -14.732 22.602 1.00 43.20 O ATOM 0 H GLY A 60 -16.306 -17.233 21.135 1.00 64.43 H new ATOM 0 HA2 GLY A 60 -18.443 -17.395 21.818 1.00 3.42 H new ATOM 0 HA3 GLY A 60 -17.843 -17.889 23.389 1.00 3.42 H new ATOM 937 N PRO A 61 -18.828 -15.793 24.441 1.00 23.32 N ATOM 938 CA PRO A 61 -19.270 -14.565 25.120 1.00 63.02 C ATOM 939 C PRO A 61 -18.110 -13.740 25.714 1.00 71.01 C ATOM 940 O PRO A 61 -18.283 -12.564 26.040 1.00 34.33 O ATOM 941 CB PRO A 61 -20.181 -15.100 26.232 1.00 53.22 C ATOM 942 CG PRO A 61 -19.619 -16.444 26.551 1.00 24.34 C ATOM 943 CD PRO A 61 -19.118 -17.000 25.240 1.00 63.01 C ATOM 0 HA PRO A 61 -19.757 -13.876 24.431 1.00 63.02 H new ATOM 0 HB2 PRO A 61 -20.170 -14.447 27.104 1.00 53.22 H new ATOM 0 HB3 PRO A 61 -21.217 -15.170 25.899 1.00 53.22 H new ATOM 0 HG2 PRO A 61 -18.811 -16.368 27.278 1.00 24.34 H new ATOM 0 HG3 PRO A 61 -20.379 -17.093 26.986 1.00 24.34 H new ATOM 0 HD2 PRO A 61 -18.227 -17.613 25.378 1.00 63.01 H new ATOM 0 HD3 PRO A 61 -19.867 -17.629 24.759 1.00 63.01 H new ATOM 951 N GLY A 62 -16.931 -14.355 25.855 1.00 2.31 N ATOM 952 CA GLY A 62 -15.780 -13.649 26.413 1.00 33.44 C ATOM 953 C GLY A 62 -14.657 -14.573 26.885 1.00 34.42 C ATOM 954 O GLY A 62 -14.900 -15.712 27.300 1.00 33.10 O ATOM 0 H GLY A 62 -16.753 -15.325 25.594 1.00 2.31 H new ATOM 0 HA2 GLY A 62 -15.384 -12.967 25.660 1.00 33.44 H new ATOM 0 HA3 GLY A 62 -16.112 -13.039 27.253 1.00 33.44 H new ATOM 958 N VAL A 63 -13.422 -14.070 26.830 1.00 5.34 N ATOM 959 CA VAL A 63 -12.238 -14.823 27.266 1.00 24.22 C ATOM 960 C VAL A 63 -11.956 -14.598 28.762 1.00 13.12 C ATOM 961 O VAL A 63 -11.759 -13.465 29.201 1.00 12.03 O ATOM 962 CB VAL A 63 -10.984 -14.413 26.442 1.00 72.31 C ATOM 963 CG1 VAL A 63 -9.741 -15.181 26.897 1.00 61.25 C ATOM 964 CG2 VAL A 63 -11.229 -14.615 24.945 1.00 10.33 C ATOM 0 H VAL A 63 -13.212 -13.134 26.484 1.00 5.34 H new ATOM 0 HA VAL A 63 -12.448 -15.879 27.099 1.00 24.22 H new ATOM 0 HB VAL A 63 -10.802 -13.353 26.621 1.00 72.31 H new ATOM 0 HG11 VAL A 63 -8.883 -14.871 26.301 1.00 61.25 H new ATOM 0 HG12 VAL A 63 -9.548 -14.970 27.949 1.00 61.25 H new ATOM 0 HG13 VAL A 63 -9.906 -16.250 26.766 1.00 61.25 H new ATOM 0 HG21 VAL A 63 -10.339 -14.322 24.388 1.00 10.33 H new ATOM 0 HG22 VAL A 63 -11.449 -15.665 24.751 1.00 10.33 H new ATOM 0 HG23 VAL A 63 -12.073 -14.002 24.629 1.00 10.33 H new ATOM 974 N ARG A 64 -11.941 -15.680 29.537 1.00 41.21 N ATOM 975 CA ARG A 64 -11.672 -15.604 30.980 1.00 31.24 C ATOM 976 C ARG A 64 -10.163 -15.428 31.256 1.00 20.13 C ATOM 977 O ARG A 64 -9.747 -14.451 31.880 1.00 14.20 O ATOM 978 CB ARG A 64 -12.211 -16.867 31.679 1.00 70.33 C ATOM 979 CG ARG A 64 -12.042 -16.864 33.196 1.00 43.21 C ATOM 980 CD ARG A 64 -12.818 -15.733 33.859 1.00 32.10 C ATOM 981 NE ARG A 64 -12.546 -15.655 35.291 1.00 20.13 N ATOM 982 CZ ARG A 64 -12.847 -14.628 36.038 1.00 75.14 C ATOM 983 NH1 ARG A 64 -13.447 -13.602 35.534 1.00 12.33 N ATOM 984 NH2 ARG A 64 -12.547 -14.620 37.292 1.00 75.52 N ATOM 0 H ARG A 64 -12.112 -16.625 29.193 1.00 41.21 H new ATOM 0 HA ARG A 64 -12.185 -14.730 31.383 1.00 31.24 H new ATOM 0 HB2 ARG A 64 -13.270 -16.975 31.443 1.00 70.33 H new ATOM 0 HB3 ARG A 64 -11.702 -17.740 31.270 1.00 70.33 H new ATOM 0 HG2 ARG A 64 -12.379 -17.819 33.599 1.00 43.21 H new ATOM 0 HG3 ARG A 64 -10.984 -16.770 33.442 1.00 43.21 H new ATOM 0 HD2 ARG A 64 -12.555 -14.786 33.387 1.00 32.10 