USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 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 29 ASN : amide:sc= -2.62! K(o=-4.1!,f=-1.6) USER MOD Set 1.2: A 76 GLN : amide:sc= -1.52 X(o=-4.1,f=-4.2!) USER MOD Set 2.1: A 57 SER OG : rot 169:sc= 0.747 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -155:sc= 1.01 (180deg=-0.175) USER MOD Set 3.1: A 31 TYR OH : rot 150:sc= 0.772 USER MOD Set 3.2: A 38 SER OG : rot 99:sc= 0.917 USER MOD Single : A 12 HIS : no HD1:sc=-0.00815 X(o=-0.0081,f=-0.00033) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -128:sc= 0 (180deg=-1.13) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.021 (180deg=-0.241) USER MOD Single : A 52 HIS : no HD1:sc= -0.79 K(o=-0.79,f=0.17) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.5!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.245 USER MOD Single : A 77 CYS SG : rot 160:sc= -0.423 USER MOD Single : A 83 THR OG1 : rot -64:sc= 0.283 USER MOD Single : A 86 SER OG : rot -102:sc= 0.687 USER MOD Single : A 91 SER OG : rot 43:sc= 0.528 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 3.513 -5.394 8.013 1.00 11.12 N ATOM 80 CA PRO A 6 3.935 -6.136 9.217 1.00 52.23 C ATOM 81 C PRO A 6 2.755 -6.595 10.100 1.00 30.55 C ATOM 82 O PRO A 6 1.659 -6.031 10.046 1.00 5.22 O ATOM 83 CB PRO A 6 4.798 -5.106 9.956 1.00 11.01 C ATOM 84 CG PRO A 6 4.207 -3.787 9.582 1.00 32.51 C ATOM 85 CD PRO A 6 3.719 -3.935 8.162 1.00 1.43 C ATOM 0 HA PRO A 6 4.450 -7.063 8.965 1.00 52.23 H new ATOM 0 HB2 PRO A 6 4.768 -5.263 11.034 1.00 11.01 H new ATOM 0 HB3 PRO A 6 5.843 -5.173 9.653 1.00 11.01 H new ATOM 0 HG2 PRO A 6 3.387 -3.524 10.250 1.00 32.51 H new ATOM 0 HG3 PRO A 6 4.949 -2.992 9.658 1.00 32.51 H new ATOM 0 HD2 PRO A 6 2.795 -3.381 7.996 1.00 1.43 H new ATOM 0 HD3 PRO A 6 4.449 -3.558 7.446 1.00 1.43 H new ATOM 93 N ILE A 7 2.990 -7.624 10.916 1.00 13.34 N ATOM 94 CA ILE A 7 1.967 -8.145 11.831 1.00 3.05 C ATOM 95 C ILE A 7 2.115 -7.513 13.227 1.00 62.24 C ATOM 96 O ILE A 7 3.013 -7.870 13.989 1.00 61.13 O ATOM 97 CB ILE A 7 2.028 -9.701 11.964 1.00 55.31 C ATOM 98 CG1 ILE A 7 1.771 -10.397 10.607 1.00 24.31 C ATOM 99 CG2 ILE A 7 1.031 -10.196 13.017 1.00 43.31 C ATOM 100 CD1 ILE A 7 2.903 -10.255 9.606 1.00 15.11 C ATOM 0 H ILE A 7 3.882 -8.116 10.963 1.00 13.34 H new ATOM 0 HA ILE A 7 1.001 -7.878 11.403 1.00 3.05 H new ATOM 0 HB ILE A 7 3.035 -9.963 12.288 1.00 55.31 H new ATOM 0 HG12 ILE A 7 1.590 -11.457 10.785 1.00 24.31 H new ATOM 0 HG13 ILE A 7 0.861 -9.987 10.169 1.00 24.31 H new ATOM 0 HG21 ILE A 7 1.091 -11.282 13.093 1.00 43.31 H new ATOM 0 HG22 ILE A 7 1.271 -9.751 13.983 1.00 43.31 H new ATOM 0 HG23 ILE A 7 0.021 -9.908 12.726 1.00 43.31 H new ATOM 0 HD11 ILE A 7 2.640 -10.772 8.683 1.00 15.11 H new ATOM 0 HD12 ILE A 7 3.072 -9.199 9.395 1.00 15.11 H new ATOM 0 HD13 ILE A 7 3.812 -10.692 10.020 1.00 15.11 H new ATOM 112 N GLU A 8 1.247 -6.554 13.547 1.00 20.12 N ATOM 113 CA GLU A 8 1.278 -5.874 14.852 1.00 32.02 C ATOM 114 C GLU A 8 0.270 -6.498 15.833 1.00 63.13 C ATOM 115 O GLU A 8 -0.937 -6.502 15.583 1.00 12.21 O ATOM 116 CB GLU A 8 0.978 -4.374 14.687 1.00 55.02 C ATOM 117 CG GLU A 8 0.935 -3.605 16.007 1.00 11.14 C ATOM 118 CD GLU A 8 0.558 -2.144 15.828 1.00 33.21 C ATOM 119 OE1 GLU A 8 -0.571 -1.871 15.370 1.00 41.21 O ATOM 120 OE2 GLU A 8 1.384 -1.260 16.138 1.00 52.13 O ATOM 0 H GLU A 8 0.510 -6.226 12.922 1.00 20.12 H new ATOM 0 HA GLU A 8 2.280 -5.998 15.262 1.00 32.02 H new ATOM 0 HB2 GLU A 8 1.737 -3.930 14.043 1.00 55.02 H new ATOM 0 HB3 GLU A 8 0.021 -4.258 14.178 1.00 55.02 H new ATOM 0 HG2 GLU A 8 0.218 -4.081 16.676 1.00 11.14 H new ATOM 0 HG3 GLU A 8 1.910 -3.667 16.490 1.00 11.14 H new ATOM 127 N ILE A 9 0.771 -7.025 16.949 1.00 41.30 N ATOM 128 CA ILE A 9 -0.086 -7.629 17.974 1.00 73.04 C ATOM 129 C ILE A 9 0.124 -6.961 19.345 1.00 23.22 C ATOM 130 O ILE A 9 1.181 -7.108 19.962 1.00 73.10 O ATOM 131 CB ILE A 9 0.179 -9.154 18.105 1.00 5.12 C ATOM 132 CG1 ILE A 9 0.028 -9.850 16.741 1.00 44.25 C ATOM 133 CG2 ILE A 9 -0.765 -9.776 19.136 1.00 51.53 C ATOM 134 CD1 ILE A 9 0.310 -11.339 16.775 1.00 41.14 C ATOM 0 H ILE A 9 1.767 -7.047 17.169 1.00 41.30 H new ATOM 0 HA ILE A 9 -1.116 -7.472 17.655 1.00 73.04 H new ATOM 0 HB ILE A 9 1.204 -9.296 18.449 1.00 5.12 H new ATOM 0 HG12 ILE A 9 -0.986 -9.691 16.373 1.00 44.25 H new ATOM 0 HG13 ILE A 9 0.704 -9.379 16.027 1.00 44.25 H new ATOM 0 HG21 ILE A 9 -0.565 -10.845 19.214 1.00 51.53 H new ATOM 0 HG22 ILE A 9 -0.606 -9.305 20.106 1.00 51.53 H new ATOM 0 HG23 ILE A 9 -1.798 -9.622 18.823 1.00 51.53 H new ATOM 0 HD11 ILE A 9 0.182 -11.756 15.776 1.00 41.14 H new ATOM 0 HD12 ILE A 9 1.333 -11.508 17.111 1.00 41.14 H new ATOM 0 HD13 ILE A 9 -0.382 -11.825 17.462 1.00 41.14 H new ATOM 146 N ALA A 10 -0.881 -6.208 19.798 1.00 73.22 N ATOM 147 CA ALA A 10 -0.866 -5.575 21.128 1.00 2.34 C ATOM 148 C ALA A 10 0.383 -4.706 21.349 1.00 51.42 C ATOM 149 O ALA A 10 1.048 -4.806 22.384 1.00 54.15 O ATOM 150 CB ALA A 10 -0.981 -6.638 22.218 1.00 31.24 C ATOM 0 H ALA A 10 -1.726 -6.018 19.260 1.00 73.22 H new ATOM 0 HA ALA A 10 -1.728 -4.910 21.182 1.00 2.34 H new ATOM 0 HB1 ALA A 10 -0.969 -6.158 23.197 1.00 31.24 H new ATOM 0 HB2 ALA A 10 -1.915 -7.186 22.094 1.00 31.24 H new ATOM 0 HB3 ALA A 10 -0.142 -7.329 22.142 