USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 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 25 LYS NZ :NH3+ -116:sc= 0.866 (180deg=-0.0103) USER MOD Set 1.2: A 29 ASN : amide:sc= -3.52! K(o=-1.5!,f=-2.8) USER MOD Set 1.3: A 76 GLN : amide:sc= 1.13 K(o=-1.5,f=-13!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=-0.024) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.118) USER MOD Single : A 24 MET CE :methyl -172:sc=-0.00293 (180deg=-0.094) USER MOD Single : A 27 MET CE :methyl -105:sc= -0.0902 (180deg=-3.39!) USER MOD Single : A 31 TYR OH : rot -174:sc= 0.734 USER MOD Single : A 38 SER OG : rot -109:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 1.3 (180deg=1.16) USER MOD Single : A 52 HIS : no HD1:sc=-0.00251 K(o=-0.0025,f=-0.94) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 2.38 (180deg=2.38) USER MOD Single : A 65 ASN :FLIP amide:sc= -1.35 F(o=-2!,f=-1.4) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 145:sc= -3.54! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -132:sc= 0.575 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 3.171 -4.919 8.314 1.00 54.12 N ATOM 80 CA PRO A 6 3.504 -5.980 9.285 1.00 33.32 C ATOM 81 C PRO A 6 2.327 -6.357 10.206 1.00 4.51 C ATOM 82 O PRO A 6 1.367 -5.597 10.365 1.00 55.23 O ATOM 83 CB PRO A 6 4.663 -5.369 10.094 1.00 3.41 C ATOM 84 CG PRO A 6 4.495 -3.895 9.947 1.00 11.44 C ATOM 85 CD PRO A 6 3.942 -3.683 8.563 1.00 21.24 C ATOM 0 HA PRO A 6 3.758 -6.915 8.786 1.00 33.32 H new ATOM 0 HB2 PRO A 6 4.617 -5.670 11.141 1.00 3.41 H new ATOM 0 HB3 PRO A 6 5.629 -5.697 9.711 1.00 3.41 H new ATOM 0 HG2 PRO A 6 3.817 -3.501 10.704 1.00 11.44 H new ATOM 0 HG3 PRO A 6 5.447 -3.378 10.072 1.00 11.44 H new ATOM 0 HD2 PRO A 6 3.309 -2.797 8.514 1.00 21.24 H new ATOM 0 HD3 PRO A 6 4.736 -3.549 7.828 1.00 21.24 H new ATOM 93 N ILE A 7 2.406 -7.539 10.815 1.00 62.14 N ATOM 94 CA ILE A 7 1.360 -8.016 11.722 1.00 42.22 C ATOM 95 C ILE A 7 1.486 -7.337 13.095 1.00 14.32 C ATOM 96 O ILE A 7 2.290 -7.752 13.930 1.00 41.12 O ATOM 97 CB ILE A 7 1.400 -9.563 11.913 1.00 34.02 C ATOM 98 CG1 ILE A 7 1.239 -10.309 10.568 1.00 50.55 C ATOM 99 CG2 ILE A 7 0.316 -10.010 12.896 1.00 34.01 C ATOM 100 CD1 ILE A 7 2.479 -10.305 9.691 1.00 31.33 C ATOM 0 H ILE A 7 3.185 -8.186 10.697 1.00 62.14 H new ATOM 0 HA ILE A 7 0.407 -7.756 11.262 1.00 42.22 H new ATOM 0 HB ILE A 7 2.378 -9.817 12.321 1.00 34.02 H new ATOM 0 HG12 ILE A 7 0.957 -11.342 10.772 1.00 50.55 H new ATOM 0 HG13 ILE A 7 0.416 -9.858 10.013 1.00 50.55 H new ATOM 0 HG21 ILE A 7 0.359 -11.092 13.017 1.00 34.01 H new ATOM 0 HG22 ILE A 7 0.480 -9.530 13.861 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -0.664 -9.726 12.511 1.00 34.01 H new ATOM 0 HD11 ILE A 7 2.275 -10.850 8.770 1.00 31.33 H new ATOM 0 HD12 ILE A 7 2.752 -9.277 9.451 1.00 31.33 H new ATOM 0 HD13 ILE A 7 3.302 -10.785 10.222 1.00 31.33 H new ATOM 112 N GLU A 8 0.716 -6.273 13.312 1.00 73.24 N ATOM 113 CA GLU A 8 0.746 -5.556 14.590 1.00 44.32 C ATOM 114 C GLU A 8 -0.154 -6.236 15.635 1.00 24.51 C ATOM 115 O GLU A 8 -1.359 -6.395 15.429 1.00 35.10 O ATOM 116 CB GLU A 8 0.323 -4.089 14.407 1.00 53.23 C ATOM 117 CG GLU A 8 0.543 -3.236 15.657 1.00 2.12 C ATOM 118 CD GLU A 8 0.042 -1.805 15.510 1.00 23.41 C ATOM 119 OE1 GLU A 8 0.700 -1.004 14.811 1.00 50.34 O ATOM 120 OE2 GLU A 8 -1.012 -1.471 16.102 1.00 12.13 O ATOM 0 H GLU A 8 0.067 -5.888 12.626 1.00 73.24 H new ATOM 0 HA GLU A 8 1.773 -5.582 14.953 1.00 44.32 H new ATOM 0 HB2 GLU A 8 0.883 -3.657 13.578 1.00 53.23 H new ATOM 0 HB3 GLU A 8 -0.731 -4.054 14.132 1.00 53.23 H new ATOM 0 HG2 GLU A 8 0.037 -3.705 16.501 1.00 2.12 H new ATOM 0 HG3 GLU A 8 1.607 -3.218 15.893 1.00 2.12 H new ATOM 127 N ILE A 9 0.451 -6.658 16.741 1.00 51.40 N ATOM 128 CA ILE A 9 -0.275 -7.254 17.867 1.00 61.42 C ATOM 129 C ILE A 9 0.124 -6.565 19.183 1.00 31.23 C ATOM 130 O ILE A 9 1.257 -6.718 19.650 1.00 71.33 O ATOM 131 CB ILE A 9 0.020 -8.771 17.986 1.00 60.44 C ATOM 132 CG1 ILE A 9 -0.346 -9.501 16.684 1.00 60.24 C ATOM 133 CG2 ILE A 9 -0.733 -9.373 19.172 1.00 63.33 C ATOM 134 CD1 ILE A 9 0.006 -10.976 16.687 1.00 12.24 C ATOM 0 H ILE A 9 1.459 -6.598 16.886 1.00 51.40 H new ATOM 0 HA ILE A 9 -1.340 -7.114 17.682 1.00 61.42 H new ATOM 0 HB ILE A 9 1.089 -8.898 18.158 1.00 60.44 H new ATOM 0 HG12 ILE A 9 -1.416 -9.393 16.507 1.00 60.24 H new ATOM 0 HG13 ILE A 9 0.165 -9.017 15.852 1.00 60.24 H new ATOM 0 HG21 ILE A 9 -0.513 -10.439 19.239 1.00 63.33 H new ATOM 0 HG22 ILE A 9 -0.419 -8.879 20.091 1.00 63.33 H new ATOM 0 HG23 ILE A 9 -1.805 -9.232 19.032 1.00 63.33 H new ATOM 0 HD11 ILE A 9 -0.283 -11.421 15.735 1.00 12.24 H new ATOM 0 HD12 ILE A 9 1.080 -11.093 16.831 1.00 12.24 H new ATOM 0 HD13 ILE A 9 -0.526 -11.475 17.497 1.00 12.24 H new ATOM 146 N ALA A 10 -0.795 -5.792 19.762 1.00 12.02 N ATOM 147 CA ALA A 10 -0.524 -5.047 21.003 1.00 23.20 C ATOM 148 C ALA A 10 0.675 -4.096 20.831 1.00 44.20 C ATOM 149 O ALA A 10 1.446 -3.863 21.764 1.00 75.11 O ATOM 150 CB ALA A 10 -0.286 -6.016 22.163 1.00 60.42 C ATOM 0 H ALA A 10 -1.738 -5.662 19.394 1.00 12.02 H new ATOM 0 HA ALA A 10 -1.399 -4.439 21.232 1.00 23.20 H new ATOM 0 HB1 ALA A 10 -0.087 -5.451 23.074 1.00 60.42 H new ATOM 0 HB2 ALA A 10 -1.171 -6.636 22.307 1.00 60.42 H new ATOM 0 HB3 ALA A 10 0.570 -6.652 21.936 1.00 60.42 H new ATOM 156 N GLY A 11 0.814 -3.544 19.629 1.00 4.25 N ATOM 157 CA GLY A 11 1.948 -2.681 19.311 1.00 13.03 C ATOM 158 C GLY A 11 3.105 -3.434 18.654 1.00 32.44 C ATOM 159 O GLY A 11 3.883 -2.852 17.894 1.00 4.41 O ATOM 0 H GLY A 11 0.157 -3.678 18.860 1.00 4.25 H new ATOM 0 HA2 GLY A 11 1.616 -1.884 18.646 1.00 13.03 H new ATOM 0 HA3 GLY A 11 2.303 -2.206 20.225 1.00 13.03 H new ATOM 163 N HIS A 12 3.210 -4.734 18.937 1.00 41.12 N ATOM 164 CA HIS A 12 4.282 -5.570 18.383 1.00 2.44 C ATOM 165 C HIS A 12 4.026 -5.889 16.903 1.00 43.52 C ATOM 166 O HIS A 12 3.255 -6.790 16.577 1.00 13.23 O ATOM 167 CB HIS A 12 4.413 -6.878 19.179 1.00 52.33 C ATOM 168 CG HIS A 12 4.749 -6.688 20.630 1.00 1.44 C ATOM 169 ND1 HIS A 12 5.944 -7.094 21.187 1.00 3.15 N ATOM 170 CD2 HIS A 12 4.029 -6.155 21.649 1.00 21.41 C ATOM 171 CE1 HIS A 12 5.945 -6.824 22.476 1.00 31.32 C ATOM 172 NE2 HIS A 12 4.798 -6.254 22.782 1.00 74.52 N ATOM 0 H HIS A 12 2.564 -5.234 19.548 1.00 41.12 H new ATOM 0 HA HIS A 12 5.213 -5.009 18.462 1.00 2.44 H new ATOM 0 HB2 HIS A 12 3.476 -7.430 19.104 1.00 52.33 H new ATOM 0 HB3 HIS A 12 5.184 -7.495 18.717 1.00 52.33 H new ATOM 0 HD2 HIS A 12 3.037 -5.732 21.582 1.00 21.41 H new ATOM 0 HE1 HIS A 12 6.750 -7.034 23.165 1.00 31.32 H new ATOM 0 HE2 HIS A 12 4.525 -5.937 23.712 1.00 74.52 H new ATOM 181 N GLU A 13 4.662 -5.136 16.014 1.00 11.23 N ATOM 182 CA GLU A 13 4.464 -5.306 14.569 1.00 4.05 C ATOM 183 C GLU A 13 5.543 -6.208 13.938 1.00 24.51 C ATOM 184 O GLU A 13 6.680 -5.786 13.716 1.00 41.30 O ATOM 185 CB GLU A 13 4.428 -3.935 13.876 1.00 25.13 C ATOM 186 CG GLU A 13 5.589 -3.017 14.246 1.00 42.53 C ATOM 187 CD GLU A 13 5.552 -1.698 13.493 1.00 51.32 C ATOM 188 OE1 GLU A 13 4.913 -0.742 13.984 1.00 3.12 O ATOM 189 OE2 GLU A 13 6.153 -1.614 12.402 1.00 12.22 O ATOM 0 H GLU A 13 5.322 -4.399 16.263 1.00 11.23 H new ATOM 0 HA GLU A 13 3.506 -5.805 14.423 1.00 4.05 H new ATOM 0 HB2 GLU A 13 4.428 -4.086 12.796 1.00 25.13 H new ATOM 0 HB3 GLU A 13 3.491 -3.437 14.128 1.00 25.13 H new ATOM 0 HG2 GLU A 13 5.565 -2.820 15.318 1.00 42.53 H new ATOM 0 HG3 GLU A 13 6.530 -3.525 14.036 1.00 42.53 H new ATOM 196 N PHE A 14 5.173 -7.455 13.652 1.00 34.11 N ATOM 197 CA PHE A 14 6.096 -8.430 13.054 1.00 40.25 C ATOM 198 C PHE A 14 6.029 -8.394 11.517 1.00 4.53 C ATOM 199 O PHE A 14 4.955 -8.530 10.936 1.00 5.01 O ATOM 200 CB PHE A 14 5.750 -9.844 13.542 1.00 44.14 C ATOM 201 CG PHE A 14 5.656 -9.966 15.042 1.00 72.21 C ATOM 202 CD1 PHE A 14 6.785 -10.212 15.806 1.00 73.14 C ATOM 203 CD2 PHE A 14 4.435 -9.828 15.688 1.00 2.24 C ATOM 204 CE1 PHE A 14 6.703 -10.319 17.181 1.00 43.30 C ATOM 205 CE2 PHE A 14 4.347 -9.936 17.062 1.00 41.41 C ATOM 206 CZ PHE A 14 5.482 -10.181 17.810 1.00 64.53 C ATOM 0 H PHE A 14 4.236 -7.820 13.824 1.00 34.11 H new ATOM 0 HA PHE A 14 7.107 -8.166 13.363 1.00 40.25 H new ATOM 0 HB2 PHE A 14 4.800 -10.147 13.102 1.00 44.14 H new ATOM 0 HB3 PHE A 14 6.506 -10.539 13.177 1.00 44.14 H new ATOM 0 HD1 PHE A 14 7.743 -10.322 15.320 1.00 73.14 H new ATOM 0 HD2 PHE A 14 3.544 -9.634 15.110 1.00 2.24 H new ATOM 0 HE1 PHE A 14 7.593 -10.510 17.763 1.00 43.30 H new ATOM 0 HE2 PHE A 14 3.390 -9.829 17.552 1.00 41.41 H new ATOM 0 HZ PHE A 14 5.414 -10.264 18.885 1.00 64.53 H new ATOM 216 N ALA A 15 7.175 -8.229 10.856 1.00 63.45 N ATOM 217 CA ALA A 15 7.222 -8.199 9.384 1.00 32.21 C ATOM 218 C ALA A 15 6.899 -9.570 8.767 1.00 35.31 C ATOM 219 O ALA A 15 6.569 -9.672 7.584 1.00 51.53 O ATOM 220 CB ALA A 15 8.592 -7.729 8.915 1.00 64.21 C ATOM 0 H ALA A 15 8.082 -8.114 11.309 1.00 63.45 H new ATOM 0 HA ALA A 15 6.458 -7.498 9.047 1.00 32.21 H new ATOM 0 HB1 ALA A 15 8.617 -7.710 7.825 1.00 64.21 H new ATOM 0 HB2 ALA A 15 8.784 -6.727 9.300 1.00 64.21 H new ATOM 0 HB3 ALA A 15 9.357 -8.412 9.284 1.00 64.21 H new ATOM 226 N ARG A 16 6.996 -10.615 9.582 1.00 52.31 N ATOM 227 CA ARG A 16 6.774 -11.994 9.130 1.00 70.21 C ATOM 228 C ARG A 16 6.102 -12.838 10.225 1.00 43.22 C ATOM 229 O ARG A 16 6.403 -12.695 11.412 1.00 10.31 O ATOM 230 CB ARG A 16 8.115 -12.620 8.710 1.00 4.43 C ATOM 231 CG ARG A 16 9.271 -12.224 9.624 1.00 3.54 C ATOM 232 CD ARG A 16 10.608 -12.795 9.163 1.00 11.33 C ATOM 233 NE ARG A 16 11.728 -12.099 9.792 1.00 62.01 N ATOM 234 CZ ARG A 16 12.469 -12.583 10.752 1.00 71.33 C ATOM 235 NH1 ARG A 16 12.305 -13.793 11.183 1.00 34.12 N ATOM 236 NH2 ARG A 16 13.400 -11.851 11.268 1.00 4.24 N ATOM 0 H ARG A 16 7.230 -10.536 10.572 1.00 52.31 H new ATOM 0 HA ARG A 16 6.102 -11.975 8.272 1.00 70.21 H new ATOM 0 HB2 ARG A 16 8.017 -13.706 8.707 1.00 4.43 H new ATOM 0 HB3 ARG A 16 8.347 -12.318 7.689 1.00 4.43 H new ATOM 0 HG2 ARG A 16 9.340 -11.137 9.666 1.00 3.54 H new ATOM 0 HG3 ARG A 16 9.063 -12.569 10.637 1.00 3.54 H new ATOM 0 HD2 ARG A 16 10.655 -13.857 9.405 1.00 11.33 H new ATOM 0 HD3 ARG A 16 10.687 -12.711 8.079 1.00 11.33 H new ATOM 0 HE ARG A 16 11.948 -11.162 9.455 1.00 62.01 H new ATOM 0 HH11 ARG A 16 11.586 -14.388 10.771 1.00 34.12 H new ATOM 0 HH12 ARG A 16 12.895 -14.151 11.934 1.00 34.12 H new ATOM 0 HH21 ARG A 16 13.552 -10.902 10.925 1.00 4.24 H new ATOM 0 HH22 ARG A 16 13.983 -12.222 12.018 1.00 4.24 H new ATOM 250 N LYS A 17 5.197 -13.725 9.813 1.00 31.22 N ATOM 251 CA LYS A 17 4.429 -14.561 10.747 1.00 43.50 C ATOM 252 C LYS A 17 5.364 -15.471 11.571 1.00 14.41 C ATOM 253 O LYS A 17 5.154 -15.671 12.770 1.00 2.22 O ATOM 254 CB LYS A 17 3.410 -15.415 9.961 1.00 72.21 C ATOM 255 CG LYS A 17 2.078 -15.677 10.677 1.00 51.33 C ATOM 256 CD LYS A 17 2.260 -16.265 12.076 1.00 2.42 C ATOM 257 CE LYS A 17 0.977 -16.901 12.608 1.00 14.34 C ATOM 258 NZ LYS A 17 -0.208 -16.025 12.428 1.00 13.05 N ATOM 0 H LYS A 17 4.974 -13.887 8.831 1.00 31.22 H new ATOM 0 HA LYS A 17 3.897 -13.909 11.440 1.00 43.50 H new ATOM 0 HB2 LYS A 17 3.202 -14.920 9.013 1.00 72.21 H new ATOM 0 HB3 LYS A 17 3.871 -16.374 9.725 1.00 72.21 H new ATOM 0 HG2 LYS A 17 1.521 -14.743 10.751 1.00 51.33 H new ATOM 0 HG3 LYS A 17 1.477 -16.360 10.077 1.00 51.33 H new ATOM 0 HD2 LYS A 17 3.052 -17.014 12.053 1.00 2.42 H new ATOM 0 HD3 LYS A 17 2.584 -15.479 12.759 1.00 2.42 H new ATOM 0 HE2 LYS A 17 0.806 -17.848 12.097 1.00 14.34 H new ATOM 0 HE3 LYS A 17 1.100 -17.128 13.667 1.00 14.34 H new ATOM 0 HZ1 LYS A 17 -1.010 -16.412 12.965 1.00 13.05 H new ATOM 0 HZ2 LYS A 17 0.011 -15.069 12.774 1.00 13.05 H new ATOM 0 HZ3 LYS A 17 -0.456 -15.980 11.419 1.00 13.05 H new ATOM 272 N ALA A 18 6.400 -16.007 10.920 1.00 31.02 N ATOM 273 CA ALA A 18 7.360 -16.905 11.582 1.00 31.12 C ATOM 274 C ALA A 18 8.020 -16.247 12.806 1.00 13.41 C ATOM 275 O ALA A 18 8.300 -16.912 13.805 1.00 71.43 O ATOM 276 CB ALA A 18 8.425 -17.360 10.589 1.00 53.22 C ATOM 0 H ALA A 18 6.599 -15.837 9.934 1.00 31.02 H new ATOM 0 HA ALA A 18 6.804 -17.771 11.939 1.00 31.12 H new ATOM 0 HB1 ALA A 18 9.130 -18.024 11.090 1.00 53.22 H new ATOM 0 HB2 ALA A 18 7.950 -17.891 9.764 1.00 53.22 H new ATOM 0 HB3 ALA A 18 8.957 -16.491 10.203 1.00 53.22 H new ATOM 282 N ASP A 19 8.250 -14.937 12.724 1.00 24.13 N ATOM 283 CA ASP A 19 8.848 -14.183 13.830 1.00 33.12 C ATOM 284 C ASP A 19 7.878 -14.118 15.025 1.00 54.33 C ATOM 285 O ASP A 19 8.280 -14.264 16.184 1.00 53.53 O ATOM 286 CB ASP A 19 9.217 -12.774 13.353 1.00 25.41 C ATOM 287 CG ASP A 19 10.163 -12.063 14.305 1.00 4.43 C ATOM 288 OD1 ASP A 19 11.388 -12.233 14.166 1.00 63.00 O ATOM 289 OD2 ASP A 19 9.687 -11.328 15.191 1.00 22.42 O ATOM 0 H ASP A 19 8.032 -14.373 11.902 1.00 24.13 H new ATOM 0 HA ASP A 19 9.754 -14.692 14.160 1.00 33.12 H new ATOM 0 HB2 ASP A 19 9.679 -12.838 12.368 1.00 25.41 H new ATOM 0 HB3 ASP A 19 8.308 -12.183 13.241 1.00 25.41 H new ATOM 294 N ALA A 20 6.592 -13.917 14.726 1.00 61.14 N ATOM 295 CA ALA A 20 5.540 -13.943 15.747 1.00 1.41 C ATOM 296 C ALA A 20 5.417 -15.341 16.379 1.00 73.31 C ATOM 297 O ALA A 20 5.196 -15.477 17.586 1.00 52.30 O ATOM 298 CB ALA A 20 4.208 -13.512 15.134 1.00 72.42 C ATOM 0 H ALA A 20 6.253 -13.734 13.782 1.00 61.14 H new ATOM 0 HA ALA A 20 5.809 -13.243 16.538 1.00 1.41 H new ATOM 0 HB1 ALA A 20 3.432 -13.534 15.899 1.00 72.42 H new ATOM 0 HB2 ALA A 20 4.300 -12.500 14.739 1.00 72.42 H new ATOM 0 HB3 ALA A 20 3.941 -14.194 14.327 1.00 72.42 H new ATOM 304 N LEU A 21 5.569 -16.377 15.551 1.00 34.32 N ATOM 305 CA LEU A 21 5.539 -17.765 16.026 1.00 64.31 C ATOM 306 C LEU A 21 6.675 -18.027 17.024 1.00 31.05 C ATOM 307 O LEU A 21 6.453 -18.583 18.102 1.00 30.20 O ATOM 308 CB LEU A 21 5.642 -18.740 14.843 1.00 53.32 C ATOM 309 CG LEU A 21 4.471 -18.686 13.849 1.00 11.44 C ATOM 310 CD1 LEU A 21 4.711 -19.634 12.677 1.00 74.01 C ATOM 311 CD2 LEU A 21 3.156 -19.019 14.550 1.00 32.24 C ATOM 0 H LEU A 21 5.714 -16.282 14.546 1.00 34.32 H new ATOM 0 HA LEU A 21 4.589 -17.926 16.535 1.00 64.31 H new ATOM 0 HB2 LEU A 21 6.566 -18.535 14.303 1.00 53.32 H new ATOM 0 HB3 LEU A 21 5.720 -19.754 15.234 1.00 53.32 H new ATOM 0 HG LEU A 21 4.404 -17.671 13.457 1.00 11.44 H new ATOM 0 HD11 LEU A 21 3.869 -19.579 11.986 1.00 74.01 H new ATOM 0 HD12 LEU A 21 5.626 -19.347 12.158 1.00 74.01 H new ATOM 0 HD13 LEU A 21 4.810 -20.654 13.048 1.00 74.01 H new ATOM 0 HD21 LEU A 21 2.339 -18.976 13.830 1.00 32.24 H new ATOM 0 HD22 LEU A 21 3.213 -20.022 14.974 1.00 32.24 H new ATOM 0 HD23 LEU A 21 2.976 -18.298 15.347 1.00 32.24 H new ATOM 323 N ALA A 22 7.890 -17.610 16.658 1.00 11.53 N ATOM 324 CA ALA A 22 9.056 -17.743 17.537 1.00 63.42 C ATOM 325 C ALA A 22 8.830 -17.027 18.877 1.00 1.12 C ATOM 326 O ALA A 22 9.008 -17.619 19.942 1.00 53.44 O ATOM 327 CB ALA A 22 10.306 -17.198 16.850 1.00 14.52 C ATOM 0 H ALA A 22 8.093 -17.177 15.757 1.00 11.53 H new ATOM 0 HA ALA A 22 9.200 -18.804 17.743 1.00 63.42 H new ATOM 0 HB1 ALA A 22 11.163 -17.304 17.516 1.00 14.52 H new ATOM 0 HB2 ALA A 22 10.489 -17.756 15.932 1.00 14.52 H new ATOM 0 HB3 ALA A 22 10.160 -16.144 16.612 1.00 14.52 H new ATOM 333 N PHE A 23 8.412 -15.759 18.810 1.00 32.21 N ATOM 334 CA PHE A 23 8.136 -14.959 20.014 1.00 75.11 C ATOM 335 C PHE A 23 7.172 -15.684 20.969 1.00 23.33 C ATOM 336 O PHE A 23 7.486 -15.901 22.144 1.00 35.42 O ATOM 337 CB PHE A 23 7.551 -13.591 19.618 1.00 73.10 C ATOM 338 CG PHE A 23 7.182 -12.720 20.796 1.00 21.22 C ATOM 339 CD1 PHE A 23 8.163 -12.056 21.520 1.00 10.43 C ATOM 340 CD2 PHE A 23 5.855 -12.567 21.181 1.00 10.34 C ATOM 341 CE1 PHE A 23 7.830 -11.263 22.602 1.00 51.02 C ATOM 342 CE2 PHE A 23 5.518 -11.774 22.261 1.00 20.21 C ATOM 343 CZ PHE A 23 6.507 -11.121 22.972 1.00 44.31 C ATOM 0 H PHE A 23 8.256 -15.261 17.934 1.00 32.21 H new ATOM 0 HA PHE A 23 9.080 -14.813 20.538 1.00 75.11 H new ATOM 0 HB2 PHE A 23 8.276 -13.062 19.000 1.00 73.10 H new ATOM 0 HB3 PHE A 23 6.665 -13.750 19.004 1.00 73.10 H new ATOM 0 HD1 PHE A 23 9.199 -12.160 21.234 1.00 10.43 H new ATOM 0 HD2 PHE A 23 5.078 -13.074 20.629 1.00 10.34 H new ATOM 0 HE1 PHE A 23 8.604 -10.755 23.158 1.00 51.02 H new ATOM 0 HE2 PHE A 23 4.483 -11.665 22.549 1.00 20.21 H new ATOM 0 HZ PHE A 23 6.246 -10.500 23.816 1.00 44.31 H new ATOM 353 N MET A 24 6.003 -16.070 20.456 1.00 54.23 N ATOM 354 CA MET A 24 4.993 -16.749 21.272 1.00 31.21 C ATOM 355 C MET A 24 5.472 -18.126 21.756 1.00 14.34 C ATOM 356 O MET A 24 5.093 -18.573 22.841 1.00 61.10 O ATOM 357 CB MET A 24 3.669 -16.877 20.500 1.00 31.14 C ATOM 358 CG MET A 24 2.950 -15.546 20.317 1.00 53.10 C ATOM 359 SD MET A 24 1.326 -15.718 19.548 1.00 63.31 S ATOM 360 CE MET A 24 1.769 -16.195 17.882 1.00 73.40 C ATOM 0 H MET A 24 5.732 -15.925 19.483 1.00 54.23 H new ATOM 0 HA MET A 24 4.826 -16.135 22.157 1.00 31.21 H new ATOM 0 HB2 MET A 24 3.867 -17.313 19.521 1.00 31.14 H new ATOM 0 HB3 MET A 24 3.012 -17.568 21.029 1.00 31.14 H new ATOM 0 HG2 MET A 24 2.836 -15.065 21.288 1.00 53.10 H new ATOM 0 HG3 MET A 24 3.567 -14.888 19.705 1.00 53.10 H new ATOM 0 HE1 MET A 24 0.877 -16.198 17.255 1.00 73.40 H new ATOM 0 HE2 MET A 24 2.492 -15.485 17.481 1.00 73.40 H new ATOM 0 HE3 MET A 24 2.208 -17.193 17.894 1.00 73.40 H new ATOM 370 N LYS A 25 6.314 -18.794 20.967 1.00 74.05 N ATOM 371 CA LYS A 25 6.827 -20.112 21.355 1.00 44.15 C ATOM 372 C LYS A 25 7.828 -20.006 22.520 1.00 30.11 C ATOM 373 O LYS A 25 7.817 -20.840 23.425 1.00 51.42 O ATOM 374 CB LYS A 25 7.480 -20.834 20.166 1.00 64.40 C ATOM 375 CG LYS A 25 7.847 -22.292 20.460 1.00 71.32 C ATOM 376 CD LYS A 25 6.611 -23.142 20.759 1.00 14.23 C ATOM 377 CE LYS A 25 6.968 -24.588 21.101 1.00 33.00 C ATOM 378 NZ LYS A 25 7.649 -24.710 22.419 1.00 71.42 N ATOM 0 H LYS A 25 6.653 -18.452 20.068 1.00 74.05 H new ATOM 0 HA LYS A 25 5.971 -20.699 21.687 1.00 44.15 H new ATOM 0 HB2 LYS A 25 6.799 -20.804 19.315 1.00 64.40 H new ATOM 0 HB3 LYS A 25 8.380 -20.293 19.873 1.00 64.40 H new ATOM 0 HG2 LYS A 25 8.378 -22.712 19.606 1.00 71.32 H new ATOM 0 HG3 LYS A 25 8.528 -22.331 21.310 1.00 71.32 H new ATOM 0 HD2 LYS A 25 6.062 -22.700 21.590 1.00 14.23 H new ATOM 0 HD3 LYS A 25 5.947 -23.129 19.895 1.00 14.23 H new ATOM 0 HE2 LYS A 25 6.060 -25.191 21.107 1.00 33.00 H new ATOM 0 HE3 LYS A 25 7.615 -24.993 20.323 1.00 33.00 H new ATOM 0 HZ1 LYS A 25 8.617 -25.064 22.278 1.00 71.42 H new ATOM 0 HZ2 LYS A 25 7.685 -23.778 22.879 1.00 71.42 H new ATOM 0 HZ3 LYS A 25 7.122 -25.373 23.022 1.00 71.42 H new ATOM 392 N VAL A 26 8.684 -18.977 22.502 1.00 73.14 N ATOM 393 CA VAL A 26 9.683 -18.777 23.569 1.00 20.11 C ATOM 394 C VAL A 26 9.042 -18.844 24.964 1.00 64.11 C ATOM 395 O VAL A 26 9.394 -19.704 25.777 1.00 73.32 O ATOM 396 CB VAL A 26 10.430 -17.427 23.419 1.00 14.31 C ATOM 397 CG1 VAL A 26 11.344 -17.175 24.619 1.00 25.31 C ATOM 398 CG2 VAL A 26 11.231 -17.391 22.117 1.00 3.32 C ATOM 0 H VAL A 26 8.708 -18.271 21.766 1.00 73.14 H new ATOM 0 HA VAL A 26 10.402 -19.589 23.466 1.00 20.11 H new ATOM 0 HB VAL A 26 9.685 -16.632 23.384 1.00 14.31 H new ATOM 0 HG11 VAL A 26 11.858 -16.222 24.491 1.00 25.31 H new ATOM 0 HG12 VAL A 26 10.748 -17.147 25.531 1.00 25.31 