H new ATOM 0 HD3 ARG A 64 -13.886 -15.883 33.700 1.00 32.10 H new ATOM 0 HE ARG A 64 -12.092 -16.453 35.736 1.00 20.13 H new ATOM 0 HH11 ARG A 64 -13.690 -13.589 34.543 1.00 12.33 H new ATOM 0 HH12 ARG A 64 -13.678 -12.804 36.126 1.00 12.33 H new ATOM 0 HH21 ARG A 64 -12.071 -15.421 37.708 1.00 75.52 H new ATOM 0 HH22 ARG A 64 -12.786 -13.813 37.868 1.00 75.52 H new ATOM 998 N ASN A 65 -9.354 -16.381 30.790 1.00 42.50 N ATOM 999 CA ASN A 65 -7.886 -16.297 30.905 1.00 62.01 C ATOM 1000 C ASN A 65 -7.201 -17.339 30.003 1.00 55.50 C ATOM 1001 O ASN A 65 -7.866 -18.064 29.263 1.00 51.23 O ATOM 1002 CB ASN A 65 -7.421 -16.477 32.363 1.00 13.04 C ATOM 1003 CG ASN A 65 -7.870 -17.791 32.975 1.00 22.25 C ATOM 1004 OD1 ASN A 65 -8.911 -17.750 33.775 1.00 72.44 O flip ATOM 1005 ND2 ASN A 65 -7.257 -18.829 32.769 1.00 51.35 N flip ATOM 0 H ASN A 65 -9.687 -17.226 30.326 1.00 42.50 H new ATOM 0 HA ASN A 65 -7.595 -15.300 30.574 1.00 62.01 H new ATOM 0 HB2 ASN A 65 -6.333 -16.419 32.401 1.00 13.04 H new ATOM 0 HB3 ASN A 65 -7.805 -15.653 32.965 1.00 13.04 H new ATOM 0 HD21 ASN A 65 -6.452 -18.830 32.142 1.00 51.35 H new ATOM 0 HD22 ASN A 65 -7.551 -19.694 33.224 1.00 51.35 H new ATOM 1012 N PHE A 66 -5.870 -17.401 30.064 1.00 72.23 N ATOM 1013 CA PHE A 66 -5.090 -18.365 29.270 1.00 15.21 C ATOM 1014 C PHE A 66 -4.261 -19.298 30.169 1.00 60.20 C ATOM 1015 O PHE A 66 -3.587 -18.847 31.096 1.00 41.24 O ATOM 1016 CB PHE A 66 -4.157 -17.629 28.295 1.00 55.15 C ATOM 1017 CG PHE A 66 -4.877 -16.905 27.186 1.00 24.31 C ATOM 1018 CD1 PHE A 66 -5.392 -15.633 27.386 1.00 2.32 C ATOM 1019 CD2 PHE A 66 -5.031 -17.497 25.940 1.00 60.43 C ATOM 1020 CE1 PHE A 66 -6.044 -14.967 26.367 1.00 74.14 C ATOM 1021 CE2 PHE A 66 -5.683 -16.835 24.917 1.00 51.05 C ATOM 1022 CZ PHE A 66 -6.190 -15.569 25.130 1.00 42.43 C ATOM 0 H PHE A 66 -5.303 -16.794 30.656 1.00 72.23 H new ATOM 0 HA PHE A 66 -5.799 -18.971 28.707 1.00 15.21 H new ATOM 0 HB2 PHE A 66 -3.557 -16.911 28.854 1.00 55.15 H new ATOM 0 HB3 PHE A 66 -3.466 -18.349 27.856 1.00 55.15 H new ATOM 0 HD1 PHE A 66 -5.282 -15.158 28.350 1.00 2.32 H new ATOM 0 HD2 PHE A 66 -4.636 -18.487 25.768 1.00 60.43 H new ATOM 0 HE1 PHE A 66 -6.440 -13.976 26.536 1.00 74.14 H new ATOM 0 HE2 PHE A 66 -5.796 -17.307 23.952 1.00 51.05 H new ATOM 0 HZ PHE A 66 -6.700 -15.049 24.332 1.00 42.43 H new ATOM 1032 N GLU A 67 -4.306 -20.597 29.878 1.00 4.30 N ATOM 1033 CA GLU A 67 -3.549 -21.600 30.639 1.00 4.12 C ATOM 1034 C GLU A 67 -2.574 -22.355 29.721 1.00 51.15 C ATOM 1035 O GLU A 67 -2.872 -22.599 28.553 1.00 1.34 O ATOM 1036 CB GLU A 67 -4.515 -22.584 31.316 1.00 33.35 C ATOM 1037 CG GLU A 67 -3.836 -23.613 32.213 1.00 1.03 C ATOM 1038 CD GLU A 67 -4.835 -24.471 32.970 1.00 24.41 C ATOM 1039 OE1 GLU A 67 -5.382 -25.425 32.378 1.00 15.24 O ATOM 1040 OE2 GLU A 67 -5.085 -24.192 34.163 1.00 33.02 O ATOM 0 H GLU A 67 -4.862 -20.985 29.116 1.00 4.30 H new ATOM 0 HA GLU A 67 -2.968 -21.089 31.407 1.00 4.12 H new ATOM 0 HB2 GLU A 67 -5.233 -22.019 31.910 1.00 33.35 H new ATOM 0 HB3 GLU A 67 -5.081 -23.108 30.545 1.00 33.35 H new ATOM 0 HG2 GLU A 67 -3.197 -24.254 31.606 1.00 1.03 H new ATOM 0 HG3 GLU A 67 -3.189 -23.100 32.925 1.00 1.03 H new ATOM 1047 N VAL A 68 -1.407 -22.716 30.246 1.00 10.14 N ATOM 1048 CA VAL A 68 -0.376 -23.384 29.442 1.00 44.15 C ATOM 1049 C VAL A 68 -0.323 -24.898 29.712 1.00 53.13 C ATOM 1050 O VAL A 68 -0.432 -25.343 30.854 1.00 52.32 O ATOM 1051 CB VAL A 68 1.023 -22.771 29.713 1.00 64.32 C ATOM 1052 CG1 VAL A 68 2.089 -23.427 28.836 1.00 61.53 C ATOM 1053 CG2 VAL A 68 1.003 -21.260 29.496 1.00 14.22 C ATOM 0 H VAL A 68 -1.147 -22.560 31.220 1.00 10.14 H new ATOM 0 HA VAL A 68 -0.648 -23.228 28.398 1.00 44.15 H new ATOM 0 HB VAL A 68 1.277 -22.964 30.755 1.00 64.32 H new ATOM 0 HG11 VAL A 68 3.060 -22.978 29.046 1.00 61.53 H new ATOM 0 HG12 VAL A 68 2.129 -24.495 29.049 1.00 61.53 H new ATOM 0 HG13 VAL A 68 1.840 -23.276 27.786 1.00 61.53 H new ATOM 0 HG21 VAL A 68 1.994 -20.851 29.692 1.00 14.22 H new ATOM 0 HG22 VAL A 68 0.718 -21.044 28.466 1.00 14.22 H new ATOM 0 HG23 VAL A 68 0.282 -20.804 30.175 1.00 14.22 H new ATOM 1063 N ARG A 69 -0.172 -25.680 28.643 1.00 23.02 N ATOM 1064 CA ARG A 69 0.058 -27.132 28.739 1.00 33.01 C ATOM 1065 C ARG A 69 1.045 -27.593 27.658 1.00 43.15 C ATOM 1066 O ARG A 69 1.559 -26.784 26.884 1.00 21.53 O ATOM 1067 CB ARG A 69 -1.251 -27.919 28.571 1.00 4.24 C ATOM 1068 CG ARG A 69 -2.237 -27.801 29.727 1.00 24.21 C ATOM 1069 CD ARG A 69 -3.460 -28.675 29.478 1.00 5.13 C ATOM 1070 NE ARG A 69 -4.452 -28.571 30.542 1.00 52.54 N ATOM 1071 CZ ARG A 69 -5.677 -28.169 30.353 1.00 44.32 C ATOM 1072 NH1 ARG A 69 -6.047 -27.734 29.196 1.00 3.42 N ATOM 1073 NH2 ARG A 69 -6.529 -28.187 31.323 1.00 32.05 N ATOM 0 H ARG A 69 -0.205 -25.331 27.685 1.00 23.02 H new ATOM 0 HA ARG A 69 0.469 -27.327 29.729 1.00 33.01 H new ATOM 0 HB2 ARG A 69 -1.744 -27.581 27.659 1.00 4.24 H new ATOM 0 HB3 ARG A 69 -1.007 -28.972 28.430 1.00 4.24 H new ATOM 0 HG2 ARG A 69 -1.753 -28.099 30.657 1.00 24.21 H new ATOM 0 HG3 ARG A 69 -2.544 -26.762 29.846 1.00 24.21 H new ATOM 0 HD2 ARG A 69 -3.918 -28.390 28.531 1.00 5.13 H new ATOM 0 HD3 ARG A 69 -3.145 -29.714 29.381 1.00 5.13 H new ATOM 0 HE ARG A 69 -4.171 -28.828 31.488 1.00 52.54 H new ATOM 0 HH11 ARG A 69 -5.380 -27.704 28.425 1.00 3.42 H new ATOM 0 HH12 ARG A 69 -7.007 -27.420 29.052 1.00 3.42 H new ATOM 0 HH21 ARG A 69 -6.245 -28.518 32.245 1.00 32.05 H new ATOM 0 HH22 ARG A 69 -7.486 -27.871 31.167 1.00 32.05 H new ATOM 1087 N SER A 70 1.301 -28.899 27.605 1.00 54.21 N ATOM 1088 CA SER A 70 2.102 -29.491 26.525 1.00 43.34 C ATOM 1089 C SER A 70 1.192 -29.934 25.367 1.00 73.15 C ATOM 1090 O SER A 70 -0.035 -29.834 25.459 1.00 71.34 O ATOM 1091 CB SER A 70 2.916 -30.684 27.047 1.00 21.24 C ATOM 1092 OG SER A 70 2.074 -31.715 27.543 1.00 64.11 O ATOM 0 H SER A 70 0.967 -29.571 28.296 1.00 54.21 H new ATOM 0 HA SER A 70 2.795 -28.735 26.157 1.00 43.34 H new ATOM 0 HB2 SER A 70 3.540 -31.078 26.245 1.00 21.24 H new ATOM 0 HB3 SER A 70 3.587 -30.349 27.838 1.00 21.24 H new ATOM 0 HG SER A 70 2.624 -32.459 27.866 1.00 64.11 H new ATOM 1162 N GLN A 76 4.708 -27.193 23.547 1.00 70.23 N ATOM 1163 CA GLN A 76 3.675 -26.668 24.447 1.00 72.03 C ATOM 1164 C GLN A 76 2.557 -25.980 23.643 1.00 43.22 C ATOM 1165 O GLN A 76 2.641 -25.866 22.419 1.00 5.51 O ATOM 1166 CB GLN A 76 4.290 -25.681 25.454 1.00 33.13 C ATOM 1167 CG GLN A 76 5.051 -26.336 26.604 1.00 43.15 C ATOM 1168 CD GLN A 76 5.802 -25.324 27.458 1.00 54.42 C ATOM 1169 OE1 GLN A 76 6.982 -25.066 27.244 1.00 50.42 O ATOM 1170 NE2 GLN A 76 5.119 -24.723 28.412 1.00 2.14 N ATOM 0 HA GLN A 76 3.243 -27.504 24.997 1.00 72.03 H new ATOM 0 HB2 GLN A 76 4.967 -25.014 24.921 1.00 33.13 H new ATOM 0 HB3 GLN A 76 3.494 -25.062 25.868 1.00 