1.00 31.24 H new ATOM 156 N GLY A 11 0.689 -3.847 20.380 1.00 62.21 N ATOM 157 CA GLY A 11 1.855 -2.970 20.485 1.00 73.13 C ATOM 158 C GLY A 11 3.172 -3.646 20.098 1.00 22.22 C ATOM 159 O GLY A 11 4.228 -3.013 20.097 1.00 44.33 O ATOM 0 H GLY A 11 0.152 -3.739 19.520 1.00 62.21 H new ATOM 0 HA2 GLY A 11 1.702 -2.100 19.846 1.00 73.13 H new ATOM 0 HA3 GLY A 11 1.932 -2.604 21.509 1.00 73.13 H new ATOM 163 N HIS A 12 3.120 -4.938 19.778 1.00 72.20 N ATOM 164 CA HIS A 12 4.315 -5.680 19.362 1.00 42.34 C ATOM 165 C HIS A 12 4.358 -5.836 17.834 1.00 2.42 C ATOM 166 O HIS A 12 3.589 -6.600 17.253 1.00 74.22 O ATOM 167 CB HIS A 12 4.353 -7.052 20.049 1.00 54.35 C ATOM 168 CG HIS A 12 4.475 -6.964 21.542 1.00 72.25 C ATOM 169 ND1 HIS A 12 5.681 -7.042 22.203 1.00 32.45 N ATOM 170 CD2 HIS A 12 3.535 -6.800 22.505 1.00 25.20 C ATOM 171 CE1 HIS A 12 5.481 -6.930 23.501 1.00 75.24 C ATOM 172 NE2 HIS A 12 4.188 -6.781 23.713 1.00 41.24 N ATOM 0 H HIS A 12 2.265 -5.495 19.798 1.00 72.20 H new ATOM 0 HA HIS A 12 5.196 -5.114 19.666 1.00 42.34 H new ATOM 0 HB2 HIS A 12 3.446 -7.602 19.797 1.00 54.35 H new ATOM 0 HB3 HIS A 12 5.193 -7.625 19.656 1.00 54.35 H new ATOM 0 HD2 HIS A 12 2.471 -6.702 22.351 1.00 25.20 H new ATOM 0 HE1 HIS A 12 6.247 -6.956 24.262 1.00 75.24 H new ATOM 0 HE2 HIS A 12 3.745 -6.670 24.625 1.00 41.24 H new ATOM 181 N GLU A 13 5.254 -5.090 17.194 1.00 42.13 N ATOM 182 CA GLU A 13 5.375 -5.090 15.731 1.00 53.15 C ATOM 183 C GLU A 13 6.270 -6.232 15.228 1.00 11.10 C ATOM 184 O GLU A 13 7.490 -6.204 15.410 1.00 25.33 O ATOM 185 CB GLU A 13 5.955 -3.755 15.255 1.00 1.01 C ATOM 186 CG GLU A 13 5.048 -2.555 15.488 1.00 4.15 C ATOM 187 CD GLU A 13 5.721 -1.244 15.111 1.00 50.31 C ATOM 188 OE1 GLU A 13 5.921 -0.995 13.903 1.00 63.24 O ATOM 189 OE2 GLU A 13 6.054 -0.459 16.025 1.00 61.32 O ATOM 0 H GLU A 13 5.914 -4.472 17.666 1.00 42.13 H new ATOM 0 HA GLU A 13 4.375 -5.236 15.323 1.00 53.15 H new ATOM 0 HB2 GLU A 13 6.903 -3.583 15.765 1.00 1.01 H new ATOM 0 HB3 GLU A 13 6.174 -3.828 14.190 1.00 1.01 H new ATOM 0 HG2 GLU A 13 4.135 -2.673 14.905 1.00 4.15 H new ATOM 0 HG3 GLU A 13 4.754 -2.522 16.537 1.00 4.15 H new ATOM 196 N PHE A 14 5.663 -7.228 14.594 1.00 44.13 N ATOM 197 CA PHE A 14 6.409 -8.330 13.981 1.00 22.05 C ATOM 198 C PHE A 14 6.477 -8.148 12.458 1.00 53.44 C ATOM 199 O PHE A 14 5.506 -8.404 11.745 1.00 24.23 O ATOM 200 CB PHE A 14 5.748 -9.672 14.321 1.00 64.34 C ATOM 201 CG PHE A 14 5.519 -9.865 15.798 1.00 41.44 C ATOM 202 CD1 PHE A 14 6.589 -10.050 16.660 1.00 50.13 C ATOM 203 CD2 PHE A 14 4.234 -9.859 16.323 1.00 12.45 C ATOM 204 CE1 PHE A 14 6.384 -10.229 18.012 1.00 14.05 C ATOM 205 CE2 PHE A 14 4.024 -10.037 17.674 1.00 13.40 C ATOM 206 CZ PHE A 14 5.100 -10.222 18.521 1.00 31.03 C ATOM 0 H PHE A 14 4.651 -7.299 14.489 1.00 44.13 H new ATOM 0 HA PHE A 14 7.423 -8.325 14.380 1.00 22.05 H new ATOM 0 HB2 PHE A 14 4.793 -9.741 13.800 1.00 64.34 H new ATOM 0 HB3 PHE A 14 6.374 -10.483 13.948 1.00 64.34 H new ATOM 0 HD1 PHE A 14 7.595 -10.054 16.268 1.00 50.13 H new ATOM 0 HD2 PHE A 14 3.389 -9.713 15.666 1.00 12.45 H new ATOM 0 HE1 PHE A 14 7.226 -10.374 18.672 1.00 14.05 H new ATOM 0 HE2 PHE A 14 3.019 -10.032 18.070 1.00 13.40 H new ATOM 0 HZ PHE A 14 4.937 -10.361 19.580 1.00 31.03 H new ATOM 216 N ALA A 15 7.628 -7.703 11.961 1.00 54.40 N ATOM 217 CA ALA A 15 7.797 -7.426 10.527 1.00 22.44 C ATOM 218 C ALA A 15 7.987 -8.710 9.702 1.00 72.41 C ATOM 219 O ALA A 15 8.233 -8.651 8.496 1.00 35.35 O ATOM 220 CB ALA A 15 8.976 -6.482 10.314 1.00 4.22 C ATOM 0 H ALA A 15 8.459 -7.525 12.524 1.00 54.40 H new ATOM 0 HA ALA A 15 6.880 -6.952 10.176 1.00 22.44 H new ATOM 0 HB1 ALA A 15 9.094 -6.282 9.249 1.00 4.22 H new ATOM 0 HB2 ALA A 15 8.792 -5.546 10.841 1.00 4.22 H new ATOM 0 HB3 ALA A 15 9.885 -6.943 10.700 1.00 4.22 H new ATOM 226 N ARG A 16 7.859 -9.867 10.349 1.00 22.22 N ATOM 227 CA ARG A 16 8.052 -11.152 9.675 1.00 4.23 C ATOM 228 C ARG A 16 7.259 -12.271 10.376 1.00 64.41 C ATOM 229 O ARG A 16 7.171 -12.306 11.605 1.00 1.14 O ATOM 230 CB ARG A 16 9.553 -11.482 9.635 1.00 21.22 C ATOM 231 CG ARG A 16 9.915 -12.701 8.793 1.00 11.41 C ATOM 232 CD ARG A 16 11.421 -12.783 8.553 1.00 42.42 C ATOM 233 NE ARG A 16 11.921 -11.621 7.810 1.00 44.22 N ATOM 234 CZ ARG A 16 13.153 -11.184 7.855 1.00 0.32 C ATOM 235 NH1 ARG A 16 14.018 -11.724 8.652 1.00 74.54 N ATOM 236 NH2 ARG A 16 13.505 -10.176 7.125 1.00 41.22 N ATOM 0 H ARG A 16 7.623 -9.942 11.338 1.00 22.22 H new ATOM 0 HA ARG A 16 7.674 -11.079 8.655 1.00 4.23 H new ATOM 0 HB2 ARG A 16 10.091 -10.617 9.248 1.00 21.22 H new ATOM 0 HB3 ARG A 16 9.903 -11.645 10.654 1.00 21.22 H new ATOM 0 HG2 ARG A 16 9.575 -13.607 9.295 1.00 11.41 H new ATOM 0 HG3 ARG A 16 9.394 -12.653 7.837 1.00 11.41 H new ATOM 0 HD2 ARG A 16 11.938 -12.852 9.510 1.00 42.42 H new ATOM 0 HD3 ARG A 16 11.651 -13.694 8.000 1.00 42.42 H new ATOM 0 HE ARG A 16 11.261 -11.118 7.216 1.00 44.22 H new ATOM 0 HH11 ARG A 16 13.742 -12.500 9.254 1.00 74.54 H new ATOM 0 HH12 ARG A 16 14.976 -11.374 8.678 1.00 74.54 H new ATOM 0 HH21 ARG A 16 12.823 -9.724 6.516 1.00 41.22 H new ATOM 0 HH22 ARG A 16 14.465 -9.833 7.158 1.00 41.22 H new ATOM 250 N LYS A 17 6.691 -13.182 9.585 1.00 13.42 N ATOM 251 CA LYS A 17 5.825 -14.256 10.103 1.00 55.43 C ATOM 