H new ATOM 0 HG13 VAL A 26 12.079 -17.977 24.691 1.00 25.31 H new ATOM 0 HG21 VAL A 26 11.747 -16.434 22.033 1.00 3.32 H new ATOM 0 HG22 VAL A 26 11.963 -18.199 22.118 1.00 3.32 H new ATOM 0 HG23 VAL A 26 10.555 -17.514 21.271 1.00 3.32 H new ATOM 408 N MET A 27 8.092 -17.946 25.229 1.00 43.31 N ATOM 409 CA MET A 27 7.365 -17.958 26.503 1.00 75.13 C ATOM 410 C MET A 27 6.608 -19.282 26.689 1.00 53.43 C ATOM 411 O MET A 27 6.557 -19.828 27.790 1.00 4.13 O ATOM 412 CB MET A 27 6.400 -16.764 26.597 1.00 24.33 C ATOM 413 CG MET A 27 5.349 -16.707 25.492 1.00 1.31 C ATOM 414 SD MET A 27 4.185 -15.348 25.724 1.00 70.13 S ATOM 415 CE MET A 27 3.128 -15.521 24.289 1.00 44.21 C ATOM 0 H MET A 27 7.808 -17.207 24.586 1.00 43.31 H new ATOM 0 HA MET A 27 8.096 -17.868 27.306 1.00 75.13 H new ATOM 0 HB2 MET A 27 5.893 -16.799 27.561 1.00 24.33 H new ATOM 0 HB3 MET A 27 6.981 -15.842 26.576 1.00 24.33 H new ATOM 0 HG2 MET A 27 5.845 -16.597 24.527 1.00 1.31 H new ATOM 0 HG3 MET A 27 4.803 -17.650 25.464 1.00 1.31 H new ATOM 0 HE1 MET A 27 3.370 -14.745 23.563 1.00 44.21 H new ATOM 0 HE2 MET A 27 3.284 -16.501 23.838 1.00 44.21 H new ATOM 0 HE3 MET A 27 2.085 -15.422 24.591 1.00 44.21 H new ATOM 425 N LEU A 28 6.057 -19.808 25.594 1.00 61.22 N ATOM 426 CA LEU A 28 5.329 -21.083 25.615 1.00 21.20 C ATOM 427 C LEU A 28 6.215 -22.234 26.134 1.00 74.11 C ATOM 428 O LEU A 28 5.728 -23.161 26.775 1.00 45.22 O ATOM 429 CB LEU A 28 4.797 -21.395 24.203 1.00 73.41 C ATOM 430 CG LEU A 28 3.878 -22.619 24.074 1.00 62.13 C ATOM 431 CD1 LEU A 28 2.706 -22.527 25.044 1.00 4.21 C ATOM 432 CD2 LEU A 28 3.373 -22.756 22.638 1.00 13.01 C ATOM 0 H LEU A 28 6.100 -19.369 24.674 1.00 61.22 H new ATOM 0 HA LEU A 28 4.489 -20.990 26.303 1.00 21.20 H new ATOM 0 HB2 LEU A 28 4.255 -20.521 23.841 1.00 73.41 H new ATOM 0 HB3 LEU A 28 5.651 -21.537 23.540 1.00 73.41 H new ATOM 0 HG LEU A 28 4.458 -23.507 24.327 1.00 62.13 H new ATOM 0 HD11 LEU A 28 2.071 -23.406 24.932 1.00 4.21 H new ATOM 0 HD12 LEU A 28 3.082 -22.479 26.066 1.00 4.21 H new ATOM 0 HD13 LEU A 28 2.125 -21.630 24.829 1.00 4.21 H new ATOM 0 HD21 LEU A 28 2.723 -23.628 22.562 1.00 13.01 H new ATOM 0 HD22 LEU A 28 2.814 -21.862 22.362 1.00 13.01 H new ATOM 0 HD23 LEU A 28 4.221 -22.876 21.964 1.00 13.01 H new ATOM 444 N ASN A 29 7.521 -22.165 25.864 1.00 1.30 N ATOM 445 CA ASN A 29 8.470 -23.161 26.386 1.00 50.43 C ATOM 446 C ASN A 29 8.592 -23.070 27.920 1.00 11.52 C ATOM 447 O ASN A 29 8.772 -24.084 28.600 1.00 40.15 O ATOM 448 CB ASN A 29 9.860 -22.983 25.758 1.00 14.44 C ATOM 449 CG ASN A 29 9.899 -23.304 24.273 1.00 33.41 C ATOM 450 OD1 ASN A 29 9.954 -24.459 23.874 1.00 33.44 O ATOM 451 ND2 ASN A 29 9.894 -22.289 23.439 1.00 25.41 N ATOM 0 H ASN A 29 7.947 -21.436 25.291 1.00 1.30 H new ATOM 0 HA ASN A 29 8.079 -24.143 26.119 1.00 50.43 H new ATOM 0 HB2 ASN A 29 10.189 -21.955 25.908 1.00 14.44 H new ATOM 0 HB3 ASN A 29 10.571 -23.625 26.279 1.00 14.44 H new ATOM 0 HD21 ASN A 29 9.937 -22.455 22.433 1.00 25.41 H new ATOM 0 HD22 ASN A 29 9.848 -21.335 23.797 1.00 25.41 H new ATOM 458 N ARG A 30 8.504 -21.849 28.454 1.00 35.41 N ATOM 459 CA ARG A 30 8.622 -21.618 29.902 1.00 54.13 C ATOM 460 C ARG A 30 7.315 -21.947 30.645 1.00 3.24 C ATOM 461 O ARG A 30 7.332 -22.335 31.818 1.00 51.33 O ATOM 462 CB ARG A 30 9.050 -20.163 30.177 1.00 41.44 C ATOM 463 CG ARG A 30 10.564 -19.965 30.261 1.00 43.24 C ATOM 464 CD ARG A 30 11.280 -20.313 28.956 1.00 60.23 C ATOM 465 NE ARG A 30 12.733 -20.223 29.099 1.00 75.43 N ATOM 466 CZ ARG A 30 13.582 -20.304 28.111 1.00 31.23 C ATOM 467 NH1 ARG A 30 13.172 -20.463 26.893 1.00 51.23 N ATOM 468 NH2 ARG A 30 14.849 -20.216 28.348 1.00 62.41 N ATOM 0 H ARG A 30 8.351 -21.002 27.907 1.00 35.41 H new ATOM 0 HA ARG A 30 9.389 -22.293 30.282 1.00 54.13 H new ATOM 0 HB2 ARG A 30 8.654 -19.523 29.388 1.00 41.44 H new ATOM 0 HB3 ARG A 30 8.598 -19.833 31.112 1.00 41.44 H new ATOM 0 HG2 ARG A 30 10.776 -18.928 30.521 1.00 43.24 H new ATOM 0 HG3 ARG A 30 10.963 -20.584 31.065 1.00 43.24 H new ATOM 0 HD2 ARG A 30 11.006 -21.322 28.648 1.00 60.23 H new ATOM 0 HD3 ARG A 30 10.949 -19.638 28.167 1.00 60.23 H new ATOM 0 HE ARG A 30 13.109 -20.087 30.037 1.00 75.43 H new ATOM 0 HH11 ARG A 30 12.173 -20.527 26.695 1.00 51.23 H new ATOM 0 HH12 ARG A 30 13.848 -20.525 26.131 1.00 51.23 H new ATOM 0 HH21 ARG A 30 15.181 -20.084 29.303 1.00 62.41 H new ATOM 0 HH22 ARG A 30 15.517 -20.279 27.580 1.00 62.41 H new ATOM 482 N TYR A 31 6.185 -21.780 29.969 1.00 3.24 N ATOM 483 CA TYR A 31 4.890 -22.157 30.538 1.00 70.02 C ATOM 484 C TYR A 31 4.593 -23.645 30.274 1.00 1.43 C ATOM 485 O TYR A 31 4.370 -24.052 29.134 1.00 63.11 O ATOM 486 CB TYR A 31 3.763 -21.289 29.956 1.00 11.32 C ATOM 487 CG TYR A 31 3.856 -19.810 30.303 1.00 31.24 C ATOM 488 CD1 TYR A 31 3.524 -19.350 31.573 1.00 44.43 C ATOM 489 CD2 TYR A 31 4.255 -18.874 29.355 1.00 2.51 C ATOM 490 CE1 TYR A 31 3.592 -18.004 31.887 1.00 41.43 C ATOM 491 CE2 TYR A 31 4.328 -17.528 29.662 1.00 52.12 C ATOM 492 CZ TYR A 31 3.993 -17.097 30.928 1.00 52.55 C ATOM 493 OH TYR A 31 4.064 -15.756 31.240 1.00 73.31 O ATOM 0 H TYR A 31 6.135 -21.388 29.029 1.00 3.24 H new ATOM 0 HA TYR A 31 4.938 -21.992 31.614 1.00 70.02 H new ATOM 0 HB2 TYR A 31 3.765 -21.395 28.871 1.00 11.32 H new ATOM 0 HB3 TYR A 31 2.807 -21.672 30.312 1.00 11.32 H new ATOM 0 HD1 TYR A 31 3.208 -20.056 32.327 1.00 44.43 H new ATOM 0 HD2 TYR A 31 4.513 -19.205 28.360 1.00 2.51 H new ATOM 0 HE1 TYR A 31 3.332 -17.665 32.879 1.00 41.43 H new ATOM 0 HE2 TYR A 31 4.646 -16.817 28.913 1.00 52.12 H new ATOM 0 HH TYR A 31 4.268 -15.242 30.431 1.00 73.31 H new ATOM 503 N ARG A 32 4.595 -24.455 31.333 1.00 70.30 N ATOM 504 CA ARG A 32 4.321 -25.893 31.208 1.00 63.41 C ATOM 505 C ARG A 32 2.822 -26.151 30.985 1.00 61.24 C ATOM 506 O ARG A 32 1.998 -25.263 31.208 1.00 32.25 O ATOM 507 CB ARG A 32 4.782 -26.652 32.470 1.00 61.02 C ATOM 508 CG ARG A 32 6.293 -26.677 32.708 1.00 10.24 C ATOM 509 CD ARG A 32 6.831 -25.364 33.273 1.00 23.42 C ATOM 510 NE ARG A 32 8.136 -25.548 33.909 1.00 53.10 N ATOM 511 CZ ARG A 32 8.822 -24.598 34.486 1.00 24.44 C ATOM 512 NH1 ARG A 32 8.410 -23.373 34.472 1.00 34.41 N ATOM 513 NH2 ARG A 32 9.933 -24.881 35.076 1.00 42.41 N ATOM 0 H ARG A 32 4.782 -24.144 32.286 1.00 70.30 H new ATOM 0 HA ARG A 32 4.879 -26.256 30.345 1.00 63.41 H new ATOM 0 HB2 ARG A 32 4.302 -26.202 33.339 1.00 61.02 H new ATOM 0 HB3 ARG A 32 4.425 -27.680 32.405 1.00 61.02 H new ATOM 0 HG2 ARG A 32 6.533 -27.488 33.396 1.00 10.24 H new ATOM 0 HG3 ARG A 32 6.800 -26.896 31.768 1.00 10.24 H new ATOM 0 HD2 ARG A 32 6.916 -24.630 32.472 1.00 23.42 H new ATOM 0 HD3 ARG A 32 6.124 -24.963 34.000 1.00 23.42 H new ATOM 0 HE ARG A 32 8.539 -26.485 33.901 1.00 53.10 H new ATOM 0 HH11 ARG A 32 7.535 -23.134 34.005 1.00 34.41 H new ATOM 0 HH12 ARG A 32 8.960 -22.645 34.928 1.00 34.41 H new ATOM 0 HH21 ARG A 32 10.272 -25.843 35.091 1.00 42.41 H new ATOM 0 HH22 ARG A 32 10.473 -24.143 35.528 1.00 42.41 H new ATOM 527 N PRO A 33 2.441 -27.369 30.525 1.00 74.34 N ATOM 528 CA PRO A 33 1.027 -27.773 30.445 1.00 71.43 C ATOM 529 C PRO A 33 0.366 -27.778 31.829 1.00 42.40 C ATOM 530 O PRO A 33 0.174 -28.821 32.462 1.00 70.04 O ATOM 531 CB PRO A 33 1.072 -29.184 29.840 1.00 53.54 C ATOM 532 CG PRO A 33 2.467 -29.654 30.071 1.00 32.33 C ATOM 533 CD PRO A 33 3.339 -28.427 30.033 1.00 50.35 C ATOM 0 HA PRO A 33 0.432 -27.083 29.846 1.00 71.43 H new ATOM 0 HB2 PRO A 33 0.348 -29.843 30.319 1.00 53.54 H new ATOM 0 HB3 PRO A 33 0.832 -29.166 28.777 1.00 53.54 H new ATOM 0 HG2 PRO A 33 2.552 -30.162 31.032 1.00 32.33 H new ATOM 0 HG3 PRO A 33 2.768 -30.369 29.305 1.00 32.33 H new ATOM 0 HD2 PRO A 33 4.219 -28.537 30.667 1.00 50.35 H new ATOM 0 HD3 PRO A 33 3.697 -28.217 29.025 1.00 50.35 H new ATOM 541 N GLY A 34 0.068 -26.580 32.293 1.00 54.24 N ATOM 542 CA GLY A 34 -0.520 -26.383 33.613 1.00 22.33 C ATOM 543 C GLY A 34 -0.281 -24.978 34.165 1.00 14.11 C ATOM 544 O GLY A 34 -0.871 -24.592 35.178 1.00 63.42 O ATOM 0 H GLY A 34 0.224 -25.717 31.772 1.00 54.24 H new ATOM 0 HA2 GLY A 34 -1.593 -26.570 33.559 1.00 22.33 H new ATOM 0 HA3 GLY A 34 -0.103 -27.116 34.304 1.00 22.33 H new ATOM 548 N ASP A 35 0.606 -24.223 33.517 1.00 73.31 N ATOM 549 CA ASP A 35 0.881 -22.832 33.897 1.00 12.42 C ATOM 550 C ASP A 35 -0.132 -21.848 33.293 1.00 32.34 C ATOM 551 O ASP A 35 -0.647 -22.053 32.192 1.00 42.35 O ATOM 552 CB ASP A 35 2.291 -22.425 33.450 1.00 54.32 C ATOM 553 CG ASP A 35 3.371 -22.912 34.392 1.00 54.21 C ATOM 554 OD1 ASP A 35 3.699 -22.179 35.347 1.00 32.41 O ATOM 555 OD2 ASP A 35 3.910 -24.013 34.176 1.00 70.54 O ATOM 0 H ASP A 35 1.151 -24.552 32.720 1.00 73.31 H new ATOM 0 HA ASP A 35 0.798 -22.784 34.983 1.00 12.42 H new ATOM 0 HB2 ASP A 35 2.479 -22.823 32.453 1.00 54.32 H new ATOM 0 HB3 ASP A 35 2.344 -21.339 33.375 1.00 54.32 H new ATOM 560 N ILE A 36 -0.401 -20.774 34.031 1.00 32.11 N ATOM 561 CA ILE A 36 -1.197 -19.658 33.522 1.00 53.11 C ATOM 562 C ILE A 36 -0.283 -18.587 32.909 1.00 31.44 C ATOM 563 O ILE A 36 0.769 -18.259 33.468 1.00 31.15 O ATOM 564 CB ILE A 36 -2.054 -19.014 34.644 1.00 34.15 C ATOM 565 CG1 ILE A 36 -3.005 -20.055 35.256 1.00 12.13 C ATOM 566 CG2 ILE A 36 -2.841 -17.812 34.116 1.00 52.33 C ATOM 567 CD1 ILE A 36 -3.990 -20.646 34.268 1.00 61.30 C ATOM 0 H ILE A 36 -0.077 -20.652 34.990 1.00 32.11 H new ATOM 0 HA ILE A 36 -1.865 -20.055 32.758 1.00 53.11 H new ATOM 0 HB ILE A 36 -1.379 -18.657 35.422 1.00 34.15 H new ATOM 0 HG12 ILE A 36 -2.414 -20.861 35.690 1.00 12.13 H new ATOM 0 HG13 ILE A 36 -3.559 -19.591 36.072 1.00 12.13 