33.13 H new ATOM 0 HG2 GLN A 76 4.351 -26.887 27.231 1.00 43.15 H new ATOM 0 HG3 GLN A 76 5.757 -27.062 26.201 1.00 43.15 H new ATOM 0 HE21 GLN A 76 4.139 -24.960 28.564 1.00 2.14 H new ATOM 0 HE22 GLN A 76 5.571 -24.021 28.998 1.00 2.14 H new ATOM 1179 N CYS A 77 1.515 -25.518 24.332 1.00 12.42 N ATOM 1180 CA CYS A 77 0.379 -24.862 23.663 1.00 32.42 C ATOM 1181 C CYS A 77 -0.399 -23.949 24.621 1.00 32.15 C ATOM 1182 O CYS A 77 -0.425 -24.177 25.832 1.00 72.43 O ATOM 1183 CB CYS A 77 -0.570 -25.911 23.066 1.00 1.32 C ATOM 1184 SG CYS A 77 -1.985 -25.213 22.180 1.00 21.12 S ATOM 0 H CYS A 77 1.428 -25.582 25.346 1.00 12.42 H new ATOM 0 HA CYS A 77 0.788 -24.243 22.864 1.00 32.42 H new ATOM 0 HB2 CYS A 77 -0.007 -26.548 22.384 1.00 1.32 H new ATOM 0 HB3 CYS A 77 -0.938 -26.550 23.869 1.00 1.32 H new ATOM 0 HG CYS A 77 -2.344 -26.023 21.228 1.00 21.12 H new ATOM 1190 N PHE A 78 -1.035 -22.917 24.061 1.00 43.13 N ATOM 1191 CA PHE A 78 -1.852 -21.980 24.841 1.00 31.22 C ATOM 1192 C PHE A 78 -3.338 -22.380 24.805 1.00 71.40 C ATOM 1193 O PHE A 78 -3.931 -22.504 23.731 1.00 4.42 O ATOM 1194 CB PHE A 78 -1.700 -20.548 24.298 1.00 65.15 C ATOM 1195 CG PHE A 78 -0.307 -19.975 24.410 1.00 52.42 C ATOM 1196 CD1 PHE A 78 0.159 -19.483 25.621 1.00 13.31 C ATOM 1197 CD2 PHE A 78 0.529 -19.915 23.302 1.00 15.22 C ATOM 1198 CE1 PHE A 78 1.428 -18.944 25.724 1.00 13.23 C ATOM 1199 CE2 PHE A 78 1.797 -19.376 23.401 1.00 60.03 C ATOM 1200 CZ PHE A 78 2.247 -18.889 24.613 1.00 1.11 C ATOM 0 H PHE A 78 -1.000 -22.707 23.063 1.00 43.13 H new ATOM 0 HA PHE A 78 -1.500 -22.017 25.872 1.00 31.22 H new ATOM 0 HB2 PHE A 78 -1.999 -20.538 23.250 1.00 65.15 H new ATOM 0 HB3 PHE A 78 -2.390 -19.896 24.833 1.00 65.15 H new ATOM 0 HD1 PHE A 78 -0.477 -19.522 26.493 1.00 13.31 H new ATOM 0 HD2 PHE A 78 0.183 -20.294 22.352 1.00 15.22 H new ATOM 0 HE1 PHE A 78 1.779 -18.566 26.673 1.00 13.23 H new ATOM 0 HE2 PHE A 78 2.436 -19.335 22.531 1.00 60.03 H new ATOM 0 HZ PHE A 78 3.238 -18.466 24.692 1.00 1.11 H new ATOM 1210 N TRP A 79 -3.929 -22.571 25.983 1.00 34.32 N ATOM 1211 CA TRP A 79 -5.346 -22.940 26.103 1.00 73.12 C ATOM 1212 C TRP A 79 -6.202 -21.735 26.522 1.00 54.24 C ATOM 1213 O TRP A 79 -5.842 -20.985 27.432 1.00 15.15 O ATOM 1214 CB TRP A 79 -5.512 -24.079 27.118 1.00 52.14 C ATOM 1215 CG TRP A 79 -4.875 -25.364 26.679 1.00 64.25 C ATOM 1216 CD1 TRP A 79 -3.539 -25.643 26.623 1.00 2.33 C ATOM 1217 CD2 TRP A 79 -5.551 -26.550 26.247 1.00 33.40 C ATOM 1218 NE1 TRP A 79 -3.346 -26.927 26.173 1.00 32.33 N ATOM 1219 CE2 TRP A 79 -4.564 -27.505 25.938 1.00 24.51 C ATOM 1220 CE3 TRP A 79 -6.896 -26.894 26.090 1.00 12.14 C ATOM 1221 CZ2 TRP A 79 -4.880 -28.779 25.482 1.00 51.44 C ATOM 1222 CZ3 TRP A 79 -7.210 -28.161 25.640 1.00 22.21 C ATOM 1223 CH2 TRP A 79 -6.205 -29.091 25.339 1.00 51.54 C ATOM 0 H TRP A 79 -3.447 -22.476 26.877 1.00 34.32 H new ATOM 0 HA TRP A 79 -5.689 -23.277 25.125 1.00 73.12 H new ATOM 0 HB2 TRP A 79 -5.078 -23.774 28.070 1.00 52.14 H new ATOM 0 HB3 TRP A 79 -6.575 -24.249 27.292 1.00 52.14 H new ATOM 0 HD1 TRP A 79 -2.751 -24.956 26.893 1.00 2.33 H new ATOM 0 HE1 TRP A 79 -2.441 -27.377 26.036 1.00 32.33 H new ATOM 0 HE3 TRP A 79 -7.676 -26.182 26.316 1.00 12.14 H new ATOM 0 HZ2 TRP A 79 -4.108 -29.497 25.249 1.00 51.44 H new ATOM 0 HZ3 TRP A 79 -8.246 -28.440 25.518 1.00 22.21 H new ATOM 0 HH2 TRP A 79 -6.482 -30.074 24.987 1.00 51.54 