252 C LYS A 17 6.533 -15.132 11.154 1.00 72.44 C ATOM 253 O LYS A 17 5.914 -15.578 12.119 1.00 74.03 O ATOM 254 CB LYS A 17 5.309 -15.104 8.923 1.00 41.05 C ATOM 255 CG LYS A 17 4.584 -16.401 9.308 1.00 30.25 C ATOM 256 CD LYS A 17 5.507 -17.620 9.243 1.00 63.54 C ATOM 257 CE LYS A 17 4.775 -18.910 9.599 1.00 74.34 C ATOM 258 NZ LYS A 17 5.640 -20.106 9.413 1.00 63.33 N ATOM 0 H LYS A 17 6.814 -13.202 8.573 1.00 13.42 H new ATOM 0 HA LYS A 17 4.982 -13.795 10.617 1.00 55.43 H new ATOM 0 HB2 LYS A 17 4.631 -14.492 8.328 1.00 41.05 H new ATOM 0 HB3 LYS A 17 6.154 -15.357 8.283 1.00 41.05 H new ATOM 0 HG2 LYS A 17 4.182 -16.305 10.317 1.00 30.25 H new ATOM 0 HG3 LYS A 17 3.736 -16.553 8.640 1.00 30.25 H new ATOM 0 HD2 LYS A 17 5.925 -17.705 8.240 1.00 63.54 H new ATOM 0 HD3 LYS A 17 6.344 -17.478 9.926 1.00 63.54 H new ATOM 0 HE2 LYS A 17 4.438 -18.863 10.635 1.00 74.34 H new ATOM 0 HE3 LYS A 17 3.884 -19.006 8.978 1.00 74.34 H new ATOM 0 HZ1 LYS A 17 5.107 -20.963 9.665 1.00 63.33 H new ATOM 0 HZ2 LYS A 17 5.941 -20.166 8.419 1.00 63.33 H new ATOM 0 HZ3 LYS A 17 6.478 -20.027 10.024 1.00 63.33 H new ATOM 272 N ALA A 18 7.827 -15.374 10.965 1.00 62.15 N ATOM 273 CA ALA A 18 8.609 -16.177 11.915 1.00 13.02 C ATOM 274 C ALA A 18 8.814 -15.443 13.254 1.00 21.03 C ATOM 275 O ALA A 18 8.864 -16.069 14.314 1.00 50.21 O ATOM 276 CB ALA A 18 9.955 -16.551 11.301 1.00 63.13 C ATOM 0 H ALA A 18 8.360 -15.029 10.167 1.00 62.15 H new ATOM 0 HA ALA A 18 8.045 -17.086 12.125 1.00 13.02 H new ATOM 0 HB1 ALA A 18 10.527 -17.146 12.013 1.00 63.13 H new ATOM 0 HB2 ALA A 18 9.792 -17.130 10.392 1.00 63.13 H new ATOM 0 HB3 ALA A 18 10.509 -15.644 11.059 1.00 63.13 H new ATOM 282 N ASP A 19 8.917 -14.113 13.193 1.00 23.44 N ATOM 283 CA ASP A 19 9.149 -13.284 14.383 1.00 64.42 C ATOM 284 C ASP A 19 7.960 -13.360 15.359 1.00 24.15 C ATOM 285 O ASP A 19 8.141 -13.455 16.577 1.00 34.01 O ATOM 286 CB ASP A 19 9.406 -11.833 13.954 1.00 52.04 C ATOM 287 CG ASP A 19 9.855 -10.942 15.098 1.00 20.33 C ATOM 288 OD1 ASP A 19 10.626 -11.413 15.960 1.00 30.00 O ATOM 289 OD2 ASP A 19 9.466 -9.759 15.122 1.00 30.15 O ATOM 0 H ASP A 19 8.843 -13.582 12.325 1.00 23.44 H new ATOM 0 HA ASP A 19 10.025 -13.665 14.907 1.00 64.42 H new ATOM 0 HB2 ASP A 19 10.166 -11.821 13.173 1.00 52.04 H new ATOM 0 HB3 ASP A 19 8.495 -11.423 13.519 1.00 52.04 H new ATOM 294 N ALA A 20 6.742 -13.329 14.812 1.00 22.51 N ATOM 295 CA ALA A 20 5.524 -13.473 15.620 1.00 12.35 C ATOM 296 C ALA A 20 5.540 -14.779 16.430 1.00 33.50 C ATOM 297 O ALA A 20 5.290 -14.780 17.638 1.00 53.42 O ATOM 298 CB ALA A 20 4.288 -13.426 14.727 1.00 31.51 C ATOM 0 H ALA A 20 6.571 -13.206 13.814 1.00 22.51 H new ATOM 0 HA ALA A 20 5.490 -12.640 16.323 1.00 12.35 H new ATOM 0 HB1 ALA A 20 3.393 -13.534 15.339 1.00 31.51 H new ATOM 0 HB2 ALA A 20 4.255 -12.472 14.201 1.00 31.51 H new ATOM 0 HB3 ALA A 20 4.332 -14.239 14.002 1.00 31.51 H new ATOM 304 N LEU A 21 5.854 -15.884 15.755 1.00 3.43 N ATOM 305 CA LEU A 21 5.908 -17.201 16.400 1.00 53.01 C ATOM 306 C LEU A 21 7.068 -17.287 17.404 1.00 64.13 C ATOM 307 O LEU A 21 6.960 -17.950 18.437 1.00 63.52 O ATOM 308 CB LEU A 21 6.046 -18.303 15.339 1.00 21.11 C ATOM 309 CG LEU A 21 4.968 -18.293 14.242 1.00 62.22 C ATOM 310 CD1 LEU A 21 5.144 -19.480 13.299 1.00 61.43 C ATOM 311 CD2 LEU A 21 3.569 -18.284 14.853 1.00 65.55 C ATOM 0 H LEU A 21 6.076 -15.896 14.759 1.00 3.43 H new ATOM 0 HA LEU A 21 4.977 -17.344 16.949 1.00 53.01 H new ATOM 0 HB2 LEU A 21 7.024 -18.210 14.866 1.00 21.11 H new ATOM 0 HB3 LEU A 21 6.024 -19.271 15.839 1.00 21.11 H new ATOM 0 HG LEU A 21 5.086 -17.379 13.660 1.00 62.22 H new ATOM 0 HD11 LEU A 21 4.371 -19.453 12.531 1.00 61.43 H new ATOM 0 HD12 LEU A 21 6.125 -19.428 12.828 1.00 61.43 H new ATOM 0 HD13 LEU A 21 5.062 -20.409 13.864 1.00 61.43 H new ATOM 0 HD21 LEU A 21 2.824 -18.277 14.057 1.00 65.55 H new ATOM 0 HD22 LEU A 21 3.435 -19.174 15.468 1.00 65.55 H new ATOM 0 HD23 LEU A 21 3.448 -17.394 15.471 1.00 65.55 H new ATOM 323 N ALA A 22 8.176 -16.615 17.088 1.00 13.35 N ATOM 324 CA ALA A 22 9.341 -16.571 17.978 1.00 43.31 C ATOM 325 C ALA A 22 8.979 -15.963 19.340 1.00 72.43 C ATOM 326 O ALA A 22 9.326 -16.509 20.389 1.00 13.04 O ATOM 327 CB ALA A 22 10.475 -15.782 17.329 1.00 13.41 C ATOM 0 H ALA A 22 8.293 -16.092 16.220 1.00 13.35 H new ATOM 0 HA ALA A 22 9.674 -17.595 18.146 1.00 43.31 H new ATOM 0 HB1 ALA A 22 11.333 -15.758 18.001 1.00 13.41 H new ATOM 0 HB2 ALA A 22 10.761 -16.260 16.392 1.00 13.41 H new ATOM 0 HB3 ALA A 22 10.142 -14.764 17.129 1.00 13.41 H new ATOM 333 N PHE A 23 8.271 -14.832 19.315 1.00 44.00 N ATOM 334 CA PHE A 23 7.815 -14.179 20.547 1.00 41.24 C ATOM 335 C PHE A 23 6.860 -15.095 21.329 1.00 22.01 C ATOM 336 O PHE A 23 7.087 -15.383 22.506 1.00 52.32 O ATOM 337 CB PHE A 23 7.127 -12.844 20.224 1.00 4.40 C ATOM 338 CG PHE A 23 6.723 -12.052 21.445 1.00 60.54 C ATOM 339 CD1 PHE A 23 7.642 -11.247 22.103 1.00 53.54 C ATOM 340 CD2 PHE A 23 5.423 -12.107 21.930 1.00 12.04 C ATOM 341 CE1 PHE A 23 7.273 -10.515 23.218 1.00 34.25 C ATOM 342 CE2 PHE A 23 5.050 -11.380 23.045 1.00 41.32 C ATOM 343 CZ PHE A 23 5.975 -10.581 23.689 1.00 13.41 C ATOM 0 H PHE A 23 8.001 -14.349 18.458 1.00 44.00 H new ATOM 0 HA PHE A 23 8.687 -13.981 21.170 1.00 41.24 H new ATOM 0 