H new ATOM 0 HG21 ILE A 36 -3.432 -17.381 34.924 1.00 52.33 H new ATOM 0 HG22 ILE A 36 -2.148 -17.063 33.734 1.00 52.33 H new ATOM 0 HG23 ILE A 36 -3.504 -18.135 33.314 1.00 52.33 H new ATOM 0 HD11 ILE A 36 -4.625 -21.371 34.777 1.00 61.30 H new ATOM 0 HD12 ILE A 36 -4.609 -19.851 33.851 1.00 61.30 H new ATOM 0 HD13 ILE A 36 -3.446 -21.141 33.464 1.00 61.30 H new ATOM 579 N VAL A 37 -0.680 -18.060 31.757 1.00 41.10 N ATOM 580 CA VAL A 37 0.083 -17.010 31.080 1.00 61.53 C ATOM 581 C VAL A 37 -0.038 -15.668 31.825 1.00 21.33 C ATOM 582 O VAL A 37 -1.101 -15.332 32.353 1.00 74.51 O ATOM 583 CB VAL A 37 -0.392 -16.842 29.615 1.00 14.24 C ATOM 584 CG1 VAL A 37 0.429 -15.779 28.887 1.00 44.30 C ATOM 585 CG2 VAL A 37 -0.326 -18.179 28.877 1.00 75.41 C ATOM 0 H VAL A 37 -1.529 -18.342 31.268 1.00 41.10 H new ATOM 0 HA VAL A 37 1.130 -17.314 31.079 1.00 61.53 H new ATOM 0 HB VAL A 37 -1.429 -16.506 29.631 1.00 14.24 H new ATOM 0 HG11 VAL A 37 0.073 -15.683 27.861 1.00 44.30 H new ATOM 0 HG12 VAL A 37 0.322 -14.823 29.399 1.00 44.30 H new ATOM 0 HG13 VAL A 37 1.479 -16.071 28.881 1.00 44.30 H new ATOM 0 HG21 VAL A 37 -0.663 -18.044 27.849 1.00 75.41 H new ATOM 0 HG22 VAL A 37 0.701 -18.544 28.877 1.00 75.41 H new ATOM 0 HG23 VAL A 37 -0.969 -18.903 29.378 1.00 75.41 H new ATOM 595 N SER A 38 1.057 -14.910 31.870 1.00 4.15 N ATOM 596 CA SER A 38 1.091 -13.628 32.592 1.00 72.24 C ATOM 597 C SER A 38 0.128 -12.597 31.986 1.00 52.35 C ATOM 598 O SER A 38 -0.434 -12.802 30.910 1.00 11.24 O ATOM 599 CB SER A 38 2.509 -13.046 32.577 1.00 20.24 C ATOM 600 OG SER A 38 2.833 -12.507 31.302 1.00 41.24 O ATOM 0 H SER A 38 1.936 -15.158 31.416 1.00 4.15 H new ATOM 0 HA SER A 38 0.777 -13.834 33.615 1.00 72.24 H new ATOM 0 HB2 SER A 38 2.593 -12.267 33.335 1.00 20.24 H new ATOM 0 HB3 SER A 38 3.226 -13.824 32.838 1.00 20.24 H new ATOM 0 HG SER A 38 3.490 -13.084 30.860 1.00 41.24 H new ATOM 606 N THR A 39 -0.044 -11.477 32.681 1.00 2.43 N ATOM 607 CA THR A 39 -0.895 -10.384 32.194 1.00 72.50 C ATOM 608 C THR A 39 -0.268 -9.700 30.968 1.00 44.03 C ATOM 609 O THR A 39 -0.970 -9.317 30.033 1.00 54.23 O ATOM 610 CB THR A 39 -1.144 -9.329 33.304 1.00 20.33 C ATOM 611 OG1 THR A 39 -1.744 -9.958 34.447 1.00 32.32 O ATOM 612 CG2 THR A 39 -2.050 -8.203 32.812 1.00 13.44 C ATOM 0 H THR A 39 0.393 -11.297 33.585 1.00 2.43 H new ATOM 0 HA THR A 39 -1.850 -10.823 31.906 1.00 72.50 H new ATOM 0 HB THR A 39 -0.181 -8.898 33.578 1.00 20.33 H new ATOM 0 HG1 THR A 39 -1.898 -9.288 35.146 1.00 32.32 H new ATOM 0 HG21 THR A 39 -2.203 -7.482 33.615 1.00 13.44 H new ATOM 0 HG22 THR A 39 -1.583 -7.706 31.962 1.00 13.44 H new ATOM 0 HG23 THR A 39 -3.011 -8.616 32.507 1.00 13.44 H new ATOM 620 N VAL A 40 1.059 -9.565 30.972 1.00 53.00 N ATOM 621 CA VAL A 40 1.782 -8.966 29.840 1.00 50.34 C ATOM 622 C VAL A 40 1.656 -9.836 28.577 1.00 64.01 C ATOM 623 O VAL A 40 1.136 -9.391 27.550 1.00 1.23 O ATOM 624 CB VAL A 40 3.286 -8.761 30.171 1.00 5.02 C ATOM 625 CG1 VAL A 40 4.032 -8.158 28.979 1.00 65.55 C ATOM 626 CG2 VAL A 40 3.451 -7.884 31.412 1.00 60.24 C ATOM 0 H VAL A 40 1.658 -9.861 31.743 1.00 53.00 H new ATOM 0 HA VAL A 40 1.326 -7.994 29.653 1.00 50.34 H new ATOM 0 HB VAL A 40 3.721 -9.738 30.382 1.00 5.02 H new ATOM 0 HG11 VAL A 40 5.083 -8.025 29.237 1.00 65.55 H new ATOM 0 HG12 VAL A 40 3.951 -8.827 28.123 1.00 65.55 H new ATOM 0 HG13 VAL A 40 3.595 -7.192 28.727 1.00 65.55 H new ATOM 0 HG21 VAL A 40 4.512 -7.753 31.626 1.00 60.24 H new ATOM 0 HG22 VAL A 40 2.994 -6.911 31.233 1.00 60.24 H new ATOM 0 HG23 VAL A 40 2.965 -8.362 32.263 1.00 60.24 H new ATOM 636 N ASP A 41 2.119 -11.081 28.669 1.00 73.45 N ATOM 637 CA ASP A 41 2.041 -12.020 27.546 1.00 51.44 C ATOM 638 C ASP A 41 0.576 -12.313 27.179 1.00 71.43 C ATOM 639 O ASP A 41 0.228 -12.456 26.005 1.00 73.12 O ATOM 640 CB ASP A 41 2.767 -13.323 27.895 1.00 21.30 C ATOM 641 CG ASP A 41 4.203 -13.095 28.342 1.00 70.13 C ATOM 642 OD1 ASP A 41 4.968 -12.441 27.604 1.00 55.21 O ATOM 643 OD2 ASP A 41 4.577 -13.576 29.435 1.00 2.44 O ATOM 0 H ASP A 41 2.553 -11.465 29.508 1.00 73.45 H new ATOM 0 HA ASP A 41 2.526 -11.563 26.684 1.00 51.44 H new ATOM 0 HB2 ASP A 41 2.222 -13.837 28.687 1.00 21.30 H new ATOM 0 HB3 ASP A 41 2.762 -13.981 27.026 1.00 21.30 H new ATOM 648 N GLY A 42 -0.280 -12.388 28.199 1.00 51.33 N ATOM 649 CA GLY A 42 -1.707 -12.593 27.982 1.00 1.14 C ATOM 650 C GLY A 42 -2.350 -11.476 27.166 1.00 4.23 C ATOM 651 O GLY A 42 -3.171 -11.737 26.286 1.00 63.10 O ATOM 0 H GLY A 42 -0.008 -12.310 29.179 1.00 51.33 H new ATOM 0 HA2 GLY A 42 -1.859 -13.543 27.470 1.00 1.14 H new ATOM 0 HA3 GLY A 42 -2.209 -12.667 28.947 1.00 1.14 H new ATOM 655 N ALA A 43 -1.970 -10.226 27.454 1.00 24.43 N ATOM 656 CA ALA A 43 -2.457 -9.068 26.692 1.00 32.22 C ATOM 657 C ALA A 43 -2.110 -9.200 25.203 1.00 71.34 C ATOM 658 O ALA A 43 -2.916 -8.870 24.328 1.00 23.41 O ATOM 659 CB ALA A 43 -1.877 -7.775 27.261 1.00 53.51 C ATOM 0 H ALA A 43 -1.327 -9.989 28.209 1.00 24.43 H new ATOM 0 HA ALA A 43 -3.543 -9.036 26.784 1.00 32.22 H new ATOM 0 HB1 ALA A 43 -2.247 -6.926 26.686 1.00 53.51 H new ATOM 0 HB2 ALA A 43 -2.180 -7.668 28.302 1.00 53.51 H new ATOM 0 HB3 ALA A 43 -0.789 -7.807 27.201 1.00 53.51 H new ATOM 665 N PHE A 44 -0.906 -9.696 24.929 1.00 32.44 N ATOM 666 CA PHE A 44 -0.475 -9.975 23.558 1.00 65.14 C ATOM 667 C PHE A 44 -1.404 -11.006 22.895 1.00 32.21 C ATOM 668 O PHE A 44 -1.882 -10.803 21.778 1.00 41.12 O ATOM 669 CB PHE A 44 0.973 -10.487 23.560 1.00 44.33 C ATOM 670 CG PHE A 44 1.536 -10.766 22.187 1.00 72.25 C ATOM 671 CD1 PHE A 44 1.383 -12.013 21.595 1.00 65.12 C ATOM 672 CD2 PHE A 44 2.221 -9.780 21.490 1.00 2.20 C ATOM 673 CE1 PHE A 44 1.898 -12.267 20.341 1.00 0.13 C ATOM 674 CE2 PHE A 44 2.738 -10.034 20.235 1.00 55.34 C ATOM 675 CZ PHE A 44 2.575 -11.278 19.661 1.00 32.12 C ATOM 0 H PHE A 44 -0.208 -9.914 25.640 1.00 32.44 H new ATOM 0 HA PHE A 44 -0.525 -9.051 22.982 1.00 65.14 H new ATOM 0 HB2 PHE A 44 1.605 -9.751 24.056 1.00 44.33 H new ATOM 0 HB3 PHE A 44 1.022 -11.401 24.152 1.00 44.33 H new ATOM 0 HD1 PHE A 44 0.854 -12.793 22.123 1.00 65.12 H new ATOM 0 HD2 PHE A 44 2.351 -8.804 21.934 1.00 2.20 H new ATOM 0 HE1 PHE A 44 1.771 -13.241 19.892 1.00 0.13 H new ATOM 0 HE2 PHE A 44 3.270 -9.259 19.703 1.00 55.34 H new ATOM 0 HZ PHE A 44 2.978 -11.477 18.679 1.00 32.12 H new ATOM 685 N LEU A 45 -1.656 -12.109 23.601 1.00 13.21 N ATOM 686 CA LEU A 45 -2.552 -13.164 23.111 1.00 31.35 C ATOM 687 C LEU A 45 -3.967 -12.630 22.820 1.00 43.41 C ATOM 688 O LEU A 45 -4.595 -13.017 21.830 1.00 42.23 O ATOM 689 CB LEU A 45 -2.625 -14.306 24.132 1.00 53.21 C ATOM 690 CG LEU A 45 -1.307 -15.068 24.363 1.00 15.24 C ATOM 691 CD1 LEU A 45 -1.462 -16.094 25.483 1.00 31.10 C ATOM 692 CD2 LEU A 45 -0.844 -15.744 23.071 1.00 22.53 C ATOM 0 H LEU A 45 -1.252 -12.298 24.518 1.00 13.21 H new ATOM 0 HA LEU A 45 -2.140 -13.535 22.173 1.00 31.35 H new ATOM 0 HB2 LEU A 45 -2.961 -13.898 25.085 1.00 53.21 H new ATOM 0 HB3 LEU A 45 -3.384 -15.017 23.804 1.00 53.21 H new ATOM 0 HG LEU A 45 -0.546 -14.349 24.666 1.00 15.24 H new ATOM 0 HD11 LEU A 45 -0.518 -16.620 25.628 1.00 31.10 H new ATOM 0 HD12 LEU A 45 -1.740 -15.586 26.406 1.00 31.10 H new ATOM 0 HD13 LEU A 45 -2.239 -16.810 25.215 1.00 31.10 H new ATOM 0 HD21 LEU A 45 0.089 -16.278 23.254 1.00 22.53 H new ATOM 0 HD22 LEU A 45 -1.605 -16.448 22.736 1.00 22.53 H new ATOM 0 HD23 LEU A 45 -0.685 -14.988 22.302 1.00 22.53 H new ATOM 704 N VAL A 46 -4.464 -11.745 23.684 1.00 52.01 N ATOM 705 CA VAL A 46 -5.778 -11.124 23.484 1.00 61.44 C ATOM 706 C VAL A 46 -5.848 -10.397 22.129 1.00 61.52 C ATOM 707 O VAL A 46 -6.751 -10.642 21.330 1.00 32.44 O ATOM 708 CB VAL A 46 -6.124 -10.126 24.626 1.00 23.03 C ATOM 709 CG1 VAL A 46 -7.449 -9.413 24.353 1.00 73.11 C ATOM 710 CG2 VAL A 46 -6.172 -10.842 25.976 1.00 14.52 C ATOM 0 H VAL A 46 -3.979 -11.441 24.528 1.00 52.01 H new ATOM 0 HA VAL A 46 -6.511 -11.930 23.495 1.00 61.44 H new ATOM 0 HB VAL A 46 -5.335 -9.374 24.661 1.00 23.03 H new ATOM 0 HG11 VAL A 46 -7.665 -8.722 25.168 1.00 73.11 H new ATOM 0 HG12 VAL A 46 -7.378 -8.859 23.417 1.00 73.11 H new ATOM 0 HG13 VAL A 46 -8.250 -10.149 24.280 1.00 73.11 H new ATOM 0 HG21 VAL A 46 -6.416 -10.125 26.760 1.00 14.52 H new ATOM 0 HG22 VAL A 46 -6.934 -11.621 25.948 1.00 14.52 H new ATOM 0 HG23 VAL A 46 -5.201 -11.291 26.184 1.00 14.52 H new ATOM 720 N GLU A 47 -4.877 -9.522 21.865 1.00 21.33 N ATOM 721 CA GLU A 47 -4.825 -8.789 20.592 1.00 15.01 C ATOM 722 C GLU A 47 -4.644 -9.735 19.391 1.00 61.31 C ATOM 723 O GLU A 47 -5.220 -9.510 18.322 1.00 64.32 O ATOM 724 CB GLU A 47 -3.700 -7.745 20.617 1.00 24.41 C ATOM 725 CG GLU A 47 -3.966 -6.567 21.551 1.00 32.14 C ATOM 726 CD GLU A 47 -5.215 -5.783 21.171 1.00 55.41 C ATOM 727 OE1 GLU A 47 -5.283 -5.284 20.026 1.00 2.21 O ATOM 728 OE2 GLU A 47 -6.131 -5.663 22.008 1.00 32.03 O ATOM 0 H GLU A 47 -4.118 -9.302 22.510 1.00 21.33 H new ATOM 0 HA GLU A 47 -5.782 -8.281 20.472 1.00 15.01 H new ATOM 0 HB2 GLU A 47 -2.773 -8.232 20.919 1.00 24.41 H new ATOM 0 HB3 GLU A 47 -3.547 -7.367 19.606 1.00 24.41 H new ATOM 0 HG2 GLU A 47 -4.070 -6.935 22.572 1.00 32.14 H new ATOM 0 HG3 GLU A 47 -3.105 -5.898 21.539 1.00 32.14 H new ATOM 735 N ALA A 48 -3.844 -10.788 19.570 1.00 72.10 N ATOM 736 CA ALA A 48 -3.659 -11.809 18.528 1.00 43.11 C ATOM 737 C ALA A 48 -4.987 -12.512 18.201 1.00 64.20 C ATOM 738 O ALA A 48 -5.250 -12.882 17.052 1.00 12.43 O ATOM 739 CB ALA A 48 -2.605 -12.828 18.961 1.00 33.51 C ATOM 0 H ALA A 48 -3.313 -10.959 20.424 1.00 72.10 H new ATOM 0 HA ALA A 48 -3.311 -11.310 17.623 1.00 