H new ATOM 1234 N ILE A 80 -7.332 -21.560 25.845 1.00 52.14 N ATOM 1235 CA ILE A 80 -8.243 -20.441 26.107 1.00 5.20 C ATOM 1236 C ILE A 80 -9.365 -20.846 27.076 1.00 73.12 C ATOM 1237 O ILE A 80 -10.193 -21.704 26.759 1.00 24.25 O ATOM 1238 CB ILE A 80 -8.886 -19.937 24.791 1.00 21.14 C ATOM 1239 CG1 ILE A 80 -7.798 -19.633 23.749 1.00 43.30 C ATOM 1240 CG2 ILE A 80 -9.752 -18.700 25.048 1.00 34.54 C ATOM 1241 CD1 ILE A 80 -8.344 -19.272 22.382 1.00 11.21 C ATOM 0 H ILE A 80 -7.645 -22.184 25.102 1.00 52.14 H new ATOM 0 HA ILE A 80 -7.649 -19.646 26.558 1.00 5.20 H new ATOM 0 HB ILE A 80 -9.531 -20.723 24.399 1.00 21.14 H new ATOM 0 HG12 ILE A 80 -7.180 -18.812 24.112 1.00 43.30 H new ATOM 0 HG13 ILE A 80 -7.148 -20.502 23.652 1.00 43.30 H new ATOM 0 HG21 ILE A 80 -10.193 -18.364 24.110 1.00 34.54 H new ATOM 0 HG22 ILE A 80 -10.545 -18.951 25.753 1.00 34.54 H new ATOM 0 HG23 ILE A 80 -9.135 -17.904 25.465 1.00 34.54 H new ATOM 0 HD11 ILE A 80 -7.517 -19.071 21.701 1.00 11.21 H new ATOM 0 HD12 ILE A 80 -8.938 -20.101 21.997 1.00 11.21 H new ATOM 0 HD13 ILE A 80 -8.971 -18.384 22.463 1.00 11.21 H new ATOM 1253 N LEU A 81 -9.387 -20.230 28.255 1.00 14.31 N ATOM 1254 CA LEU A 81 -10.462 -20.464 29.226 1.00 75.13 C ATOM 1255 C LEU A 81 -11.664 -19.559 28.929 1.00 23.24 C ATOM 1256 O LEU A 81 -11.585 -18.340 29.071 1.00 2.15 O ATOM 1257 CB LEU A 81 -9.967 -20.229 30.667 1.00 43.41 C ATOM 1258 CG LEU A 81 -8.992 -21.285 31.223 1.00 23.14 C ATOM 1259 CD1 LEU A 81 -9.613 -22.674 31.173 1.00 0.35 C ATOM 1260 CD2 LEU A 81 -7.662 -21.260 30.476 1.00 5.35 C ATOM 0 H LEU A 81 -8.677 -19.566 28.564 1.00 14.31 H new ATOM 0 HA LEU A 81 -10.773 -21.505 29.134 1.00 75.13 H new ATOM 0 HB2 LEU A 81 -9.480 -19.255 30.709 1.00 43.41 H new ATOM 0 HB3 LEU A 81 -10.834 -20.181 31.325 1.00 43.41 H new ATOM 0 HG LEU A 81 -8.793 -21.036 32.265 1.00 23.14 H new ATOM 0 HD11 LEU A 81 -8.907 -23.403 31.570 1.00 0.35 H new ATOM 0 HD12 LEU A 81 -10.524 -22.687 31.772 1.00 0.35 H new ATOM 0 HD13 LEU A 81 -9.854 -22.928 30.141 1.00 0.35 H new ATOM 0 HD21 LEU A 81 -6.997 -22.016 30.892 1.00 5.35 H new ATOM 0 HD22 LEU A 81 -7.834 -21.469 29.420 1.00 5.35 H new ATOM 0 HD23 LEU A 81 -7.204 -20.276 30.581 1.00 5.35 H new ATOM 1272 N ARG A 82 -12.771 -20.158 28.506 1.00 64.10 N ATOM 1273 CA ARG A 82 -13.986 -19.410 28.173 1.00 54.33 C ATOM 1274 C ARG A 82 -14.829 -19.115 29.423 1.00 74.42 C ATOM 1275 O ARG A 82 -14.877 -19.921 30.357 1.00 10.20 O ATOM 1276 CB ARG A 82 -14.822 -20.203 27.164 1.00 11.30 C ATOM 1277 CG ARG A 82 -14.152 -20.381 25.804 1.00 52.30 C ATOM 1278 CD ARG A 82 -15.009 -21.222 24.863 1.00 14.50 C ATOM 1279 NE ARG A 82 -16.381 -20.726 24.788 1.00 3.04 N ATOM 1280 CZ ARG A 82 -17.249 -21.081 23.888 1.00 64.53 C ATOM 1281 NH1 ARG A 82 -16.940 -21.933 22.962 1.00 44.25 N ATOM 1282 NH2 ARG A 82 -18.441 -20.586 23.936 1.00 64.23 N ATOM 0 H ARG A 82 -12.856 -21.167 28.384 1.00 64.10 H new ATOM 0 HA ARG A 82 -13.684 -18.457 27.738 1.00 54.33 H new ATOM 0 HB2 ARG A 82 -15.040 -21.186 27.581 1.00 11.30 H new ATOM 0 HB3 ARG A 82 -15.778 -19.698 27.023 1.00 11.30 H new ATOM 0 HG2 ARG A 82 -13.970 -19.404 25.356 1.00 52.30 H new ATOM 0 HG3 ARG A 82 -13.180 -20.857 25.936 1.00 52.30 H new ATOM 0 HD2 ARG A 82 -14.566 -21.218 23.867 1.00 14.50 H new ATOM 0 HD3 ARG A 82 -15.015 -22.257 25.205 1.00 14.50 H new ATOM 0 HE ARG A 82 -16.680 -20.052 25.493 1.00 3.04 H