HB2 PHE A 23 7.799 -12.238 19.616 1.00 4.40 H new ATOM 0 HB3 PHE A 23 6.241 -13.040 19.621 1.00 4.40 H new ATOM 0 HD1 PHE A 23 8.658 -11.191 21.740 1.00 53.54 H new ATOM 0 HD2 PHE A 23 4.693 -12.726 21.429 1.00 12.04 H new ATOM 0 HE1 PHE A 23 7.999 -9.892 23.720 1.00 34.25 H new ATOM 0 HE2 PHE A 23 4.036 -11.437 23.413 1.00 41.32 H new ATOM 0 HZ PHE A 23 5.685 -10.009 24.558 1.00 13.41 H new ATOM 353 N MET A 24 5.794 -15.549 20.658 1.00 52.52 N ATOM 354 CA MET A 24 4.844 -16.507 21.237 1.00 42.00 C ATOM 355 C MET A 24 5.559 -17.713 21.865 1.00 55.42 C ATOM 356 O MET A 24 5.148 -18.207 22.914 1.00 43.52 O ATOM 357 CB MET A 24 3.846 -16.980 20.171 1.00 14.52 C ATOM 358 CG MET A 24 2.978 -15.862 19.612 1.00 12.45 C ATOM 359 SD MET A 24 1.788 -16.455 18.394 1.00 73.30 S ATOM 360 CE MET A 24 0.977 -14.922 17.948 1.00 74.15 C ATOM 0 H MET A 24 5.567 -15.265 19.705 1.00 52.52 H new ATOM 0 HA MET A 24 4.304 -15.992 22.032 1.00 42.00 H new ATOM 0 HB2 MET A 24 4.395 -17.447 19.353 1.00 14.52 H new ATOM 0 HB3 MET A 24 3.203 -17.747 20.602 1.00 14.52 H new ATOM 0 HG2 MET A 24 2.445 -15.377 20.430 1.00 12.45 H new ATOM 0 HG3 MET A 24 3.616 -15.106 19.154 1.00 12.45 H new ATOM 0 HE1 MET A 24 0.210 -15.121 17.199 1.00 74.15 H new ATOM 0 HE2 MET A 24 0.516 -14.484 18.833 1.00 74.15 H new ATOM 0 HE3 MET A 24 1.711 -14.227 17.540 1.00 74.15 H new ATOM 370 N LYS A 25 6.633 -18.177 21.230 1.00 31.31 N ATOM 371 CA LYS A 25 7.430 -19.278 21.778 1.00 4.23 C ATOM 372 C LYS A 25 8.070 -18.887 23.121 1.00 12.04 C ATOM 373 O LYS A 25 7.939 -19.604 24.111 1.00 51.21 O ATOM 374 CB LYS A 25 8.526 -19.703 20.792 1.00 22.15 C ATOM 375 CG LYS A 25 9.358 -20.883 21.286 1.00 74.12 C ATOM 376 CD LYS A 25 10.545 -21.169 20.371 1.00 20.42 C ATOM 377 CE LYS A 25 11.378 -22.336 20.887 1.00 41.43 C ATOM 378 NZ LYS A 25 12.611 -22.546 20.085 1.00 72.12 N ATOM 0 H LYS A 25 6.972 -17.812 20.340 1.00 31.31 H new ATOM 0 HA LYS A 25 6.754 -20.117 21.943 1.00 4.23 H new ATOM 0 HB2 LYS A 25 8.066 -19.965 19.839 1.00 22.15 H new ATOM 0 HB3 LYS A 25 9.185 -18.855 20.605 1.00 22.15 H new ATOM 0 HG2 LYS A 25 9.719 -20.676 22.293 1.00 74.12 H new ATOM 0 HG3 LYS A 25 8.727 -21.770 21.349 1.00 74.12 H new ATOM 0 HD2 LYS A 25 10.186 -21.393 19.366 1.00 20.42 H new ATOM 0 HD3 LYS A 25 11.170 -20.279 20.295 1.00 20.42 H new ATOM 0 HE2 LYS A 25 11.650 -22.154 21.927 1.00 41.43 H new ATOM 0 HE3 LYS A 25 10.776 -23.245 20.869 1.00 41.43 H new ATOM 0 HZ1 LYS A 25 13.145 -23.350 20.473 1.00 72.12 H new ATOM 0 HZ2 LYS A 25 12.353 -22.746 19.098 1.00 72.12 H new ATOM 0 HZ3 LYS A 25 13.199 -21.689 20.122 1.00 72.12 H new ATOM 392 N VAL A 26 8.755 -17.740 23.149 1.00 51.15 N ATOM 393 CA VAL A 26 9.446 -17.273 24.362 1.00 41.42 C ATOM 394 C VAL A 26 8.475 -17.076 25.542 1.00 50.42 C ATOM 395 O VAL A 26 8.744 -17.515 26.663 1.00 24.13 O ATOM 396 CB VAL A 26 10.208 -15.948 24.101 1.00 24.32 C ATOM 397 CG1 VAL A 26 10.930 -15.473 25.361 1.00 0.20 C ATOM 398 CG2 VAL A 26 11.191 -16.105 22.941 1.00 52.35 C ATOM 0 H VAL A 26 8.848 -17.116 22.348 1.00 51.15 H new ATOM 0 HA VAL A 26 10.159 -18.053 24.628 1.00 41.42 H new ATOM 0 HB VAL A 26 9.475 -15.189 23.826 1.00 24.32 H new ATOM 0 HG11 VAL A 26 11.456 -14.542 25.150 1.00 0.20 H new ATOM 0 HG12 VAL A 26 10.203 -15.307 26.156 1.00 0.20 H new ATOM 0 HG13 VAL A 26 11.647 -16.231 25.677 1.00 0.20 H new ATOM 0 HG21 VAL A 26 11.714 -15.163 22.777 1.00 52.35 H new ATOM 0 HG22 VAL A 26 11.915 -16.884 23.180 1.00 52.35 H new ATOM 0 HG23 VAL A 26 10.647 -16.380 22.038 1.00 52.35 H new ATOM 408 N MET A 27 7.349 -16.411 25.289 1.00 34.03 N ATOM 409 CA MET A 27 6.331 -16.186 26.327 1.00 2.43 C ATOM 410 C MET A 27 5.683 -17.509 26.779 1.00 74.14 C ATOM 411 O MET A 27 5.461 -17.727 27.968 1.00 40.35 O ATOM 412 CB MET A 27 5.268 -15.197 25.820 1.00 33.10 C ATOM 413 CG MET A 27 4.637 -15.608 24.500 1.00 70.20 C ATOM 414 SD MET A 27 3.650 -14.305 23.742 1.00 33.21 S ATOM 415 CE MET A 27 2.249 -14.251 24.848 1.00 44.22 C ATOM 0 H MET A 27 7.114 -16.017 24.378 1.00 34.03 H new ATOM 0 HA MET A 27 6.824 -15.754 27.198 1.00 2.43 H new ATOM 0 HB2 MET A 27 4.486 -15.100 26.573 1.00 33.10 H new ATOM 0 HB3 MET A 27 5.724 -14.214 25.705 1.00 33.10 H new ATOM 0 HG2 MET A 27 5.424 -15.907 23.807 1.00 70.20 H new ATOM 0 HG3 MET A 27 4.007 -16.482 24.664 1.00 70.20 H new ATOM 0 HE1 MET A 27 1.327 -14.330 24.272 1.00 44.22 H new ATOM 0 HE2 MET A 27 2.309 -15.081 25.552 1.00 44.22 H new ATOM 0 HE3 MET A 27 2.255 -13.309 25.396 1.00 44.22 H new ATOM 425 N LEU A 28 5.410 -18.398 25.825 1.00 41.51 N ATOM 426 CA LEU A 28 4.817 -19.710 26.125 1.00 11.20 C ATOM 427 C LEU A 28 5.770 -20.577 26.969 1.00 20.24 C ATOM 428 O LEU A 28 5.363 -21.197 27.951 1.00 42.43 O ATOM 429 CB LEU A 28 4.466 -20.424 24.811 1.00 23.24 C ATOM 430 CG LEU A 28 3.835 -21.819 24.944 1.00 33.11 C ATOM 431 CD1 LEU A 28 2.541 -21.765 25.754 1.00 3.12 C ATOM 432 CD2 LEU A 28 3.581 -22.418 23.561 1.00 23.11 C ATOM 0 H LEU A 28 5.589 -18.237 24.834 1.00 41.51 H new ATOM 0 HA LEU A 28 3.910 -19.555 26.710 1.00 11.20 H new ATOM 0 HB2 LEU A 28 3.780 -19.790 24.249 1.00 23.24 H new ATOM 0 HB3 LEU A 28 5.375 -20.515 24.217 1.00 23.24 H new ATOM 0 HG LEU A 28 4.535 -22.460 25.480 1.00 33.11 H new ATOM 0 HD11 LEU A 28 2.118 -22.767 25.831 1.00 3.12 H new ATOM 0 HD12 LEU