43.11 H new ATOM 0 HB1 ALA A 48 -2.480 -13.577 18.179 1.00 33.51 H new ATOM 0 HB2 ALA A 48 -1.656 -12.320 19.132 1.00 33.51 H new ATOM 0 HB3 ALA A 48 -2.926 -13.315 19.882 1.00 33.51 H new ATOM 745 N LEU A 49 -5.825 -12.686 19.219 1.00 22.02 N ATOM 746 CA LEU A 49 -7.157 -13.269 19.043 1.00 21.32 C ATOM 747 C LEU A 49 -8.121 -12.272 18.378 1.00 72.33 C ATOM 748 O LEU A 49 -8.763 -12.591 17.378 1.00 53.23 O ATOM 749 CB LEU A 49 -7.726 -13.711 20.401 1.00 20.23 C ATOM 750 CG LEU A 49 -9.169 -14.243 20.367 1.00 71.13 C ATOM 751 CD1 LEU A 49 -9.278 -15.455 19.446 1.00 70.01 C ATOM 752 CD2 LEU A 49 -9.654 -14.581 21.776 1.00 11.43 C ATOM 0 H LEU A 49 -5.605 -12.430 20.182 1.00 22.02 H new ATOM 0 HA LEU A 49 -7.057 -14.136 18.390 1.00 21.32 H new ATOM 0 HB2 LEU A 49 -7.080 -14.487 20.812 1.00 20.23 H new ATOM 0 HB3 LEU A 49 -7.684 -12.865 21.087 1.00 20.23 H new ATOM 0 HG LEU A 49 -9.812 -13.459 19.968 1.00 71.13 H new ATOM 0 HD11 LEU A 49 -10.307 -15.814 19.438 1.00 70.01 H new ATOM 0 HD12 LEU A 49 -8.984 -15.172 18.435 1.00 70.01 H new ATOM 0 HD13 LEU A 49 -8.621 -16.246 19.806 1.00 70.01 H new ATOM 0 HD21 LEU A 49 -10.677 -14.955 21.729 1.00 11.43 H new ATOM 0 HD22 LEU A 49 -9.008 -15.344 22.210 1.00 11.43 H new ATOM 0 HD23 LEU A 49 -9.624 -13.685 22.396 1.00 11.43 H new ATOM 764 N LYS A 50 -8.194 -11.063 18.935 1.00 51.33 N ATOM 765 CA LYS A 50 -9.146 -10.032 18.486 1.00 24.24 C ATOM 766 C LYS A 50 -9.120 -9.798 16.965 1.00 62.43 C ATOM 767 O LYS A 50 -10.147 -9.483 16.366 1.00 53.14 O ATOM 768 CB LYS A 50 -8.874 -8.715 19.222 1.00 21.24 C ATOM 769 CG LYS A 50 -9.180 -8.784 20.715 1.00 61.40 C ATOM 770 CD LYS A 50 -8.675 -7.551 21.462 1.00 4.04 C ATOM 771 CE LYS A 50 -9.277 -6.257 20.923 1.00 13.42 C ATOM 772 NZ LYS A 50 -8.754 -5.065 21.643 1.00 44.50 N ATOM 0 H LYS A 50 -7.599 -10.766 19.708 1.00 51.33 H new ATOM 0 HA LYS A 50 -10.143 -10.401 18.727 1.00 24.24 H new ATOM 0 HB2 LYS A 50 -7.828 -8.439 19.085 1.00 21.24 H new ATOM 0 HB3 LYS A 50 -9.474 -7.924 18.771 1.00 21.24 H new ATOM 0 HG2 LYS A 50 -10.256 -8.880 20.860 1.00 61.40 H new ATOM 0 HG3 LYS A 50 -8.720 -9.677 21.138 1.00 61.40 H new ATOM 0 HD2 LYS A 50 -8.916 -7.647 22.521 1.00 4.04 H new ATOM 0 HD3 LYS A 50 -7.589 -7.503 21.385 1.00 4.04 H new ATOM 0 HE2 LYS A 50 -9.054 -6.167 19.860 1.00 13.42 H new ATOM 0 HE3 LYS A 50 -10.362 -6.293 21.019 1.00 13.42 H new ATOM 0 HZ1 LYS A 50 -8.634 -4.279 20.972 1.00 44.50 H new ATOM 0 HZ2 LYS A 50 -9.426 -4.786 22.386 1.00 44.50 H new ATOM 0 HZ3 LYS A 50 -7.836 -5.295 22.075 1.00 44.50 H new ATOM 786 N ARG A 51 -7.958 -9.967 16.334 1.00 13.42 N ATOM 787 CA ARG A 51 -7.850 -9.780 14.881 1.00 41.05 C ATOM 788 C ARG A 51 -8.249 -11.054 14.099 1.00 14.24 C ATOM 789 O ARG A 51 -7.827 -11.258 12.961 1.00 10.45 O ATOM 790 CB ARG A 51 -6.435 -9.309 14.494 1.00 2.01 C ATOM 791 CG ARG A 51 -5.312 -10.284 14.833 1.00 53.13 C ATOM 792 CD ARG A 51 -3.952 -9.709 14.438 1.00 72.32 C ATOM 793 NE ARG A 51 -3.902 -9.346 13.017 1.00 11.32 N ATOM 794 CZ ARG A 51 -3.105 -8.440 12.506 1.00 65.11 C ATOM 795 NH1 ARG A 51 -2.298 -7.756 13.253 1.00 64.31 N ATOM 796 NH2 ARG A 51 -3.132 -8.202 11.238 1.00 60.30 N ATOM 0 H ARG A 51 -7.087 -10.230 16.796 1.00 13.42 H new ATOM 0 HA ARG A 51 -8.559 -9.001 14.600 1.00 41.05 H new ATOM 0 HB2 ARG A 51 -6.415 -9.114 13.422 1.00 2.01 H new ATOM 0 HB3 ARG A 51 -6.235 -8.361 14.994 1.00 2.01 H new ATOM 0 HG2 ARG A 51 -5.323 -10.501 15.901 1.00 53.13 H new ATOM 0 HG3 ARG A 51 -5.476 -11.229 14.315 1.00 53.13 H new ATOM 0 HD2 ARG A 51 -3.740 -8.829 15.045 1.00 72.32 H new ATOM 0 HD3 ARG A 51 -3.173 -10.440 14.653 1.00 72.32 H new ATOM 0 HE ARG A 51 -4.533 -9.834 12.381 1.00 11.32 H new ATOM 0 HH11 ARG A 51 -2.274 -7.918 14.260 1.00 64.31 H new ATOM 0 HH12 ARG A 51 -1.686 -7.055 12.835 1.00 64.31 H new ATOM 0 HH21 ARG A 51 -3.773 -8.719 10.636 1.00 60.30 H new ATOM 0 HH22 ARG A 51 -2.513 -7.497 10.838 1.00 60.30 H new ATOM 810 N HIS A 52 -9.076 -11.900 14.721 1.00 74.31 N ATOM 811 CA HIS A 52 -9.678 -13.066 14.051 1.00 72.03 C ATOM 812 C HIS A 52 -11.177 -12.837 13.782 1.00 41.43 C ATOM 813 O HIS A 52 -11.852 -12.145 14.545 1.00 64.42 O ATOM 814 CB HIS A 52 -9.522 -14.324 14.918 1.00 13.41 C ATOM 815 CG HIS A 52 -8.180 -14.977 14.832 1.00 4.50 C ATOM 816 ND1 HIS A 52 -7.129 -14.662 15.665 1.00 53.24 N ATOM 817 CD2 HIS A 52 -7.728 -15.961 14.018 1.00 64.44 C ATOM 818 CE1 HIS A 52 -6.094 -15.423 15.371 1.00 53.41 C ATOM 819 NE2 HIS A 52 -6.428 -16.223 14.374 1.00 14.21 N ATOM 0 H HIS A 52 -9.349 -11.800 15.699 1.00 74.31 H new ATOM 0 HA HIS A 52 -9.158 -13.202 13.103 1.00 72.03 H new ATOM 0 HB2 HIS A 52 -9.717 -14.059 15.957 1.00 13.41 H new ATOM 0 HB3 HIS A 52 -10.283 -15.048 14.625 1.00 13.41 H new ATOM 0 HD2 HIS A 52 -8.287 -16.449 13.234 1.00 64.44 H new ATOM 0 HE1 HIS A 52 -5.133 -15.397 15.863 1.00 53.41 H new ATOM 0 HE2 HIS A 52 -5.821 -16.919 13.941 1.00 14.21 H new ATOM 828 N PRO A 53 -11.727 -13.429 12.703 1.00 1.54 N ATOM 829 CA PRO A 53 -13.178 -13.388 12.436 1.00 10.52 C ATOM 830 C PRO A 53 -13.974 -14.237 13.445 1.00 43.02 C ATOM 831 O PRO A 53 -15.154 -13.984 13.702 1.00 64.52 O ATOM 832 CB PRO A 53 -13.294 -13.972 11.021 1.00 31.14 C ATOM 833 CG PRO A 53 -12.091 -14.842 10.875 1.00 55.32 C ATOM 834 CD PRO A 53 -10.993 -14.166 11.653 1.00 14.15 C ATOM 0 HA PRO A 53 -13.588 -12.382 12.526 1.00 10.52 H new ATOM 0 HB2 PRO A 53 -14.214 -14.544 10.902 1.00 31.14 H new ATOM 0 HB3 PRO A 53 -13.308 -13.185 10.267 1.00 31.14 H new ATOM 0 HG2 PRO A 53 -12.284 -15.843 11.262 1.00 55.32 H new ATOM 0 HG3 PRO A 53 -11.815 -14.953 9.826 1.00 55.32 H new ATOM 0 HD2 PRO A 53 -10.298 -14.889 12.080 1.00 14.15 H new ATOM 0 HD3 PRO A 53 -10.408 -13.495 11.024 1.00 14.15 H new ATOM 842 N ASP A 54 -13.310 -15.244 14.014 1.00 4.53 N ATOM 843 CA ASP A 54 -13.908 -16.118 15.032 1.00 73.21 C ATOM 844 C ASP A 54 -13.745 -15.541 16.453 1.00 53.14 C ATOM 845 O ASP A 54 -14.234 -16.120 17.427 1.00 75.00 O ATOM 846 CB ASP A 54 -13.265 -17.510 14.949 1.00 31.21 C ATOM 847 CG ASP A 54 -11.744 -17.452 15.001 1.00 11.30 C ATOM 848 OD1 ASP A 54 -11.123 -17.081 13.980 1.00 24.23 O ATOM 849 OD2 ASP A 54 -11.162 -17.772 16.058 1.00 41.14 O ATOM 0 H ASP A 54 -12.344 -15.479 13.785 1.00 4.53 H new ATOM 0 HA ASP A 54 -14.977 -16.190 14.832 1.00 73.21 H new ATOM 0 HB2 ASP A 54 -13.631 -18.125 15.771 1.00 31.21 H new ATOM 0 HB3 ASP A 54 -13.576 -17.996 14.024 1.00 31.21 H new ATOM 854 N ALA A 55 -13.079 -14.385 16.557 1.00 72.20 N ATOM 855 CA ALA A 55 -12.774 -13.762 17.857 1.00 75.21 C ATOM 856 C ALA A 55 -14.010 -13.656 18.764 1.00 24.02 C ATOM 857 O ALA A 55 -13.995 -14.142 19.890 1.00 3.34 O ATOM 858 CB ALA A 55 -12.152 -12.384 17.653 1.00 63.03 C ATOM 0 H ALA A 55 -12.738 -13.857 15.754 1.00 72.20 H new ATOM 0 HA ALA A 55 -12.059 -14.413 18.361 1.00 75.21 H new ATOM 0 HB1 ALA A 55 -11.932 -11.937 18.622 1.00 63.03 H new ATOM 0 HB2 ALA A 55 -11.229 -12.482 17.081 1.00 63.03 H new ATOM 0 HB3 ALA A 55 -12.849 -11.747 17.109 1.00 63.03 H new ATOM 864 N THR A 56 -15.074 -13.025 18.266 1.00 14.25 N ATOM 865 CA THR A 56 -16.322 -12.857 19.039 1.00 32.30 C ATOM 866 C THR A 56 -16.788 -14.169 19.702 1.00 51.01 C ATOM 867 O THR A 56 -17.105 -14.197 20.896 1.00 34.25 O ATOM 868 CB THR A 56 -17.468 -12.298 18.152 1.00 24.25 C ATOM 869 OG1 THR A 56 -18.695 -12.220 18.899 1.00 44.03 O ATOM 870 CG2 THR A 56 -17.682 -13.151 16.904 1.00 65.34 C ATOM 0 H THR A 56 -15.104 -12.619 17.331 1.00 14.25 H new ATOM 0 HA THR A 56 -16.090 -12.140 19.827 1.00 32.30 H new ATOM 0 HB THR A 56 -17.173 -11.297 17.836 1.00 24.25 H new ATOM 0 HG1 THR A 56 -19.405 -11.864 18.325 1.00 44.03 H new ATOM 0 HG21 THR A 56 -18.492 -12.728 16.309 1.00 65.34 H new ATOM 0 HG22 THR A 56 -16.767 -13.166 16.312 1.00 65.34 H new ATOM 0 HG23 THR A 56 -17.941 -14.168 17.198 1.00 65.34 H new ATOM 878 N SER A 57 -16.804 -15.254 18.928 1.00 32.34 N ATOM 879 CA SER A 57 -17.237 -16.568 19.427 1.00 41.24 C ATOM 880 C SER A 57 -16.216 -17.155 20.409 1.00 22.30 C ATOM 881 O SER A 57 -16.576 -17.839 21.367 1.00 42.24 O ATOM 882 CB SER A 57 -17.434 -17.539 18.253 1.00 1.54 C ATOM 883 OG SER A 57 -18.317 -17.001 17.281 1.00 72.34 O ATOM 0 H SER A 57 -16.522 -15.253 17.948 1.00 32.34 H new ATOM 0 HA SER A 57 -18.182 -16.430 19.953 1.00 41.24 H new ATOM 0 HB2 SER A 57 -16.470 -17.755 17.792 1.00 1.54 H new ATOM 0 HB3 SER A 57 -17.830 -18.485 18.623 1.00 1.54 H new ATOM 0 HG SER A 57 -18.422 -17.640 16.545 1.00 72.34 H new ATOM 889 N LYS A 58 -14.939 -16.876 20.157 1.00 71.22 N ATOM 890 CA LYS A 58 -13.843 -17.375 20.996 1.00 65.45 C ATOM 891 C LYS A 58 -13.755 -16.596 22.324 1.00 0.23 C ATOM 892 O LYS A 58 -13.306 -17.124 23.342 1.00 60.20 O ATOM 893 CB LYS A 58 -12.512 -17.247 20.236 1.00 53.33 C ATOM 894 CG LYS A 58 -11.347 -17.999 20.876 1.00 31.24 C ATOM 895 CD LYS A 58 -11.371 -19.489 20.550 1.00 24.23 C ATOM 896 CE LYS A 58 -11.179 -19.736 19.057 1.00 72.13 C ATOM 897 NZ LYS A 58 -11.054 -21.181 18.742 1.00 4.23 N ATOM 0 H LYS A 58 -14.632 -16.302 19.372 1.00 71.22 H new ATOM 0 HA LYS A 58 -14.041 -18.422 21.227 1.00 65.45 H new ATOM 0 HB2 LYS A 58 -12.651 -17.614 19.219 1.00 53.33 H new ATOM 0 HB3 LYS A 58 -12.250 -16.192 20.161 1.00 53.33 H new ATOM 0 HG2 LYS A 58 -10.407 -17.569 20.531 1.00 31.24 H new ATOM 0 HG3 LYS A 58 -11.381 -17.865 21.957 1.00 31.24 H new ATOM 0 HD2 LYS A 58 -10.585 -19.998 21.108 1.00 24.23 H new ATOM 0 HD3 LYS A 58 -12.320 -19.918 20.872 1.00 24.23 H new ATOM 0 HE2 LYS A 58 -12.023 -19.318 18.509 1.00 72.13 H new ATOM 0 HE3 LYS A 58 -10.286 -19.212 18.715 1.00 72.13 H new ATOM 0 HZ1 LYS A 58 -10.925 -21.303 17.717 