new ATOM 0 HH11 ARG A 82 -16.003 -22.336 22.932 1.00 44.25 H new ATOM 0 HH12 ARG A 82 -17.633 -22.201 22.263 1.00 44.25 H new ATOM 0 HH21 ARG A 82 -18.690 -19.926 24.673 1.00 64.23 H new ATOM 0 HH22 ARG A 82 -19.133 -20.855 23.237 1.00 64.23 H new ATOM 1296 N THR A 83 -15.511 -17.969 29.431 1.00 62.42 N ATOM 1297 CA THR A 83 -16.384 -17.594 30.557 1.00 71.02 C ATOM 1298 C THR A 83 -17.574 -18.556 30.694 1.00 62.43 C ATOM 1299 O THR A 83 -18.238 -18.598 31.734 1.00 14.23 O ATOM 1300 CB THR A 83 -16.914 -16.148 30.419 1.00 51.23 C ATOM 1301 OG1 THR A 83 -17.626 -15.998 29.184 1.00 43.24 O ATOM 1302 CG2 THR A 83 -15.771 -15.136 30.479 1.00 4.24 C ATOM 0 H THR A 83 -15.480 -17.283 28.676 1.00 62.42 H new ATOM 0 HA THR A 83 -15.768 -17.658 31.454 1.00 71.02 H new ATOM 0 HB THR A 83 -17.590 -15.957 31.253 1.00 51.23 H new ATOM 0 HG1 THR A 83 -16.987 -15.875 28.451 1.00 43.24 H new ATOM 0 HG21 THR A 83 -16.172 -14.127 30.379 1.00 4.24 H new ATOM 0 HG22 THR A 83 -15.253 -15.228 31.434 1.00 4.24 H new ATOM 0 HG23 THR A 83 -15.071 -15.330 29.667 1.00 4.24 H new ATOM 1310 N ASP A 84 -17.837 -19.326 29.636 1.00 72.31 N ATOM 1311 CA ASP A 84 -18.851 -20.387 29.669 1.00 31.11 C ATOM 1312 C ASP A 84 -18.543 -21.429 30.759 1.00 24.32 C ATOM 1313 O ASP A 84 -19.450 -22.071 31.295 1.00 11.55 O ATOM 1314 CB ASP A 84 -18.915 -21.092 28.311 1.00 52.32 C ATOM 1315 CG ASP A 84 -19.237 -20.146 27.174 1.00 44.23 C ATOM 1316 OD1 ASP A 84 -20.436 -19.939 26.884 1.00 14.42 O ATOM 1317 OD2 ASP A 84 -18.291 -19.617 26.559 1.00 21.02 O ATOM 0 H ASP A 84 -17.359 -19.235 28.739 1.00 72.31 H new ATOM 0 HA ASP A 84 -19.809 -19.919 29.896 1.00 31.11 H new ATOM 0 HB2 ASP A 84 -17.960 -21.578 28.114 1.00 52.32 H new ATOM 0 HB3 ASP A 84 -19.670 -21.877 28.349 1.00 52.32 H new ATOM 1322 N GLY A 85 -17.257 -21.585 31.079 1.00 11.25 N ATOM 1323 CA GLY A 85 -16.825 -22.596 32.046 1.00 61.34 C ATOM 1324 C GLY A 85 -16.094 -23.769 31.396 1.00 63.13 C ATOM 1325 O GLY A 85 -16.015 -24.857 31.966 1.00 70.22 O ATOM 0 H GLY A 85 -16.500 -21.027 30.685 1.00 11.25 H new ATOM 0 HA2 GLY A 85 -16.170 -22.130 32.783 1.00 61.34 H new ATOM 0 HA3 GLY A 85 -17.695 -22.971 32.585 1.00 61.34 H new ATOM 1329 N SER A 86 -15.549 -23.540 30.203 1.00 71.44 N ATOM 1330 CA SER A 86 -14.840 -24.583 29.446 1.00 64.34 C ATOM 1331 C SER A 86 -13.524 -24.050 28.857 1.00 33.45 C ATOM 1332 O SER A 86 -13.173 -22.885 29.051 1.00 53.43 O ATOM 1333 CB SER A 86 -15.736 -25.130 28.324 1.00 41.52 C ATOM 1334 OG SER A 86 -16.148 -24.096 27.441 1.00 33.50 O ATOM 0 H SER A 86 -15.583 -22.636 29.732 1.00 71.44 H new ATOM 0 HA SER A 86 -14.599 -25.391 30.137 1.00 64.34 H new ATOM 0 HB2 SER A 86 -15.196 -25.895 27.765 1.00 41.52 H new ATOM 0 HB3 SER A 86 -16.613 -25.611 28.758 1.00 41.52 H new ATOM 0 HG SER A 86 -16.715 -24.474 26.737 1.00 33.50 H new ATOM 1340 N GLU A 87 -12.798 -24.908 28.137 1.00 44.15 N ATOM 1341 CA GLU A 87 -11.475 -24.553 27.595 1.00 15.15 C ATOM 1342 C GLU A 87 -11.229 -25.148 26.196 1.00 21.33 C ATOM 1343 O GLU A 87 -11.754 -26.213 25.857 1.00 31.33 O ATOM 1344 CB GLU A 87 -10.380 -25.052 28.549 1.00 10.41 C ATOM 1345 CG GLU A 87 -10.560 -26.511 28.961 1.00 32.40 C ATOM 1346 CD GLU A 87 -9.317 -27.121 29.581 1.00 14.33 C ATOM 1347 OE1 GLU A 87 -8.978 -26.776 30.736 1.00 40.02 O ATOM 1348 OE2 GLU A 87 -8.672 -27.954 28.916 1.00 23.31 O ATOM 0 H GLU A 87 -13.100 -25.856 27.913 1.00 44.15 H