A 28 2.753 -21.383 26.753 1.00 3.12 H new ATOM 0 HD13 LEU A 28 1.828 -21.107 25.257 1.00 3.12 H new ATOM 0 HD21 LEU A 28 3.134 -23.406 23.669 1.00 23.11 H new ATOM 0 HD22 LEU A 28 2.903 -21.772 23.004 1.00 23.11 H new ATOM 0 HD23 LEU A 28 4.525 -22.504 23.023 1.00 23.11 H new ATOM 444 N ASN A 29 7.048 -20.579 26.595 1.00 0.22 N ATOM 445 CA ASN A 29 8.076 -21.375 27.285 1.00 50.51 C ATOM 446 C ASN A 29 8.431 -20.798 28.673 1.00 31.32 C ATOM 447 O ASN A 29 9.284 -21.340 29.380 1.00 54.11 O ATOM 448 CB ASN A 29 9.336 -21.460 26.410 1.00 42.22 C ATOM 449 CG ASN A 29 9.144 -22.312 25.160 1.00 51.10 C ATOM 450 OD1 ASN A 29 10.100 -22.851 24.610 1.00 42.01 O ATOM 451 ND2 ASN A 29 7.916 -22.446 24.697 1.00 4.32 N ATOM 0 H ASN A 29 7.405 -20.034 25.810 1.00 0.22 H new ATOM 0 HA ASN A 29 7.668 -22.373 27.447 1.00 50.51 H new ATOM 0 HB2 ASN A 29 9.633 -20.454 26.114 1.00 42.22 H new ATOM 0 HB3 ASN A 29 10.154 -21.873 27.001 1.00 42.22 H new ATOM 0 HD21 ASN A 29 7.744 -23.008 23.863 1.00 4.32 H new ATOM 0 HD22 ASN A 29 7.139 -21.988 25.173 1.00 4.32 H new ATOM 458 N ARG A 30 7.787 -19.692 29.049 1.00 4.10 N ATOM 459 CA ARG A 30 7.968 -19.093 30.381 1.00 71.25 C ATOM 460 C ARG A 30 6.948 -19.657 31.384 1.00 43.35 C ATOM 461 O ARG A 30 7.163 -19.627 32.596 1.00 24.23 O ATOM 462 CB ARG A 30 7.833 -17.564 30.291 1.00 24.23 C ATOM 463 CG ARG A 30 7.928 -16.832 31.630 1.00 70.53 C ATOM 464 CD ARG A 30 9.291 -17.010 32.294 1.00 73.25 C ATOM 465 NE ARG A 30 9.345 -16.358 33.602 1.00 23.21 N ATOM 466 CZ ARG A 30 10.406 -16.316 34.363 1.00 22.22 C ATOM 467 NH1 ARG A 30 11.521 -16.847 33.973 1.00 64.43 N ATOM 468 NH2 ARG A 30 10.350 -15.740 35.520 1.00 64.45 N ATOM 0 H ARG A 30 7.132 -19.188 28.451 1.00 4.10 H new ATOM 0 HA ARG A 30 8.967 -19.345 30.737 1.00 71.25 H new ATOM 0 HB2 ARG A 30 8.610 -17.183 29.629 1.00 24.23 H new ATOM 0 HB3 ARG A 30 6.875 -17.324 29.829 1.00 24.23 H new ATOM 0 HG2 ARG A 30 7.738 -15.770 31.475 1.00 70.53 H new ATOM 0 HG3 ARG A 30 7.150 -17.200 32.299 1.00 70.53 H new ATOM 0 HD2 ARG A 30 9.504 -18.073 32.408 1.00 73.25 H new ATOM 0 HD3 ARG A 30 10.067 -16.597 31.649 1.00 73.25 H new ATOM 0 HE ARG A 30 8.497 -15.905 33.943 1.00 23.21 H new ATOM 0 HH11 ARG A 30 11.577 -17.304 33.063 1.00 64.43 H new ATOM 0 HH12 ARG A 30 12.343 -16.808 34.576 1.00 64.43 H new ATOM 0 HH21 ARG A 30 9.477 -15.319 35.838 1.00 64.45 H new ATOM 0 HH22 ARG A 30 11.179 -15.707 36.114 1.00 64.45 H new ATOM 482 N TYR A 31 5.837 -20.172 30.867 1.00 64.30 N ATOM 483 CA TYR A 31 4.782 -20.745 31.707 1.00 41.13 C ATOM 484 C TYR A 31 4.724 -22.269 31.533 1.00 63.53 C ATOM 485 O TYR A 31 4.883 -22.785 30.429 1.00 53.21 O ATOM 486 CB TYR A 31 3.430 -20.107 31.360 1.00 51.11 C ATOM 487 CG TYR A 31 3.429 -18.598 31.507 1.00 25.43 C ATOM 488 CD1 TYR A 31 3.117 -17.995 32.720 1.00 70.11 C ATOM 489 CD2 TYR A 31 3.761 -17.776 30.434 1.00 43.20 C ATOM 490 CE1 TYR A 31 3.142 -16.621 32.860 1.00 72.23 C ATOM 491 CE2 TYR A 31 3.784 -16.402 30.566 1.00 12.11 C ATOM 492 CZ TYR A 31 3.474 -15.829 31.781 1.00 15.14 C ATOM 493 OH TYR A 31 3.510 -14.460 31.924 1.00 15.13 O ATOM 0 H TYR A 31 5.640 -20.206 29.867 1.00 64.30 H new ATOM 0 HA TYR A 31 5.009 -20.532 32.752 1.00 41.13 H new ATOM 0 HB2 TYR A 31 3.165 -20.366 30.335 1.00 51.11 H new ATOM 0 HB3 TYR A 31 2.659 -20.529 32.005 1.00 51.11 H new ATOM 0 HD1 TYR A 31 2.851 -18.611 33.566 1.00 70.11 H new ATOM 0 HD2 TYR A 31 4.005 -18.221 29.481 1.00 43.20 H new ATOM 0 HE1 TYR A 31 2.902 -16.169 33.811 1.00 72.23 H new ATOM 0 HE2 TYR A 31 4.043 -15.780 29.722 1.00 12.11 H new ATOM 0 HH TYR A 31 4.175 -14.084 31.310 1.00 15.13 H new ATOM 503 N ARG A 32 4.499 -22.982 32.628 1.00 62.41 N ATOM 504 CA ARG A 32 4.531 -24.450 32.623 1.00 72.15 C ATOM 505 C ARG A 32 3.127 -25.042 32.428 1.00 1.32 C ATOM 506 O ARG A 32 2.127 -24.333 32.561 1.00 12.12 O ATOM 507 CB ARG A 32 5.136 -24.935 33.946 1.00 14.54 C ATOM 508 CG ARG A 32 6.491 -24.307 34.265 1.00 2.14 C ATOM 509 CD ARG A 32 6.756 -24.291 35.764 1.00 30.11 C ATOM 510 NE ARG A 32 5.739 -23.514 36.472 1.00 21.35 N ATOM 511 CZ ARG A 32 5.634 -23.439 37.767 1.00 65.22 C ATOM 512 NH1 ARG A 32 6.460 -24.071 38.532 1.00 20.31 N ATOM 513 NH2 ARG A 32 4.695 -22.726 38.291 1.00 44.21 N ATOM 0 H ARG A 32 4.291 -22.571 33.538 1.00 62.41 H new ATOM 0 HA ARG A 32 5.143 -24.787 31.787 1.00 72.15 H new ATOM 0 HB2 ARG A 32 4.442 -24.712 34.756 1.00 14.54 H new ATOM 0 HB3 ARG A 32 5.247 -26.019 33.910 1.00 14.54 H new ATOM 0 HG2 ARG A 32 7.280 -24.864 33.760 1.00 2.14 H new ATOM 0 HG3 ARG A 32 6.522 -23.289 33.877 1.00 2.14 H new ATOM 0 HD2 ARG A 32 6.768 -25.312 36.145 1.00 30.11 H new ATOM 0 HD3 ARG A 32 7.741 -23.867 35.957 1.00 30.11 H new ATOM 0 HE ARG A 32 5.064 -22.994 35.911 1.00 21.35 H new ATOM 0 HH11 ARG A 32 7.204 -24.636 38.123 1.00 20.31 H new ATOM 0 HH12 ARG A 32 6.369 -24.005 39.546 1.00 20.31 H new ATOM 0 HH21 ARG A 32 4.040 -22.225 37.691 1.00 44.21 H new ATOM 0 HH22 ARG A 32 4.608 -22.663 39.305 1.00 44.21 H new ATOM 527 N PRO A 33 3.030 -26.350 32.085 1.00 15.02 N ATOM 528 CA PRO A 33 1.735 -27.037 31.928 1.00 50.13 C ATOM 529 C PRO A 33 0.889 -27.004 33.209 1.00 64.34 C ATOM 530 O PRO A 33 0.820 -27.973 33.973 1.00 31.22 O ATOM 531 CB PRO A 33 2.120 -28.474 31.555 1.00 34.42 C ATOM 532 CG PRO A 33 3.540 -28.612 