1.00 4.23 H new ATOM 0 HZ2 LYS A 58 -10.233 -21.576 19.244 1.00 4.23 H new ATOM 0 HZ3 LYS A 58 -11.916 -21.678 19.044 1.00 4.23 H new ATOM 911 N ILE A 59 -14.174 -15.331 22.300 1.00 41.15 N ATOM 912 CA ILE A 59 -14.145 -14.474 23.492 1.00 74.43 C ATOM 913 C ILE A 59 -15.364 -14.725 24.393 1.00 21.42 C ATOM 914 O ILE A 59 -15.238 -14.765 25.622 1.00 10.13 O ATOM 915 CB ILE A 59 -14.071 -12.972 23.105 1.00 55.20 C ATOM 916 CG1 ILE A 59 -12.775 -12.696 22.319 1.00 13.50 C ATOM 917 CG2 ILE A 59 -14.149 -12.080 24.348 1.00 63.33 C ATOM 918 CD1 ILE A 59 -12.644 -11.273 21.823 1.00 4.04 C ATOM 0 H ILE A 59 -14.540 -14.872 21.465 1.00 41.15 H new ATOM 0 HA ILE A 59 -13.245 -14.733 24.050 1.00 74.43 H new ATOM 0 HB ILE A 59 -14.926 -12.735 22.471 1.00 55.20 H new ATOM 0 HG12 ILE A 59 -11.921 -12.928 22.955 1.00 13.50 H new ATOM 0 HG13 ILE A 59 -12.729 -13.372 21.465 1.00 13.50 H new ATOM 0 HG21 ILE A 59 -14.095 -11.033 24.049 1.00 63.33 H new ATOM 0 HG22 ILE A 59 -15.090 -12.261 24.867 1.00 63.33 H new ATOM 0 HG23 ILE A 59 -13.317 -12.310 25.014 1.00 63.33 H new ATOM 0 HD11 ILE A 59 -11.705 -11.162 21.280 1.00 4.04 H new ATOM 0 HD12 ILE A 59 -13.477 -11.041 21.159 1.00 4.04 H new ATOM 0 HD13 ILE A 59 -12.655 -10.589 22.672 1.00 4.04 H new ATOM 930 N GLY A 60 -16.534 -14.886 23.775 1.00 12.45 N ATOM 931 CA GLY A 60 -17.749 -15.235 24.510 1.00 63.25 C ATOM 932 C GLY A 60 -18.102 -14.256 25.634 1.00 31.23 C ATOM 933 O GLY A 60 -18.305 -13.066 25.384 1.00 41.01 O ATOM 0 H GLY A 60 -16.666 -14.780 22.769 1.00 12.45 H new ATOM 0 HA2 GLY A 60 -18.583 -15.284 23.810 1.00 63.25 H new ATOM 0 HA3 GLY A 60 -17.630 -16.232 24.935 1.00 63.25 H new ATOM 937 N PRO A 61 -18.178 -14.728 26.897 1.00 35.33 N ATOM 938 CA PRO A 61 -18.590 -13.889 28.039 1.00 15.13 C ATOM 939 C PRO A 61 -17.511 -12.898 28.511 1.00 5.35 C ATOM 940 O PRO A 61 -17.821 -11.905 29.172 1.00 23.32 O ATOM 941 CB PRO A 61 -18.874 -14.922 29.128 1.00 52.21 C ATOM 942 CG PRO A 61 -17.944 -16.045 28.822 1.00 64.45 C ATOM 943 CD PRO A 61 -17.883 -16.118 27.316 1.00 45.23 C ATOM 0 HA PRO A 61 -19.434 -13.251 27.778 1.00 15.13 H new ATOM 0 HB2 PRO A 61 -18.691 -14.513 30.122 1.00 52.21 H new ATOM 0 HB3 PRO A 61 -19.914 -15.249 29.105 1.00 52.21 H new ATOM 0 HG2 PRO A 61 -16.957 -15.864 29.247 1.00 64.45 H new ATOM 0 HG3 PRO A 61 -18.306 -16.981 29.246 1.00 64.45 H new ATOM 0 HD2 PRO A 61 -16.903 -16.444 26.968 1.00 45.23 H new ATOM 0 HD3 PRO A 61 -18.613 -16.822 26.917 1.00 45.23 H new ATOM 951 N GLY A 62 -16.249 -13.166 28.176 1.00 30.01 N ATOM 952 CA GLY A 62 -15.159 -12.295 28.613 1.00 33.44 C ATOM 953 C GLY A 62 -13.830 -13.026 28.793 1.00 32.11 C ATOM 954 O GLY A 62 -13.794 -14.255 28.913 1.00 2.15 O ATOM 0 H GLY A 62 -15.959 -13.966 27.613 1.00 30.01 H new ATOM 0 HA2 GLY A 62 -15.029 -11.495 27.884 1.00 33.44 H new ATOM 0 HA3 GLY A 62 -15.436 -11.824 29.556 1.00 33.44 H new ATOM 958 N VAL A 63 -12.734 -12.268 28.818 1.00 71.34 N ATOM 959 CA VAL A 63 -11.390 -12.841 28.958 1.00 20.10 C ATOM 960 C VAL A 63 -11.022 -13.084 30.430 1.00 0.40 C ATOM 961 O VAL A 63 -10.864 -12.144 31.205 1.00 12.30 O ATOM 962 CB VAL A 63 -10.318 -11.929 28.307 1.00 75.35 C ATOM 963 CG1 VAL A 63 -8.928 -12.558 28.409 1.00 24.44 C ATOM 964 CG2 VAL A 63 -10.675 -11.631 26.852 1.00 11.54 C ATOM 0 H VAL A 63 -12.748 -11.251 28.743 1.00 71.34 H new ATOM 0 HA VAL A 63 -11.408 -13.800 28.440 1.00 20.10 H new ATOM 0 HB VAL A 63 -10.299 -10.986 28.853 1.00 75.35 H new ATOM 0 HG11 VAL A 63 -8.195 -11.898 27.945 1.00 24.44 H new ATOM 0 HG12 VAL A 63 -8.671 -12.705 29.458 1.00 24.44 H new ATOM 0 HG13 VAL A 63 -8.926 -13.520 27.897 1.00 24.44 H new ATOM 0 HG21 VAL A 63 -9.910 -10.990 26.414 1.00 11.54 H new ATOM 0 HG22 VAL A 63 -10.730 -12.565 26.292 1.00 11.54 H new ATOM 0 HG23 VAL A 63 -11.640 -11.126 26.810 1.00 11.54 H new ATOM 974 N ARG A 64 -10.893 -14.358 30.812 1.00 50.34 N ATOM 975 CA ARG A 64 -10.492 -14.715 32.181 1.00 4.31 C ATOM 976 C ARG A 64 -8.962 -14.874 32.283 1.00 54.34 C ATOM 977 O ARG A 64 -8.305 -14.162 33.044 1.00 24.32 O ATOM 978 CB ARG A 64 -11.197 -16.007 32.628 1.00 23.11 C ATOM 979 CG ARG A 64 -10.981 -16.344 34.100 1.00 43.41 C ATOM 980 CD ARG A 64 -11.668 -17.645 34.494 1.00 10.13 C ATOM 981 NE ARG A 64 -11.458 -17.964 35.902 1.00 40.10 N ATOM 982 CZ ARG A 64 -11.815 -19.085 36.466 1.00 31.33 C ATOM 983 NH1 ARG A 64 -12.380 -20.027 35.778 1.00 52.21 N ATOM 984 NH2 ARG A 64 -11.594 -19.271 37.722 1.00 24.12 N ATOM 0 H ARG A 64 -11.059 -15.156 30.199 1.00 50.34 H new ATOM 0 HA ARG A 64 -10.794 -13.905 32.845 1.00 4.31 H new ATOM 0 HB2 ARG A 64 -12.266 -15.911 32.439 1.00 23.11 H new ATOM 0 HB3 ARG A 64 -10.839 -16.836 32.018 1.00 23.11 H new ATOM 0 HG2 ARG A 64 -9.913 -16.423 34.301 1.00 43.41 H new ATOM 0 HG3 ARG A 64 -11.362 -15.531 34.718 1.00 43.41 H new ATOM 0 HD2 ARG A 64 -12.737 -17.566 34.295 1.00 10.13 H new ATOM 0 HD3 ARG A 64 -11.287 -18.458 33.876 1.00 10.13 H new ATOM 0 HE ARG A 64 -11.001 -17.263 36.485 1.00 40.10 H new ATOM 0 HH11 ARG A 64 -12.551 -19.898 34.781 1.00 52.21 H new ATOM 0 HH12 ARG A 64 -12.653 -20.898 36.234 1.00 52.21 H new ATOM 0 HH21 ARG A 64 -11.141 -18.542 38.273 1.00 24.12 H new ATOM 0 HH22 ARG A 64 -11.872 -20.147 38.165 1.00 24.12 H new ATOM 998 N ASN A 65 -8.410 -15.823 31.520 1.00 42.24 N ATOM 999 CA ASN A 65 -6.954 -16.028 31.441 1.00 45.34 C ATOM 1000 C ASN A 65 -6.585 -17.010 30.313 1.00 50.34 C ATOM 1001 O ASN A 65 -7.444 -17.439 29.537 1.00 20.21 O ATOM 1002 CB ASN A 65 -6.379 -16.527 32.782 1.00 72.30 C ATOM 1003 CG ASN A 65 -7.050 -17.792 33.288 1.00 32.10 C ATOM 1004 OD1 ASN A 65 -7.960 -17.648 34.228 1.00 53.21 O flip ATOM 1005 ND2 ASN A 65 -6.723 -18.897 32.870 1.00 12.42 N flip ATOM 0 H ASN A 65 -8.951 -16.467 30.943 1.00 42.24 H new ATOM 0 HA ASN A 65 -6.510 -15.058 31.216 1.00 45.34 H new ATOM 0 HB2 ASN A 65 -5.311 -16.712 32.666 1.00 72.30 H new ATOM 0 HB3 ASN A 65 -6.487 -15.742 33.531 1.00 72.30 H new ATOM 0 HD21 ASN A 65 -6.015 -18.977 32.141 1.00 12.42 H new ATOM 0 HD22 ASN A 65 -7.159 -19.736 33.252 1.00 12.42 H new ATOM 1012 N PHE A 66 -5.299 -17.337 30.222 1.00 12.41 N ATOM 1013 CA PHE A 66 -4.791 -18.309 29.242 1.00 52.32 C ATOM 1014 C PHE A 66 -3.977 -19.403 29.948 1.00 13.42 C ATOM 1015 O PHE A 66 -3.137 -19.106 30.797 1.00 60.20 O ATOM 1016 CB PHE A 66 -3.906 -17.610 28.197 1.00 65.24 C ATOM 1017 CG PHE A 66 -4.627 -16.595 27.338 1.00 34.34 C ATOM 1018 CD1 PHE A 66 -4.866 -15.310 27.806 1.00 61.34 C ATOM 1019 CD2 PHE A 66 -5.056 -16.928 26.059 1.00 2.13 C ATOM 1020 CE1 PHE A 66 -5.518 -14.382 27.018 1.00 11.53 C ATOM 1021 CE2 PHE A 66 -5.708 -16.000 25.269 1.00 11.00 C ATOM 1022 CZ PHE A 66 -5.939 -14.727 25.748 1.00 3.45 C ATOM 0 H PHE A 66 -4.576 -16.940 30.822 1.00 12.41 H new ATOM 0 HA PHE A 66 -5.646 -18.762 28.740 1.00 52.32 H new ATOM 0 HB2 PHE A 66 -3.084 -17.112 28.711 1.00 65.24 H new ATOM 0 HB3 PHE A 66 -3.465 -18.367 27.549 1.00 65.24 H new ATOM 0 HD1 PHE A 66 -4.538 -15.033 28.797 1.00 61.34 H new ATOM 0 HD2 PHE A 66 -4.878 -17.923 25.678 1.00 2.13 H new ATOM 0 HE1 PHE A 66 -5.699 -13.386 27.395 1.00 11.53 H new ATOM 0 HE2 PHE A 66 -6.037 -16.271 24.277 1.00 11.00 H new ATOM 0 HZ PHE A 66 -6.448 -14.001 25.131 1.00 3.45 H new ATOM 1032 N GLU A 67 -4.220 -20.662 29.593 1.00 61.45 N ATOM 1033 CA GLU A 67 -3.481 -21.786 30.186 1.00 21.50 C ATOM 1034 C GLU A 67 -2.902 -22.703 29.099 1.00 3.03 C ATOM 1035 O GLU A 67 -3.575 -23.023 28.118 1.00 13.33 O ATOM 1036 CB GLU A 67 -4.388 -22.588 31.133 1.00 22.40 C ATOM 1037 CG GLU A 67 -3.672 -23.726 31.857 1.00 30.02 C ATOM 1038 CD GLU A 67 -4.563 -24.451 32.855 1.00 11.21 C ATOM 1039 OE1 GLU A 67 -5.389 -25.285 32.428 1.00 10.13 O ATOM 1040 OE2 GLU A 67 -4.436 -24.199 34.074 1.00 32.11 O ATOM 0 H GLU A 67 -4.918 -20.934 28.901 1.00 61.45 H new ATOM 0 HA GLU A 67 -2.651 -21.375 30.760 1.00 21.50 H new ATOM 0 HB2 GLU A 67 -4.814 -21.911 31.873 1.00 22.40 H new ATOM 0 HB3 GLU A 67 -5.220 -23.000 30.562 1.00 22.40 H new ATOM 0 HG2 GLU A 67 -3.303 -24.441 31.122 1.00 30.02 H new ATOM 0 HG3 GLU A 67 -2.802 -23.327 32.378 1.00 30.02 H new ATOM 1047 N VAL A 68 -1.656 -23.129 29.285 1.00 41.05 N ATOM 1048 CA VAL A 68 -0.952 -23.940 28.283 1.00 62.43 C ATOM 1049 C VAL A 68 -1.348 -25.426 28.341 1.00 52.30 C ATOM 1050 O VAL A 68 -1.450 -26.020 29.415 1.00 73.22 O ATOM 1051 CB VAL A 68 0.584 -23.811 28.444 1.00 2.23 C ATOM 1052 CG1 VAL A 68 1.323 -24.719 27.458 1.00 30.33 C ATOM 1053 CG2 VAL A 68 1.013 -22.356 28.265 1.00 40.14 C ATOM 0 H VAL A 68 -1.107 -22.928 30.121 1.00 41.05 H new ATOM 0 HA VAL A 68 -1.252 -23.550 27.310 1.00 62.43 H new ATOM 0 HB VAL A 68 0.849 -24.132 29.451 1.00 2.23 H new ATOM 0 HG11 VAL A 68 2.398 -24.606 27.595 1.00 30.33 H new ATOM 0 HG12 VAL A 68 1.041 -25.757 27.637 1.00 30.33 H new ATOM 0 HG13 VAL A 68 1.056 -24.442 26.438 1.00 30.33 H new ATOM 0 HG21 VAL A 68 2.094 -22.279 28.380 1.00 40.14 H new ATOM 0 HG22 VAL A 68 0.729 -22.013 27.270 1.00 40.14 H new ATOM 0 HG23 VAL A 68 0.523 -21.737 29.016 1.00 40.14 H new ATOM 1063 N ARG A 69 -1.560 -26.014 27.166 1.00 44.30 N ATOM 1064 CA ARG A 69 -1.907 -27.434 27.040 1.00 51.11 C ATOM 1065 C ARG A 69 -1.291 -28.004 25.749 1.00 33.31 C ATOM 1066 O ARG A 69 -1.063 -27.265 24.790 1.00 62.23 O ATOM 1067 CB ARG A 69 -3.437 -27.587 27.017 1.00 43.24 C ATOM 1068 CG ARG A 69 -3.950 -29.009 27.234 1.00 23.31 C ATOM 1069 CD ARG A 69 -5.464 -29.083 27.038 1.00 20.34 C ATOM 1070 NE ARG A 69 -6.045 -30.323 27.550 1.00 73.22 N ATOM 1071 CZ ARG A 69 -7.026 -30.967 26.976 1.00 5.22 C ATOM 1072 NH1 ARG A 69 -7.442 -30.627 25.799 1.00 45.14 N ATOM 1073 NH2 ARG A 69 -7.563 -31.980 27.564 1.00 72.43 N ATOM 0 H ARG A 69 -1.497 -25.524 26.274 1.00 44.30 H new ATOM 0 HA ARG A 69 -1.509 -27.987 27.891 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -3.862 -26.943 27.786 1.00 43.24 H new ATOM 0 HB3 ARG A 69 -3.808 -27.226 26.058 1.00 43.24 H new ATOM 0 HG2 ARG A 69 -3.456 -29.687 26.538 1.00 23.31 H new ATOM 0 HG3 ARG A 69 -3.694 -29.342 28.240 1.00 23.31 H new ATOM 0 HD2 ARG A 69 -5.932 -28.235 27.538 1.00 20.34 H new ATOM 0 HD3 ARG A 69 -5.692 -28.992 25.976 1.00 20.34 H new ATOM 0 HE ARG A 69 -5.659 -30.710 28.411 1.00 73.22 H new ATOM 0 HH11 ARG A 69 -7.003 -29.848 25.308 1.00 45.14 H new ATOM 0 HH12 ARG A 69 -8.209 -31.138 25.362 1.00 45.14 H new ATOM 0 HH21 ARG A 69 -7.222 -32.279 28.478 1.00 72.43 H new ATOM 0 HH22 ARG A 69 -8.329 -32.483 27.116 1.00 72.43 H new ATOM 1087 N SER A 70 -1.008 -29.306 25.720 1.00 12.45 N ATOM 1088 CA SER A 70 -0.400 -29.930 24.532 1.00 32.43 C ATOM 1089 C SER A 70 -1.447 -30.195 23.439 1.00 41.53 C ATOM 1090 O SER A 70 -2.553 -30.656 23.721 1.00 71.44 O ATOM 1091 CB SER A 70 0.311 -31.238 24.906 1.00 12.33 C ATOM 1092 OG SER A 70 -0.578 -32.169 25.504 1.00 51.03 O ATOM 0 H SER A 70 -1.185 -29.948 26.493 1.00 12.45 H new ATOM 0 HA SER A 70 0.336 -29.229 24.137 1.00 32.43 H new ATOM 0 HB2 SER A 70 0.753 -31.680 24.013 1.00 12.33 H new ATOM 0 HB3 SER A 70 1.129 -31.023 25.594 1.00 12.33 H new ATOM 0 HG SER A 70 -0.091 -32.990 25.727 1.00 51.03 H new ATOM 1162 N GLN A 76 3.111 -27.635 21.987 1.00 70.30 N ATOM 1163 CA GLN A 76 2.251 -26.938 22.951 1.00 65.45 C ATOM 1164 C GLN A 76 1.269 -25.978 22.250 1.00 43.41 C ATOM 1165 O GLN A 76 1.415 -25.679 21.064 1.00 52.21 O ATOM 1166 CB GLN A 76 3.126 -26.134 23.922 1.00 43.04 C ATOM 1167 CG GLN A 76 4.283 -26.917 24.533 1.00 40.34 C ATOM 1168 CD GLN A 76 5.297 -26.002 25.204 1.00 64.44 C ATOM 1169 OE1 GLN A 76 6.247 -25.537 24.572 1.00 43.45 O ATOM 1170 NE2 GLN A 76 5.096 -25.717 26.476 1.00 33.34 N ATOM 0 HA GLN A 76 1.670 -27.689 23.486 1.00 65.45 H new ATOM 0 HB2 GLN A 76 3.528 -25.268 23.396 1.00 43.04 H new ATOM 0 HB3 GLN A 76 2.497 -25.754 24.727 1.00 43.04 H new ATOM 0 HG2 GLN A 76 3.895 -27.626 25.264 1.00 40.34 H new ATOM 0 HG3 GLN A 76 4.778 -27.499 23.756 1.00 40.34 H new ATOM 0 HE21 GLN A 76 4.299 -26.120 26.969 1.00 33.34 H new ATOM 0 HE22 GLN A 76 5.738 -25.094 26.967 1.00 33.34 H new ATOM 1179 N CYS A 77 0.277 -25.490 22.995 1.00 73.32 N ATOM 1180 CA CYS A 77 -0.664 -24.486 22.480 1.00 34.53 C ATOM 1181 C CYS A 77 -1.346 -23.720 23.623 1.00 2.23 C ATOM 1182 O CYS A 77 -1.568 -24.267 24.708 1.00 5.12 O ATOM 1183 CB CYS A 77 -1.726 -25.146 21.591 1.00 55.41 C ATOM 1184 SG CYS A 77 -2.890 -23.982 20.838 1.00 34.44 S ATOM 0 H CYS A 77 0.101 -25.772 23.959 1.00 73.32 H new ATOM 0 HA CYS A 77 -0.091 -23.775 21.884 1.00 34.53 H new ATOM 0 HB2 CYS A 77 -1.226 -25.705 20.800 1.00 55.41 H new ATOM 0 HB3 CYS A 77 -2.285 -25.868 22.187 1.00 55.41 H new ATOM 0 HG CYS A 77 -3.214 -24.400 19.650 1.00 34.44 H new ATOM 1190 N PHE A 78 -1.668 -22.450 23.376 1.00 24.53 N ATOM 1191 CA PHE A 78 -2.348 -21.611 24.371 1.00 25.13 C ATOM 1192 C PHE A 78 -3.869 -21.836 24.348 1.00 73.43 C ATOM 1193 O PHE A 78 -4.527 -21.588 23.336 1.00 54.43 O ATOM 1194 CB PHE A 78 -2.052 -20.125 24.112 1.00 12.03 C ATOM 1195 CG PHE A 78 -0.598 -19.745 24.239 1.00 45.51 C ATOM 1196 CD1 PHE A 78 -0.033 -19.519 25.487 1.00 71.24 C ATOM 1197 CD2 PHE A 78 0.201 -19.601 23.111 1.00 25.42 C ATOM 1198 CE1 PHE A 78 1.297 -19.160 25.607 1.00 31.24 C ATOM 1199 CE2 PHE A 78 1.531 -19.240 23.228 1.00 35.12 C ATOM 1200 CZ PHE A 78 2.079 -19.020 24.478 1.00 72.15 C ATOM 0 H PHE A 78 -1.470 -21.976 22.495 1.00 24.53 H new ATOM 0 HA PHE A 78 -1.968 -21.895 25.352 1.00 25.13 H new ATOM 0 HB2 PHE A 78 -2.395 -19.869 23.110 1.00 12.03 H new ATOM 0 HB3 PHE A 78 -2.634 -19.525 24.811 1.00 12.03 H new ATOM 0 HD1 PHE A 78 -0.639 -19.625 26.374 1.00 71.24 H new ATOM 0 HD2 PHE A 78 -0.221 -19.773 22.132 1.00 25.42 H new ATOM 0 HE1 PHE A 78 1.724 -18.989 26.584 1.00 31.24 H new ATOM 0 HE2 PHE A 78 2.141 -19.130 22.344 1.00 35.12 H new ATOM 0 HZ PHE A 78 3.118 -18.739 24.571 1.00 72.15 H new ATOM 1210 N TRP A 79 -4.423 -22.307 25.465 1.00 72.14 N ATOM 1211 CA TRP A 79 -5.875 -22.479 25.595 1.00 43.22 C ATOM 1212 C TRP A 79 -6.525 -21.248 26.239 1.00 5.02 C ATOM 1213 O TRP A 79 -6.033 -20.712 27.233 1.00 21.25 O ATOM 1214 CB TRP A 79 -6.202 -23.750 26.389 1.00 13.35 C ATOM 1215 CG TRP A 79 -6.105 -24.995 25.557 1.00 34.30 C ATOM 1216 CD1 TRP A 79 -4.999 -25.475 24.915 1.00 23.20 C ATOM 1217 CD2 TRP A 79 -7.164 -25.915 25.273 1.00 22.21 C ATOM 1218 NE1 TRP A 79 -5.310 -26.635 24.246 1.00 20.51 N ATOM 1219 CE2 TRP A 79 -6.632 -26.928 24.456 1.00 22.13 C ATOM 1220 CE3 TRP A 79 -8.512 -25.980 25.635 1.00 71.12 C ATOM 1221 CZ2 TRP A 79 -7.403 -27.990 23.991 1.00 23.03 C ATOM 1222 CZ3 TRP A 79 -9.274 -27.036 25.175 1.00 31.11 C ATOM 1223 CH2 TRP A 79 -8.717 -28.030 24.366 1.00 53.23 C ATOM 0 H TRP A 79 -3.892 -22.577 26.293 1.00 72.14 H new ATOM 0 HA TRP A 79 -6.291 -22.587 24.593 1.00 43.22 H new ATOM 0 HB2 TRP A 79 -5.520 -23.830 27.236 1.00 13.35 H new ATOM 0 HB3 TRP A 79 -7.209 -23.669 26.798 1.00 13.35 H new ATOM 0 HD1 TRP A 79 -4.024 -25.011 24.931 1.00 23.20 H new ATOM 0 HE1 TRP A 79 -4.662 -27.188 23.685 1.00 20.51 H new ATOM 0 HE3 TRP A 79 -8.950 -25.218 26.263 1.00 71.12 H new ATOM 0 HZ2 TRP A 79 -6.978 -28.754 23.357 1.00 23.03 H new ATOM 0 HZ3 TRP A 79 -10.318 -27.095 25.445 1.00 31.11 H new ATOM 0 HH2 TRP A 79 -9.338 -28.847 24.030 1.00 53.23 H new ATOM 1234 N ILE A 80 -7.632 -20.808 25.655 1.00 13.14 N ATOM 1235 CA ILE A 80 -8.306 -19.578 26.069 1.00 61.44 C ATOM 1236 C ILE A 80 -9.401 -19.839 27.118 1.00 64.22 C ATOM 1237 O ILE A 80 -10.446 -20.414 26.812 1.00 5.52 O ATOM 1238 CB ILE A 80 -8.918 -18.878 24.828 1.00 24.15 C ATOM 1239 CG1 ILE A 80 -7.806 -18.543 23.818 1.00 41.23 C ATOM 1240 CG2 ILE A 80 -9.698 -17.628 25.220 1.00 64.45 C ATOM 1241 CD1 ILE A 80 -8.298 -17.877 22.552 1.00 74.33 C ATOM 0 H ILE A 80 -8.090 -21.291 24.882 1.00 13.14 H new ATOM 0 HA ILE A 80 -7.561 -18.932 26.533 1.00 61.44 H new ATOM 0 HB ILE A 80 -9.625 -19.562 24.359 1.00 24.15 H new ATOM 0 HG12 ILE A 80 -7.078 -17.890 24.299 1.00 41.23 H new ATOM 0 HG13 ILE A 80 -7.283 -19.462 23.552 1.00 41.23 H new ATOM 0 HG21 ILE A 80 -10.113 -17.163 24.326 1.00 64.45 H new ATOM 0 HG22 ILE A 80 -10.508 -17.902 25.896 1.00 64.45 H new ATOM 0 HG23 ILE A 80 -9.031 -16.925 25.719 1.00 64.45 H new ATOM 0 HD11 ILE A 80 -7.452 -17.675 21.895 1.00 74.33 H new ATOM 0 HD12 ILE A 80 -9.003 -18.536 22.044 1.00 74.33 H new ATOM 0 HD13 ILE A 80 -8.794 -16.940 22.803 1.00 74.33 H new ATOM 1253 N LEU A 81 -9.149 -19.408 28.358 1.00 21.14 N ATOM 1254 CA LEU A 81 -10.118 -19.557 29.454 1.00 2.35 C ATOM 1255 C LEU A 81 -11.129 -18.403 29.472 1.00 44.14 C ATOM 1256 O LEU A 81 -10.758 -17.222 29.471 1.00 55.31 O ATOM 1257 CB LEU A 81 -9.401 -19.640 30.816 1.00 74.34 C ATOM 1258 CG LEU A 81 -8.730 -20.986 31.141 1.00 12.04 C ATOM 1259 CD1 LEU A 81 -9.764 -22.108 31.170 1.00 21.05 C ATOM 1260 CD2 LEU A 81 -7.612 -21.301 30.150 1.00 70.01 C ATOM 0 H LEU A 81 -8.279 -18.951 28.631 1.00 21.14 H new ATOM 0 HA LEU A 81 -10.659 -20.487 29.280 1.00 2.35 H new ATOM 0 HB2 LEU A 81 -8.642 -18.859 30.853 1.00 74.34 H new ATOM 0 HB3 LEU A 81 -10.125 -19.418 31.600 1.00 74.34 H new ATOM 0 HG LEU A 81 -8.281 -20.907 32.131 1.00 12.04 H new ATOM 0 HD11 LEU A 81 -9.270 -23.052 31.401 1.00 21.05 H new ATOM 0 HD12 LEU A 81 -10.512 -21.893 31.933 1.00 21.05 H new ATOM 0 HD13 LEU A 81 -10.249 -22.181 30.197 1.00 21.05 H new ATOM 0 HD21 LEU A 81 -7.158 -22.258 30.406 1.00 70.01 H new ATOM 0 HD22 LEU A 81 -8.023 -21.353 29.142 1.00 70.01 H new ATOM 0 HD23 LEU A 81 -6.856 -20.517 30.193 1.00 70.01 H new ATOM 1272 N ARG A 82 -12.410 -18.755 29.479 1.00 61.24 N ATOM 1273 CA ARG A 82 -13.500 -17.777 29.518 1.00 41.23 C ATOM 1274 C ARG A 82 -14.063 -17.630 30.941 1.00 14.44 C ATOM 1275 O ARG A 82 -13.978 -18.558 31.748 1.00 21.22 O ATOM 1276 CB ARG A 82 -14.620 -18.210 28.561 1.00 35.51 C ATOM 1277 CG ARG A 82 -14.161 -18.470 27.124 1.00 71.42 C ATOM 1278 CD ARG A 82 -13.639 -17.212 26.441 1.00 22.10 C ATOM 1279 NE ARG A 82 -12.320 -16.818 26.928 1.00 22.03 N ATOM 1280 CZ ARG A 82 -11.816 -15.621 26.804 1.00 2.30 C ATOM 1281 NH1 ARG A 82 -12.512 -14.663 26.277 1.00 62.32 N ATOM 1282 NH2 ARG A 82 -10.618 -15.383 27.228 1.00 61.50 N ATOM 0 H ARG A 82 -12.726 -19.725 29.458 1.00 61.24 H new ATOM 0 HA ARG A 82 -13.102 -16.811 29.206 1.00 41.23 H new ATOM 0 HB2 ARG A 82 -15.084 -19.116 28.951 1.00 35.51 H new ATOM 0 HB3 ARG A 82 -15.389 -17.438 28.549 1.00 35.51 H new ATOM 0 HG2 ARG A 82 -13.378 -19.229 27.128 1.00 71.42 H new ATOM 0 HG3 ARG A 82 -14.993 -18.874 26.548 1.00 71.42 H new ATOM 0 HD2 ARG A 82 -13.590 -17.380 25.365 1.00 22.10 H new ATOM 0 HD3 ARG A 82 -14.342 -16.395 26.604 1.00 22.10 H new ATOM 0 HE ARG A 82 -11.755 -17.526 27.397 1.00 22.03 H new ATOM 0 HH11 ARG A 82 -13.463 -14.841 25.955 1.00 62.32 H new ATOM 0 HH12 ARG A 82 -12.109 -13.731 26.185 1.00 62.32 H new ATOM 0 HH21 ARG A 82 -10.071 -16.129 27.657 1.00 61.50 H new ATOM 0 HH22 ARG A 82 -10.220 -14.449 27.133 1.00 61.50 H new ATOM 1296 N THR A 83 -14.646 -16.468 31.236 1.00 41.43 N ATOM 1297 CA THR A 83 -15.227 -16.190 32.564 1.00 5.01 C ATOM 1298 C THR A 83 -16.255 -17.255 32.985 1.00 21.04 C ATOM 1299 O THR A 83 -16.252 -17.720 34.128 1.00 31.45 O ATOM 1300 CB THR A 83 -15.908 -14.802 32.605 1.00 5.23 C ATOM 1301 OG1 THR A 83 -16.908 -14.720 31.582 1.00 25.14 O ATOM 1302 CG2 THR A 83 -14.892 -13.680 32.412 