new ATOM 0 HA GLU A 87 -11.446 -23.467 27.503 1.00 15.15 H new ATOM 0 HB2 GLU A 87 -9.408 -24.934 28.070 1.00 10.41 H new ATOM 0 HB3 GLU A 87 -10.373 -24.427 29.442 1.00 10.41 H new ATOM 0 HG2 GLU A 87 -11.383 -26.581 29.672 1.00 32.40 H new ATOM 0 HG3 GLU A 87 -10.844 -27.095 28.086 1.00 32.40 H new ATOM 1355 N GLU A 88 -10.427 -24.448 25.392 1.00 62.23 N ATOM 1356 CA GLU A 88 -9.957 -24.975 24.103 1.00 62.14 C ATOM 1357 C GLU A 88 -8.705 -24.221 23.618 1.00 42.44 C ATOM 1358 O GLU A 88 -8.559 -23.025 23.853 1.00 13.43 O ATOM 1359 CB GLU A 88 -11.058 -24.901 23.037 1.00 23.20 C ATOM 1360 CG GLU A 88 -10.674 -25.575 21.719 1.00 4.02 C ATOM 1361 CD GLU A 88 -10.334 -27.053 21.892 1.00 0.52 C ATOM 1362 OE1 GLU A 88 -9.156 -27.376 22.183 1.00 31.45 O ATOM 1363 OE2 GLU A 88 -11.243 -27.897 21.759 1.00 62.24 O ATOM 0 H GLU A 88 -10.087 -23.511 25.609 1.00 62.23 H new ATOM 0 HA GLU A 88 -9.695 -26.022 24.258 1.00 62.14 H new ATOM 0 HB2 GLU A 88 -11.962 -25.369 23.426 1.00 23.20 H new ATOM 0 HB3 GLU A 88 -11.298 -23.855 22.845 1.00 23.20 H new ATOM 0 HG2 GLU A 88 -11.497 -25.476 21.011 1.00 4.02 H new ATOM 0 HG3 GLU A 88 -9.818 -25.057 21.287 1.00 4.02 H new ATOM 1370 N ARG A 89 -7.818 -24.932 22.930 1.00 21.44 N ATOM 1371 CA ARG A 89 -6.526 -24.382 22.493 1.00 71.34 C ATOM 1372 C ARG A 89 -6.586 -23.828 21.056 1.00 13.43 C ATOM 1373 O ARG A 89 -7.560 -24.041 20.328 1.00 51.42 O ATOM 1374 CB ARG A 89 -5.470 -25.490 22.565 1.00 4.12 C ATOM 1375 CG ARG A 89 -5.750 -26.646 21.606 1.00 71.01 C ATOM 1376 CD ARG A 89 -4.882 -27.865 21.900 1.00 22.25 C ATOM 1377 NE ARG A 89 -5.103 -28.949 20.943 1.00 32.23 N ATOM 1378 CZ ARG A 89 -6.215 -29.635 20.834 1.00 33.23 C ATOM 1379 NH1 ARG A 89 -7.260 -29.342 21.541 1.00 44.02 N ATOM 1380 NH2 ARG A 89 -6.285 -30.607 19.986 1.00 53.13 N ATOM 0 H ARG A 89 -7.967 -25.903 22.657 1.00 21.44 H new ATOM 0 HA ARG A 89 -6.270 -23.554 23.154 1.00 71.34 H new ATOM 0 HB2 ARG A 89 -4.491 -25.067 22.339 1.00 4.12 H new ATOM 0 HB3 ARG A 89 -5.423 -25.874 23.584 1.00 4.12 H new ATOM 0 HG2 ARG A 89 -6.801 -26.926 21.675 1.00 71.01 H new ATOM 0 HG3 ARG A 89 -5.575 -26.316 20.582 1.00 71.01 H new ATOM 0 HD2 ARG A 89 -3.832 -27.574 21.879 1.00 22.25 H new ATOM 0 HD3 ARG A 89 -5.093 -28.224 22.907 1.00 22.25 H new ATOM 0 HE ARG A 89 -4.336 -29.189 20.315 1.00 32.23 H new ATOM 0 HH11 ARG A 89 -7.228 -28.564 22.199 1.00 44.02 H new ATOM 0 HH12 ARG A 89 -8.114 -29.890 21.439 1.00 44.02 H new ATOM 0 HH21 ARG A 89 -5.478 -30.837 19.406 1.00 53.13 H new ATOM 0 HH22 ARG A 89 -7.147 -31.145 19.896 1.00 53.13 H new ATOM 1394 N PHE A 90 -5.525 -23.130 20.648 1.00 33.41 N ATOM 1395 CA PHE A 90 -5.397 -22.647 19.267 1.00 51.22 C ATOM 1396 C PHE A 90 -3.955 -22.809 18.756 1.00 22.01 C ATOM 1397 O PHE A 90 -2.993 -22.677 19.516 1.00 3.02 O ATOM 1398 CB PHE A 90 -5.851 -21.180 19.150 1.00 53.02 C ATOM 1399 CG PHE A 90 -4.965 -20.179 19.860 1.00 64.23 C ATOM 1400 CD1 PHE A 90 -4.993 -20.056 21.243 1.00 21.23 C ATOM 1401 CD2 PHE A 90 -4.118 -19.347 19.137 1.00 54.44 C ATOM 1402 CE1 PHE A 90 -4.197 -19.127 21.887 1.00 3.51 C ATOM 1403 CE2 PHE A 90 -3.320 -18.419 19.778 1.00 71.35 C ATOM 1404 CZ PHE A 90 -3.361 -18.308 21.153 1.00 34.34 C ATOM 0 H PHE A 90 -4.740 -22.885 21.252 1.00 33.41 H new ATOM 0 HA PHE A 90 -6.050 -23.256 18.642 1.00 51.22 H new ATOM 0 HB2 PHE A 90 -5.901 -20.914 18.094 1.00 53.02 H new ATOM 0 HB3 PHE A 90 -6.862 -21.095 19.549 1.00 53.02 H new ATOM 0 HD1 PHE A 90 -5.644 -20.694 21.822 1.00 21.23 H new ATOM 0 HD2 PHE A 90 -4.083 -19.427 18.061 1.00 54.44 H new ATOM 0 HE1 PHE A 90 -4.229 -19.042 22.963 1.00 3.51 H new ATOM 0 HE2 PHE A 90 -2.665 -17.781 19.204 1.00 71.35 H new ATOM 0 HZ PHE A 90 -2.740 -17.581 21.655 1.00 34.34 H new ATOM 1414 N SER A 91 -3.811 -23.106 17.465 1.00 61.41 N ATOM 1415 CA SER A 91 -2.488 -23.327 16.861 1.00 2.44 C ATOM 1416 C SER A 91 -1.815 -22.007 16.460 1.00 51.43 C ATOM 1417 O SER A 91 -1.913 -21.570 15.312 1.00 25.44 O ATOM 1418 CB SER A 91 -2.596 -24.250 15.635 1.00 31.04 C ATOM 1419 OG SER A 91 -3.031 -25.550 16.003 1.00 42.05 O ATOM 0 H SER A 91 -4.590 -23.200 16.814 1.00 61.41 H new ATOM 0 HA SER A 91 -1.867 -23.806 17.618 1.00 2.44 H new ATOM 0 HB2 SER A 91 -3.293 -23.821 14.915 1.00 31.04 H new ATOM 0 HB3 SER A 91 -1.627 -24.315 15.140 1.00 31.04 H new ATOM 0 HG SER A 91 -3.092 -26.113 15.203 1.00 42.05 H new ATOM 1425 N TYR A 92 -1.124 -21.383 17.414 1.00 60.24 N ATOM 1426 CA TYR A 92 -0.429 -20.109 17.172 1.00 23.31 C ATOM 1427 C TYR A 92 0.601 -20.221 16.027 1.00 43.42 C ATOM 1428 O TYR A 92 0.917 -19.230 15.366 1.00 14.01 O ATOM 1429 CB TYR A 92 0.268 -19.631 18.457 1.00 11.33 C ATOM 1430 CG TYR A 92 1.501 -20.439 18.835 1.00 64.03 C ATOM 1431 CD1 TYR A 92 1.391 -21.696 19.424 1.00 2.01 C ATOM 1432 CD2 TYR A 92 2.779 -19.942 18.593 1.00 24.31 C ATOM 1433 CE1 TYR A 92 2.516 -22.429 19.758 1.00 12.33 C ATOM 1434 CE2 TYR A 92 3.904 -20.667 18.926 1.00 34.03 C ATOM 1435 CZ TYR A 92 3.768 -21.909 19.505 1.00 23.31 C ATOM 1436 OH TYR A 92 4.892 -22.635 19.833 1.00 73.43 O ATOM 0 H TYR A 92 -1.028 -21.737 18.366 1.00 60.24 H new ATOM 0 HA TYR A 92 -1.182 -19.380 16.872 1.00 23.31 H new ATOM 0 HB2 TYR A 92 0.555 -18.587 18.334 1.00 11.33 H new ATOM 0 HB3 TYR A 92 -0.445 -19.671 19.280 1.00 11.33 H new ATOM 0 HD1 TYR A 92 0.412 -22.105 19.623 1.00 2.01 H new ATOM 0 HD2 TYR A 92 2.891 -18.970 18.136 1.00 24.31 H new ATOM 0 HE1 TYR A 92 2.414 -23.403 20.214 1.00 12.33 H new ATOM 0 HE2 TYR A 92 4.887 -20.263 18.734 1.00 34.03 H new ATOM 0 HH TYR A 92 5.496 -22.669 19.062 1.00 73.43 H new ATOM 1446 N LYS A 93 1.122 -21.432 15.805 1.00 41.21 N ATOM 1447 CA LYS A 93 2.113 -21.672 14.745 1.00 53.24 C ATOM 1448 C LYS A 93 1.525 -21.405 13.346 1.00 21.14 C ATOM 1449 O LYS A 93 2.254 -21.106 12.400 1.00 71.20 O ATOM 1450 CB LYS A 93 2.651 -23.111 14.834 1.00 52.24 C ATOM 1451 CG LYS A 93 1.605 -24.195 14.562 1.00 42.24 C ATOM 1452 CD LYS A 93 2.190 -25.600 14.723 1.00 2.11 C ATOM 1453 CE LYS A 93 1.184 -26.690 14.363 1.00 5.40 C ATOM 1454 NZ LYS A 93 1.752 -28.050 14.565 1.00 33.33 N ATOM 0 H LYS A 93 0.876 -22.262 16.344 1.00 41.21 H new ATOM 0 HA LYS A 93 2.936 -20.974 14.896 1.00 53.24 H new ATOM 0 HB2 LYS A 93 3.468 -23.225 14.122 1.00 52.24 H new ATOM 0 HB3 LYS A 93 3.070 -23.269 15.828 1.00 52.24 H new ATOM 0 HG2 LYS A 93 0.765 -24.070 15.246 1.00 42.24 H new ATOM 0 HG3 LYS A 93 1.214 -24.077 13.552 1.00 42.24 H new ATOM 0 HD2 LYS A 93 3.072 -25.699 14.090 1.00 2.11 H new ATOM 0 HD3 LYS A 93 2.520 -25.738 15.753 1.00 2.11 H new ATOM 0 HE2 LYS A 93 0.288 -26.575 14.974 1.00 5.40 H new ATOM 0 HE3 LYS A 93 0.878 -26.574 13.323 1.00 5.40 H new ATOM 0 HZ1 LYS A 93 1.041 -28.765 14.310 1.00 33.33 H new ATOM 0 HZ2 LYS A 93 2.592 -28.168 13.963 1.00 33.33 H new ATOM 0 HZ3 LYS A 93 2.021 -28.169 15.563 1.00 33.33 H new