31.981 1.00 63.31 C ATOM 533 CD PRO A 33 4.158 -27.256 31.803 1.00 12.34 C ATOM 0 HA PRO A 33 1.112 -26.553 31.176 1.00 50.13 H new ATOM 0 HB2 PRO A 33 1.483 -29.198 32.063 1.00 34.42 H new ATOM 0 HB3 PRO A 33 2.010 -28.648 30.485 1.00 34.42 H new ATOM 0 HG2 PRO A 33 3.606 -28.938 33.019 1.00 63.31 H new ATOM 0 HG3 PRO A 33 4.057 -29.359 31.379 1.00 63.31 H new ATOM 0 HD2 PRO A 33 4.989 -27.096 32.490 1.00 12.34 H new ATOM 0 HD3 PRO A 33 4.547 -27.117 30.794 1.00 12.34 H new ATOM 541 N GLY A 34 0.277 -25.858 33.439 1.00 62.21 N ATOM 542 CA GLY A 34 -0.579 -25.665 34.607 1.00 24.42 C ATOM 543 C GLY A 34 -0.612 -24.220 35.104 1.00 4.32 C ATOM 544 O GLY A 34 -1.359 -23.897 36.030 1.00 71.54 O ATOM 0 H GLY A 34 0.354 -25.041 32.834 1.00 62.21 H new ATOM 0 HA2 GLY A 34 -1.593 -25.980 34.361 1.00 24.42 H new ATOM 0 HA3 GLY A 34 -0.232 -26.311 35.413 1.00 24.42 H new ATOM 548 N ASP A 35 0.202 -23.353 34.501 1.00 55.31 N ATOM 549 CA ASP A 35 0.244 -21.934 34.878 1.00 40.43 C ATOM 550 C ASP A 35 -0.772 -21.099 34.085 1.00 2.40 C ATOM 551 O ASP A 35 -1.043 -21.367 32.910 1.00 60.32 O ATOM 552 CB ASP A 35 1.648 -21.357 34.655 1.00 74.41 C ATOM 553 CG ASP A 35 2.671 -21.913 35.625 1.00 53.12 C ATOM 554 OD1 ASP A 35 3.215 -22.995 35.361 1.00 10.22 O ATOM 555 OD2 ASP A 35 2.934 -21.267 36.660 1.00 42.22 O ATOM 0 H ASP A 35 0.843 -23.606 33.749 1.00 55.31 H new ATOM 0 HA ASP A 35 -0.015 -21.881 35.935 1.00 40.43 H new ATOM 0 HB2 ASP A 35 1.967 -21.572 33.635 1.00 74.41 H new ATOM 0 HB3 ASP A 35 1.610 -20.272 34.755 1.00 74.41 H new ATOM 560 N ILE A 36 -1.334 -20.088 34.743 1.00 71.10 N ATOM 561 CA ILE A 36 -2.191 -19.113 34.076 1.00 51.45 C ATOM 562 C ILE A 36 -1.342 -17.961 33.513 1.00 51.43 C ATOM 563 O ILE A 36 -0.509 -17.388 34.219 1.00 42.25 O ATOM 564 CB ILE A 36 -3.263 -18.549 35.045 1.00 41.14 C ATOM 565 CG1 ILE A 36 -4.140 -19.687 35.605 1.00 50.13 C ATOM 566 CG2 ILE A 36 -4.125 -17.490 34.353 1.00 2.34 C ATOM 567 CD1 ILE A 36 -4.875 -20.483 34.544 1.00 41.12 C ATOM 0 H ILE A 36 -1.210 -19.923 35.742 1.00 71.10 H new ATOM 0 HA ILE A 36 -2.703 -19.621 33.259 1.00 51.45 H new ATOM 0 HB ILE A 36 -2.748 -18.070 35.878 1.00 41.14 H new ATOM 0 HG12 ILE A 36 -3.511 -20.365 36.182 1.00 50.13 H new ATOM 0 HG13 ILE A 36 -4.869 -19.263 36.296 1.00 50.13 H new ATOM 0 HG21 ILE A 36 -4.868 -17.111 35.054 1.00 2.34 H new ATOM 0 HG22 ILE A 36 -3.492 -16.669 34.016 1.00 2.34 H new ATOM 0 HG23 ILE A 36 -4.629 -17.935 33.495 1.00 2.34 H new ATOM 0 HD11 ILE A 36 -5.469 -21.263 35.021 1.00 41.12 H new ATOM 0 HD12 ILE A 36 -5.532 -19.820 33.982 1.00 41.12 H new ATOM 0 HD13 ILE A 36 -4.153 -20.939 33.866 1.00 41.12 H new ATOM 579 N VAL A 37 -1.547 -17.642 32.238 1.00 33.31 N ATOM 580 CA VAL A 37 -0.786 -16.584 31.566 1.00 74.53 C ATOM 581 C VAL A 37 -1.005 -15.215 32.236 1.00 30.15 C ATOM 582 O VAL A 37 -2.139 -14.826 32.514 1.00 72.12 O ATOM 583 CB VAL A 37 -1.169 -16.499 30.068 1.00 74.33 C ATOM 584 CG1 VAL A 37 -0.378 -15.403 29.362 1.00 53.52 C ATOM 585 CG2 VAL A 37 -0.955 -17.848 29.381 1.00 0.04 C ATOM 0 H VAL A 37 -2.237 -18.102 31.644 1.00 33.31 H new ATOM 0 HA VAL A 37 0.269 -16.842 31.652 1.00 74.53 H new ATOM 0 HB VAL A 37 -2.227 -16.244 30.004 1.00 74.33 H new ATOM 0 HG11 VAL A 37 -0.667 -15.365 28.312 1.00 53.52 H new ATOM 0 HG12 VAL A 37 -0.589 -14.442 29.831 1.00 53.52 H new ATOM 0 HG13 VAL A 37 0.688 -15.617 29.438 1.00 53.52 H new ATOM 0 HG21 VAL A 37 -1.230 -17.768 28.329 1.00 0.04 H new ATOM 0 HG22 VAL A 37 0.093 -18.135 29.462 1.00 0.04 H new ATOM 0 HG23 VAL A 37 -1.576 -18.604 29.862 1.00 0.04 H new ATOM 595 N SER A 38 0.090 -14.499 32.493 1.00 2.20 N ATOM 596 CA SER A 38 0.040 -13.197 33.184 1.00 53.33 C ATOM 597 C SER A 38 -0.787 -12.149 32.416 1.00 5.42 C ATOM 598 O SER A 38 -1.132 -12.342 31.251 1.00 41.41 O ATOM 599 CB SER A 38 1.460 -12.660 33.411 1.00 21.31 C ATOM 600 OG SER A 38 2.234 -13.550 34.208 1.00 45.33 O ATOM 0 H SER A 38 1.031 -14.796 32.234 1.00 2.20 H new ATOM 0 HA SER A 38 -0.453 -13.369 34.141 1.00 53.33 H new ATOM 0 HB2 SER A 38 1.951 -12.510 32.450 1.00 21.31 H new ATOM 0 HB3 SER A 38 1.408 -11.686 33.898 1.00 21.31 H new ATOM 0 HG SER A 38 2.805 -14.096 33.628 1.00 45.33 H new ATOM 606 N THR A 39 -1.066 -11.023 33.075 1.00 75.50 N ATOM 607 CA THR A 39 -1.943 -9.976 32.522 1.00 75.23 C ATOM 608 C THR A 39 -1.441 -9.436 31.170 1.00 51.30 C ATOM 609 O THR A 39 -2.155 -9.494 30.168 1.00 11.13 O ATOM 610 CB THR A 39 -2.086 -8.793 33.512 1.00 2.22 C ATOM 611 OG1 THR A 39 -2.511 -9.271 34.800 1.00 41.30 O ATOM 612 CG2 THR A 39 -3.089 -7.765 33.006 1.00 1.54 C ATOM 0 H THR A 39 -0.696 -10.807 34.001 1.00 75.50 H new ATOM 0 HA THR A 39 -2.912 -10.448 32.362 1.00 75.23 H new ATOM 0 HB THR A 39 -1.110 -8.316 33.598 1.00 2.22 H new ATOM 0 HG1 THR A 39 -2.596 -8.515 35.418 1.00 41.30 H new ATOM 0 HG21 THR A 39 -3.166 -6.948 33.723 1.00 1.54 H new ATOM 0 HG22 THR A 39 -2.755 -7.374 32.045 1.00 1.54 H new ATOM 0 HG23 THR A 39 -4.065 -8.236 32.887 1.00 1.54 H new ATOM 620 N VAL A 40 -0.210 -8.915 31.144 1.00 63.44 N ATOM 621 CA VAL A 40 0.364 -8.327 29.922 1.00 54.14 C ATOM 622 C VAL A 40 0.419 -9.345 28.768 1.00 24.45 C ATOM 623 O VAL A 40 0.000 -9.054 27.641 1.00 44.52 O ATOM 624 CB VAL A 40 1.787 -7.767 30.182 1.00 14.10 C ATOM 625 CG1 VAL A 40 2.385 -7.173 28.906 1.00 