1.00 45.12 C ATOM 0 H THR A 83 -14.732 -15.696 30.575 1.00 41.43 H new ATOM 0 HA THR A 83 -14.392 -16.210 33.265 1.00 5.01 H new ATOM 0 HB THR A 83 -16.370 -14.683 33.585 1.00 5.23 H new ATOM 0 HG1 THR A 83 -17.337 -13.840 31.614 1.00 25.14 H new ATOM 0 HG21 THR A 83 -15.402 -12.717 32.446 1.00 45.12 H new ATOM 0 HG22 THR A 83 -14.146 -13.724 33.206 1.00 45.12 H new ATOM 0 HG23 THR A 83 -14.401 -13.796 31.446 1.00 45.12 H new ATOM 1310 N ASP A 84 -17.120 -17.655 32.054 1.00 31.50 N ATOM 1311 CA ASP A 84 -18.131 -18.694 32.316 1.00 3.11 C ATOM 1312 C ASP A 84 -17.527 -20.111 32.461 1.00 42.03 C ATOM 1313 O ASP A 84 -18.258 -21.101 32.498 1.00 75.04 O ATOM 1314 CB ASP A 84 -19.201 -18.680 31.213 1.00 53.24 C ATOM 1315 CG ASP A 84 -20.335 -17.722 31.529 1.00 74.52 C ATOM 1316 OD1 ASP A 84 -20.143 -16.497 31.413 1.00 33.40 O ATOM 1317 OD2 ASP A 84 -21.422 -18.196 31.918 1.00 74.51 O ATOM 0 H ASP A 84 -17.146 -17.278 31.107 1.00 31.50 H new ATOM 0 HA ASP A 84 -18.587 -18.453 33.276 1.00 3.11 H new ATOM 0 HB2 ASP A 84 -18.741 -18.397 30.266 1.00 53.24 H new ATOM 0 HB3 ASP A 84 -19.602 -19.686 31.085 1.00 53.24 H new ATOM 1322 N GLY A 85 -16.201 -20.206 32.559 1.00 41.21 N ATOM 1323 CA GLY A 85 -15.551 -21.502 32.739 1.00 35.41 C ATOM 1324 C GLY A 85 -15.558 -22.361 31.478 1.00 42.52 C ATOM 1325 O GLY A 85 -15.977 -23.519 31.506 1.00 5.34 O ATOM 0 H GLY A 85 -15.563 -19.411 32.517 1.00 41.21 H new ATOM 0 HA2 GLY A 85 -14.520 -21.343 33.056 1.00 35.41 H new ATOM 0 HA3 GLY A 85 -16.052 -22.043 33.542 1.00 35.41 H new ATOM 1329 N SER A 86 -15.108 -21.785 30.367 1.00 42.42 N ATOM 1330 CA SER A 86 -15.000 -22.516 29.093 1.00 51.24 C ATOM 1331 C SER A 86 -13.596 -22.353 28.507 1.00 72.12 C ATOM 1332 O SER A 86 -13.029 -21.260 28.541 1.00 3.13 O ATOM 1333 CB SER A 86 -16.042 -22.015 28.081 1.00 60.44 C ATOM 1334 OG SER A 86 -15.903 -22.680 26.836 1.00 40.22 O ATOM 0 H SER A 86 -14.809 -20.811 30.316 1.00 42.42 H new ATOM 0 HA SER A 86 -15.189 -23.571 29.293 1.00 51.24 H new ATOM 0 HB2 SER A 86 -17.045 -22.179 28.475 1.00 60.44 H new ATOM 0 HB3 SER A 86 -15.928 -20.940 27.938 1.00 60.44 H new ATOM 0 HG SER A 86 -16.578 -22.345 26.209 1.00 40.22 H new ATOM 1340 N GLU A 87 -13.034 -23.435 27.978 1.00 72.23 N ATOM 1341 CA GLU A 87 -11.668 -23.409 27.447 1.00 63.30 C ATOM 1342 C GLU A 87 -11.588 -23.957 26.012 1.00 43.10 C ATOM 1343 O GLU A 87 -11.952 -25.102 25.738 1.00 71.42 O ATOM 1344 CB GLU A 87 -10.704 -24.187 28.368 1.00 13.34 C ATOM 1345 CG GLU A 87 -11.070 -25.654 28.604 1.00 2.55 C ATOM 1346 CD GLU A 87 -12.277 -25.843 29.514 1.00 31.32 C ATOM 1347 OE1 GLU A 87 -12.103 -25.847 30.751 1.00 62.40 O ATOM 1348 OE2 GLU A 87 -13.403 -26.010 28.998 1.00 64.33 O ATOM 0 H GLU A 87 -13.498 -24.340 27.904 1.00 72.23 H new ATOM 0 HA GLU A 87 -11.364 -22.363 27.416 1.00 63.30 H new ATOM 0 HB2 GLU A 87 -9.703 -24.143 27.939 1.00 13.34 H new ATOM 0 HB3 GLU A 87 -10.660 -23.680 29.332 1.00 13.34 H new ATOM 0 HG2 GLU A 87 -11.272 -26.128 27.644 1.00 2.55 H new ATOM 0 HG3 GLU A 87 -10.213 -26.168 29.040 1.00 2.55 H new ATOM 1355 N GLU A 88 -11.105 -23.119 25.100 1.00 42.50 N ATOM 1356 CA GLU A 88 -10.850 -23.527 23.715 1.00 5.03 C ATOM 1357 C GLU A 88 -9.613 -22.802 23.171 1.00 2.13 C ATOM 1358 O GLU A 88 -9.396 -21.628 23.462 1.00 30.12 O ATOM 1359 CB GLU A 88 -12.071 -23.242 22.823 1.00 63.13 C ATOM 1360 CG GLU A 88 -11.902 -23.729 21.385 1.00 72.24 C ATOM 1361 CD GLU A 88 -13.166 -23.590 20.550 1.00 11.12 C ATOM 1362 OE1 GLU A 88 -14.111 -24.382 20.754 1.00 41.32 O ATOM 1363 OE2 GLU A 88 -13.214 -22.697 19.677 1.00 32.02 O ATOM 0 H GLU A 88 -10.879 -22.143 25.294 1.00 42.50 H new ATOM 0 HA GLU A 88 -10.666 -24.601 23.703 1.00 5.03 H new ATOM 0 HB2 GLU A 88 -12.949 -23.719 23.259 1.00 63.13 H new ATOM 0 HB3 GLU A 88 -12.262 -22.169 22.815 1.00 63.13 H new ATOM 0 HG2 GLU A 88 -11.098 -23.167 20.910 1.00 72.24 H new ATOM 0 HG3 GLU A 88 -11.596 -24.775 21.397 1.00 72.24 H new ATOM 1370 N ARG A 89 -8.796 -23.502 22.392 1.00 2.32 N ATOM 1371 CA ARG A 89 -7.550 -22.925 21.872 1.00 44.10 C ATOM 1372 C ARG A 89 -7.713 -22.392 20.442 1.00 45.33 C ATOM 1373 O ARG A 89 -8.799 -22.439 19.855 1.00 75.32 O ATOM 1374 CB ARG A 89 -6.427 -23.971 21.899 1.00 33.21 C ATOM 1375 CG ARG A 89 -6.708 -25.195 21.033 1.00 42.45 C ATOM 1376 CD ARG A 89 -5.491 -26.106 20.921 1.00 31.30 C ATOM 1377 NE ARG A 89 -5.773 -27.290 20.118 1.00 24.23 N ATOM 1378 CZ ARG A 89 -5.561 -27.382 18.834 1.00 72.42 C ATOM 1379 NH1 ARG A 89 -5.065 -26.386 18.170 1.00 14.33 N ATOM 1380 NH2 ARG A 89 -5.852 -28.472 18.215 1.00 43.23 N ATOM 0 H ARG A 89 -8.968 -24.465 22.105 1.00 2.32 H new ATOM 0 HA ARG A 89 -7.292 -22.086 22.518 1.00 44.10 H new ATOM 0 HB2 ARG A 89 -5.500 -23.505 21.564 1.00 33.21 H new ATOM 0 HB3 ARG A 89 -6.268 -24.294 22.928 1.00 33.21 H new ATOM 0 HG2 ARG A 89 -7.542 -25.755 21.456 1.00 42.45 H new ATOM 0 HG3 ARG A 89 -7.013 -24.873 20.037 1.00 42.45 H new ATOM 0 HD2 ARG A 89 -4.663 -25.554 20.476 1.00 31.30 H new ATOM 0 HD3 ARG A 89 -5.172 -26.410 21.918 1.00 31.30 H new ATOM 0 HE ARG A 89 -6.163 -28.103 20.594 1.00 24.23 H new ATOM 0 HH11 ARG A 89 -4.835 -25.516 18.651 1.00 14.33 H new ATOM 0 HH12 ARG A 89 -4.904 -26.472 17.166 1.00 14.33 H new ATOM 0 HH21 ARG A 89 -6.247 -29.260 18.728 1.00 43.23 H new ATOM 0 HH22 ARG A 89 -5.688 -28.548 17.211 1.00 43.23 H new ATOM 1394 N PHE A 90 -6.616 -21.876 19.897 1.00 74.34 N ATOM 1395 CA PHE A 90 -6.563 -21.434 18.503 1.00 32.31 C ATOM 1396 C PHE A 90 -5.228 -21.854 17.863 1.00 41.24 C ATOM 1397 O PHE A 90 -4.153 -21.509 18.357 1.00 22.01 O ATOM 1398 CB PHE A 90 -6.767 -19.908 18.409 1.00 43.41 C ATOM 1399 CG PHE A 90 -5.713 -19.084 19.118 1.00 42.11 C ATOM 1400 CD1 PHE A 90 -5.638 -19.066 20.505 1.00 44.22 C ATOM 1401 CD2 PHE A 90 -4.802 -18.319 18.396 1.00 3.42 C ATOM 1402 CE1 PHE A 90 -4.680 -18.308 21.154 1.00 44.25 C ATOM 1403 CE2 PHE A 90 -3.843 -17.561 19.044 1.00 2.21 C ATOM 1404 CZ PHE A 90 -3.782 -17.556 20.423 1.00 1.44 C ATOM 0 H PHE A 90 -5.740 -21.752 20.405 1.00 74.34 H new ATOM 0 HA PHE A 90 -7.372 -21.914 17.952 1.00 32.31 H new ATOM 0 HB2 PHE A 90 -6.786 -19.622 17.357 1.00 43.41 H new ATOM 0 HB3 PHE A 90 -7.743 -19.659 18.825 1.00 43.41 H new ATOM 0 HD1 PHE A 90 -6.337 -19.651 21.084 1.00 44.22 H new ATOM 0 HD2 PHE A 90 -4.844 -18.317 17.317 1.00 3.42 H new ATOM 0 HE1 PHE A 90 -4.634 -18.304 22.233 1.00 44.25 H new ATOM 0 HE2 PHE A 90 -3.142 -16.973 18.471 1.00 2.21 H new ATOM 0 HZ PHE A 90 -3.033 -16.965 20.929 1.00 1.44 H new ATOM 1414 N SER A 91 -5.297 -22.634 16.786 1.00 14.13 N ATOM 1415 CA SER A 91 -4.088 -23.086 16.083 1.00 20.02 C ATOM 1416 C SER A 91 -3.380 -21.921 15.380 1.00 13.34 C ATOM 1417 O SER A 91 -3.443 -21.776 14.158 1.00 71.13 O ATOM 1418 CB SER A 91 -4.421 -24.197 15.075 1.00 14.12 C ATOM 1419 OG SER A 91 -4.897 -25.362 15.735 1.00 51.21 O ATOM 0 H SER A 91 -6.171 -22.967 16.379 1.00 14.13 H new ATOM 0 HA SER A 91 -3.408 -23.491 16.832 1.00 20.02 H new ATOM 0 HB2 SER A 91 -5.174 -23.841 14.372 1.00 14.12 H new ATOM 0 HB3 SER A 91 -3.533 -24.442 14.493 1.00 14.12 H new ATOM 0 HG SER A 91 -4.428 -26.149 15.387 1.00 51.21 H new ATOM 1425 N TYR A 92 -2.699 -21.095 16.174 1.00 54.53 N ATOM 1426 CA TYR A 92 -1.993 -19.909 15.671 1.00 75.02 C ATOM 1427 C TYR A 92 -0.963 -20.258 14.580 1.00 74.15 C ATOM 1428 O TYR A 92 -0.620 -19.418 13.745 1.00 14.35 O ATOM 1429 CB TYR A 92 -1.304 -19.175 16.835 1.00 22.12 C ATOM 1430 CG TYR A 92 -0.212 -19.981 17.530 1.00 65.03 C ATOM 1431 CD1 TYR A 92 -0.517 -20.914 18.520 1.00 31.34 C ATOM 1432 CD2 TYR A 92 1.128 -19.801 17.197 1.00 1.34 C ATOM 1433 CE1 TYR A 92 0.478 -21.639 19.149 1.00 25.34 C ATOM 1434 CE2 TYR A 92 2.126 -20.524 17.823 1.00 1.44 C ATOM 1435 CZ TYR A 92 1.797 -21.441 18.796 1.00 73.03 C ATOM 1436 OH TYR A 92 2.791 -22.164 19.418 1.00 41.33 O ATOM 0 H TYR A 92 -2.619 -21.226 17.182 1.00 54.53 H new ATOM 0 HA TYR A 92 -2.737 -19.257 15.214 1.00 75.02 H new ATOM 0 HB2 TYR A 92 -0.871 -18.248 16.458 1.00 22.12 H new ATOM 0 HB3 TYR A 92 -2.059 -18.898 17.571 1.00 22.12 H new ATOM 0 HD1 TYR A 92 -1.548 -21.073 18.800 1.00 31.34 H new ATOM 0 HD2 TYR A 92 1.393 -19.083 16.435 1.00 1.34 H new ATOM 0 HE1 TYR A 92 0.224 -22.358 19.914 1.00 25.34 H new ATOM 0 HE2 TYR A 92 3.160 -20.370 17.550 1.00 1.44 H new ATOM 0 HH TYR A 92 3.662 -21.904 19.052 1.00 41.33 H new ATOM 1446 N LYS A 93 -0.484 -21.503 14.593 1.00 72.42 N ATOM 1447 CA LYS A 93 0.528 -21.963 13.631 1.00 43.14 C ATOM 1448 C LYS A 93 -0.077 -22.288 12.250 1.00 43.34 C ATOM 1449 O LYS A 93 0.653 -22.450 11.274 1.00 54.15 O ATOM 1450 CB LYS A 93 1.278 -23.188 14.192 1.00 61.31 C ATOM 1451 CG LYS A 93 0.382 -24.380 14.537 1.00 55.24 C ATOM 1452 CD LYS A 93 1.188 -25.549 15.109 1.00 31.31 C ATOM 1453 CE LYS A 93 0.296 -26.732 15.481 1.00 42.34 C ATOM 1454 NZ LYS A 93 1.079 -27.871 16.039 1.00 42.23 N ATOM 0 H LYS A 93 -0.780 -22.216 15.260 1.00 72.42 H new ATOM 0 HA LYS A 93 1.232 -21.143 13.486 1.00 43.14 H new ATOM 0 HB2 LYS A 93 2.021 -23.508 13.462 1.00 61.31 H new ATOM 0 HB3 LYS A 93 1.820 -22.887 15.088 1.00 61.31 H new ATOM 0 HG2 LYS A 93 -0.373 -24.070 15.260 1.00 55.24 H new ATOM 0 HG3 LYS A 93 -0.148 -24.707 13.643 1.00 55.24 H new ATOM 0 HD2 LYS A 93 1.930 -25.870 14.378 1.00 31.31 H new ATOM 0 HD3 LYS A 93 1.734 -25.215 15.991 1.00 31.31 H new ATOM 0 HE2 LYS A 93 -0.446 -26.410 16.212 1.00 42.34 H new ATOM 0 HE3 LYS A 93 -0.250 -27.066 14.598 1.00 42.34 H new ATOM 0 HZ1 LYS A 93 0.434 -28.652 16.278 1.00 42.23 H new ATOM 0 HZ2 LYS A 93 1.770 -28.196 15.333 1.00 42.23 H new ATOM 0 HZ3 LYS A 93 1.580 -27.561 16.896 1.00 42.23 H new