12.02 C ATOM 626 CG2 VAL A 40 1.760 -6.728 31.303 1.00 34.24 C ATOM 0 H VAL A 40 0.410 -8.887 31.953 1.00 63.44 H new ATOM 0 HA VAL A 40 -0.295 -7.509 29.632 1.00 54.14 H new ATOM 0 HB VAL A 40 2.423 -8.594 30.496 1.00 14.10 H new ATOM 0 HG11 VAL A 40 3.383 -6.788 29.117 1.00 12.02 H new ATOM 0 HG12 VAL A 40 2.449 -7.946 28.140 1.00 12.02 H new ATOM 0 HG13 VAL A 40 1.750 -6.361 28.550 1.00 12.02 H new ATOM 0 HG21 VAL A 40 2.767 -6.347 31.470 1.00 34.24 H new ATOM 0 HG22 VAL A 40 1.103 -5.905 31.021 1.00 34.24 H new ATOM 0 HG23 VAL A 40 1.390 -7.190 32.218 1.00 34.24 H new ATOM 636 N ASP A 41 0.934 -10.538 29.062 1.00 12.44 N ATOM 637 CA ASP A 41 1.017 -11.621 28.075 1.00 52.03 C ATOM 638 C ASP A 41 -0.386 -12.037 27.592 1.00 74.23 C ATOM 639 O ASP A 41 -0.594 -12.322 26.412 1.00 74.21 O ATOM 640 CB ASP A 41 1.739 -12.831 28.682 1.00 15.11 C ATOM 641 CG ASP A 41 3.049 -12.456 29.349 1.00 2.12 C ATOM 642 OD1 ASP A 41 3.010 -11.962 30.496 1.00 72.12 O ATOM 643 OD2 ASP A 41 4.123 -12.668 28.750 1.00 62.41 O ATOM 0 H ASP A 41 1.303 -10.783 29.981 1.00 12.44 H new ATOM 0 HA ASP A 41 1.581 -11.256 27.217 1.00 52.03 H new ATOM 0 HB2 ASP A 41 1.087 -13.309 29.413 1.00 15.11 H new ATOM 0 HB3 ASP A 41 1.931 -13.565 27.899 1.00 15.11 H new ATOM 648 N GLY A 42 -1.343 -12.065 28.521 1.00 51.13 N ATOM 649 CA GLY A 42 -2.723 -12.384 28.179 1.00 3.52 C ATOM 650 C GLY A 42 -3.334 -11.378 27.209 1.00 2.54 C ATOM 651 O GLY A 42 -3.916 -11.762 26.196 1.00 1.22 O ATOM 0 H GLY A 42 -1.186 -11.871 29.510 1.00 51.13 H new ATOM 0 HA2 GLY A 42 -2.763 -13.380 27.737 1.00 3.52 H new ATOM 0 HA3 GLY A 42 -3.321 -12.415 29.090 1.00 3.52 H new ATOM 655 N ALA A 43 -3.188 -10.085 27.515 1.00 72.35 N ATOM 656 CA ALA A 43 -3.667 -9.014 26.629 1.00 21.21 C ATOM 657 C ALA A 43 -3.098 -9.163 25.206 1.00 11.13 C ATOM 658 O ALA A 43 -3.782 -8.885 24.216 1.00 4.12 O ATOM 659 CB ALA A 43 -3.298 -7.652 27.211 1.00 61.53 C ATOM 0 H ALA A 43 -2.742 -9.752 28.370 1.00 72.35 H new ATOM 0 HA ALA A 43 -4.752 -9.092 26.560 1.00 21.21 H new ATOM 0 HB1 ALA A 43 -3.656 -6.864 26.549 1.00 61.53 H new ATOM 0 HB2 ALA A 43 -3.759 -7.539 28.192 1.00 61.53 H new ATOM 0 HB3 ALA A 43 -2.215 -7.579 27.308 1.00 61.53 H new ATOM 665 N PHE A 44 -1.840 -9.596 25.121 1.00 3.10 N ATOM 666 CA PHE A 44 -1.208 -9.913 23.836 1.00 41.04 C ATOM 667 C PHE A 44 -1.959 -11.053 23.131 1.00 41.40 C ATOM 668 O PHE A 44 -2.311 -10.953 21.952 1.00 64.22 O ATOM 669 CB PHE A 44 0.264 -10.303 24.060 1.00 70.11 C ATOM 670 CG PHE A 44 0.992 -10.707 22.801 1.00 14.45 C ATOM 671 CD1 PHE A 44 1.653 -9.763 22.032 1.00 21.54 C ATOM 672 CD2 PHE A 44 1.013 -12.034 22.388 1.00 62.45 C ATOM 673 CE1 PHE A 44 2.320 -10.132 20.879 1.00 52.30 C ATOM 674 CE2 PHE A 44 1.676 -12.407 21.236 1.00 40.34 C ATOM 675 CZ PHE A 44 2.331 -11.455 20.480 1.00 50.52 C ATOM 0 H PHE A 44 -1.234 -9.736 25.930 1.00 3.10 H new ATOM 0 HA PHE A 44 -1.250 -9.030 23.198 1.00 41.04 H new ATOM 0 HB2 PHE A 44 0.787 -9.462 24.515 1.00 70.11 H new ATOM 0 HB3 PHE A 44 0.306 -11.127 24.772 1.00 70.11 H new ATOM 0 HD1 PHE A 44 1.647 -8.727 22.337 1.00 21.54 H new ATOM 0 HD2 PHE A 44 0.504 -12.783 22.976 1.00 62.45 H new ATOM 0 HE1 PHE A 44 2.833 -9.386 20.290 1.00 52.30 H new ATOM 0 HE2 PHE A 44 1.682 -13.442 20.927 1.00 40.34 H new ATOM 0 HZ PHE A 44 2.851 -11.744 19.579 1.00 50.52 H new ATOM 685 N LEU A 45 -2.206 -12.130 23.875 1.00 41.54 N ATOM 686 CA LEU A 45 -2.928 -13.297 23.356 1.00 43.04 C ATOM 687 C LEU A 45 -4.337 -12.929 22.867 1.00 62.40 C ATOM 688 O LEU A 45 -4.804 -13.457 21.864 1.00 42.11 O ATOM 689 CB LEU A 45 -3.018 -14.387 24.433 1.00 62.34 C ATOM 690 CG LEU A 45 -1.684 -15.053 24.803 1.00 24.15 C ATOM 691 CD1 LEU A 45 -1.861 -15.993 25.988 1.00 1.14 C ATOM 692 CD2 LEU A 45 -1.110 -15.799 23.601 1.00 74.42 C ATOM 0 H LEU A 45 -1.915 -12.221 24.848 1.00 41.54 H new ATOM 0 HA LEU A 45 -2.367 -13.674 22.501 1.00 43.04 H new ATOM 0 HB2 LEU A 45 -3.450 -13.951 25.334 1.00 62.34 H new ATOM 0 HB3 LEU A 45 -3.708 -15.158 24.090 1.00 62.34 H new ATOM 0 HG LEU A 45 -0.979 -14.274 25.093 1.00 24.15 H new ATOM 0 HD11 LEU A 45 -0.904 -16.454 26.233 1.00 1.14 H new ATOM 0 HD12 LEU A 45 -2.223 -15.430 26.848 1.00 1.14 H new ATOM 0 HD13 LEU A 45 -2.582 -16.769 25.732 1.00 1.14 H new ATOM 0 HD21 LEU A 45 -0.165 -16.265 23.880 1.00 74.42 H new ATOM 0 HD22 LEU A 45 -1.813 -16.568 23.280 1.00 74.42 H new ATOM 0 HD23 LEU A 45 -0.942 -15.097 22.784 1.00 74.42 H new ATOM 704 N VAL A 46 -5.008 -12.024 23.583 1.00 1.11 N ATOM 705 CA VAL A 46 -6.346 -11.566 23.190 1.00 13.10 C ATOM 706 C VAL A 46 -6.329 -10.942 21.780 1.00 22.30 C ATOM 707 O VAL A 46 -7.185 -11.244 20.948 1.00 11.35 O ATOM 708 CB VAL A 46 -6.929 -10.545 24.206 1.00 31.22 C ATOM 709 CG1 VAL A 46 -8.318 -10.078 23.769 1.00 1.24 C ATOM 710 CG2 VAL A 46 -6.979 -11.141 25.614 1.00 52.15 C ATOM 0 H VAL A 46 -4.650 -11.594 24.436 1.00 1.11 H new ATOM 0 HA VAL A 46 -6.989 -12.446 23.182 1.00 13.10 H new ATOM 0 HB VAL A 46 -6.268 -9.679 24.228 1.00 31.22 H new ATOM 0 HG11 VAL A 46 -8.707 -9.364 24.495 1.00 1.24 H new ATOM 0 HG12 VAL A 46 -8.251 -9.601 22.791 1.00 1.24 H new ATOM 0 HG13 VAL A 46 -8.988 -10.936 23.709 1.00 1.24 H new ATOM 0 HG21 VAL A 46 -7.391 -10.406 26.306 1.00 52.15 H new ATOM 0 HG22 VAL A 46 -7.610 -12.030 25.611 1.00 52.15 H new ATOM 0 HG23 VAL A 46 -5.972 -11.412 25.930 1.00 52.15 H new ATOM 720 N GLU A 47 -5.349 -10.076 21.515 1.00 73.52 N ATOM 721 CA GLU A 47 -5.167 -9.504 20.174 1.00 32.43 C ATOM 722 C GLU A 47 -4.843 -10.601 19.146 1.00 33.04 C ATOM 723 O GLU A 47 -5.505 -10.715 18.114 1.00 32.14 O ATOM 724 CB GLU A 47 -4.050 -8.445 20.184 1.00 72.41 C ATOM 725 CG GLU A 47 -4.459 -7.103 20.791 1.00 53.31 C ATOM 726 CD GLU A 47 -5.454 -6.340 19.923 1.00 3.43 C ATOM 727 OE1 GLU A 47 -5.013 -5.587 19.025 1.00 31.10 O ATOM 728 OE2 GLU A 47 -6.678 -6.496 20.126 1.00 34.44 O ATOM 0 H GLU A 47 -4.671 -9.755 22.206 1.00 73.52 H new ATOM 0 HA GLU A 47 -6.103 -9.026 19.885 1.00 32.43 H new ATOM 0 HB2 GLU A 47 -3.199 -8.837 20.740 1.00 72.41 H new ATOM 0 HB3 GLU A 47 -3.713 -8.280 19.161 1.00 72.41 H new ATOM 0 HG2 GLU A 47 -4.897 -7.273 21.774 1.00 53.31 H new ATOM 0 HG3 GLU A 47 -3.570 -6.491 20.940 1.00 53.31 H new ATOM 735 N ALA A 48 -3.831 -11.417 19.445 1.00 64.24 N ATOM 736 CA ALA A 48 -3.432 -12.526 18.565 1.00 61.32 C ATOM 737 C ALA A 48 -4.614 -13.459 18.259 1.00 33.04 C ATOM 738 O ALA A 48 -4.713 -14.023 17.170 1.00 42.14 O ATOM 739 CB ALA A 48 -2.288 -13.309 19.201 1.00 3.32 C ATOM 0 H ALA A 48 -3.269 -11.333 20.292 1.00 64.24 H new ATOM 0 HA ALA A 48 -3.095 -12.101 17.619 1.00 61.32 H new ATOM 0 HB1 ALA A 48 -1.998 -14.129 18.543 1.00 3.32 H new ATOM 0 HB2 ALA A 48 -1.435 -12.648 19.354 1.00 3.32 H new ATOM 0 HB3 ALA A 48 -2.612 -13.711 20.161 1.00 3.32 H new ATOM 745 N LEU A 49 -5.504 -13.605 19.232 1.00 62.53 N ATOM 746 CA LEU A 49 -6.711 -14.419 19.085 1.00 53.11 C ATOM 747 C LEU A 49 -7.750 -13.715 18.198 1.00 12.42 C ATOM 748 O LEU A 49 -8.294 -14.307 17.264 1.00 13.41 O ATOM 749 CB LEU A 49 -7.299 -14.702 20.473 1.00 1.25 C ATOM 750 CG LEU A 49 -8.632 -15.466 20.500 1.00 11.43 C ATOM 751 CD1 LEU A 49 -8.486 -16.845 19.862 1.00 45.32 C ATOM 752 CD2 LEU A 49 -9.144 -15.578 21.934 1.00 65.33 C ATOM 0 H LEU A 49 -5.413 -13.164 20.147 1.00 62.53 H new ATOM 0 HA LEU A 49 -6.445 -15.358 18.600 1.00 53.11 H new ATOM 0 HB2 LEU A 49 -6.566 -15.270 21.047 1.00 1.25 H new ATOM 0 HB3 LEU A 49 -7.438 -13.751 20.987 1.00 1.25 H new ATOM 0 HG LEU A 49 -9.362 -14.908 19.914 1.00 11.43 H new ATOM 0 HD11 LEU A 49 -9.444 -17.364 19.894 1.00 45.32 H new ATOM 0 HD12 LEU A 49 -8.168 -16.734 18.825 1.00 45.32 H new ATOM 0 HD13 LEU A 49 -7.742 -17.423 20.410 1.00 45.32 H new ATOM 0 HD21 LEU A 49 -10.089 -16.121 21.942 1.00 65.33 H new ATOM 0 HD22 LEU A 49 -8.413 -16.113 22.541 1.00 65.33 H new ATOM 0 HD23 LEU A 49 -9.296 -14.580 22.345 1.00 65.33 H new ATOM 764 N LYS A 50 -8.004 -12.438 18.485 1.00 31.44 N ATOM 765 CA LYS A 50 -8.992 -11.649 17.735 1.00 34.13 C ATOM 766 C LYS A 50 -8.568 -11.403 16.275 1.00 61.21 C ATOM 767 O LYS A 50 -9.347 -10.876 15.481 1.00 45.11 O ATOM 768 CB LYS A 50 -9.253 -10.310 18.441 1.00 71.21 C ATOM 769 CG LYS A 50 -10.109 -10.437 19.698 1.00 43.45 C ATOM 770 CD LYS A 50 -10.332 -9.084 20.373 1.00 63.31 C ATOM 771 CE LYS A 50 -11.392 -9.163 21.467 1.00 41.24 C ATOM 772 NZ LYS A 50 -12.745 -9.440 20.908 1.00 43.11 N ATOM 0 H LYS A 50 -7.540 -11.923 19.233 1.00 31.44 H new ATOM 0 HA LYS A 50 -9.911 -12.234 17.709 1.00 34.13 H new ATOM 0 HB2 LYS A 50 -8.298 -9.857 18.707 1.00 71.21 H new ATOM 0 HB3 LYS A 50 -9.745 -9.631 17.744 1.00 71.21 H new ATOM 0 HG2 LYS A 50 -11.072 -10.877 19.439 1.00 43.45 H new ATOM 0 HG3 LYS A 50 -9.626 -11.118 20.399 1.00 43.45 H new ATOM 0 HD2 LYS A 50 -9.393 -8.733 20.801 1.00 63.31 H new ATOM 0 HD3 LYS A 50 -10.635 -8.351 19.626 1.00 63.31 H new ATOM 0 HE2 LYS A 50 -11.125 -9.946 22.176 1.00 41.24 H new ATOM 0 HE3 LYS A 50 -11.413 -8.225 22.021 1.00 41.24 H new ATOM 0 HZ1 LYS A 50 -13.468 -9.205 21.617 1.00 43.11 H new ATOM 0 HZ2 LYS A 50 -12.894 -8.861 20.057 1.00 43.11 H new ATOM 0 HZ3 LYS A 50 -12.818 -10.447 20.659 1.00 43.11 H new ATOM 786 N ARG A 51 -7.337 -11.773 15.924 1.00 14.22 N ATOM 787 CA ARG A 51 -6.878 -11.694 14.529 1.00 64.43 C ATOM 788 C ARG A 51 -7.380 -12.894 13.705 1.00 44.43 C ATOM 789 O ARG A 51 -7.172 -12.962 12.496 1.00 75.23 O ATOM 790 CB ARG A 51 -5.346 -11.612 14.464 1.00 72.24 C ATOM 791 CG ARG A 51 -4.771 -10.380 15.154 1.00 64.34 C ATOM 792 CD ARG A 51 -3.259 -10.274 14.976 1.00 43.14 C ATOM 793 NE ARG A 51 -2.878 -10.084 13.574 1.00 13.40 N ATOM 794 CZ ARG A 51 -2.677 -8.915 13.021 1.00 32.51 C ATOM 795 NH1 ARG A 51 -2.832 -7.830 13.706 1.00 53.10 N ATOM 796 NH2 ARG A 51 -2.327 -8.830 11.778 1.00 23.50 N ATOM 0 H ARG A 51 -6.640 -12.129 16.578 1.00 14.22 H new ATOM 0 HA ARG A 51 -7.297 -10.785 14.097 1.00 64.43 H new ATOM 0 HB2 ARG A 51 -4.923 -12.506 14.923 1.00 72.24 H new ATOM 0 HB3 ARG A 51 -5.034 -11.612 13.419 1.00 72.24 H new ATOM 0 HG2 ARG A 51 -5.246 -9.485 14.752 1.00 64.34 H new ATOM 0 HG3 ARG A 51 -5.009 -10.417 16.217 1.00 64.34 H new ATOM 0 HD2 ARG A 51 -2.883 -9.440 15.569 1.00 43.14 H new ATOM 0 HD3 ARG A 51 -2.786 -11.178 15.360 1.00 43.14 H new ATOM 0 HE ARG A 51 -2.762 -10.914 12.993 1.00 13.40 H new ATOM 0 HH11 ARG A 51 -3.113 -7.881 14.685 1.00 53.10 H new ATOM 0 HH12 ARG A 51 -2.673 -6.923 13.267 1.00 53.10 H new ATOM 0 HH21 ARG A 51 -2.206 -9.677 11.223 1.00 23.50 H new ATOM 0 HH22 ARG A 51 -2.172 -7.916 11.353 1.00 23.50 H new ATOM 810 N HIS A 52 -8.036 -13.842 14.374 1.00 4.43 N ATOM 811 CA HIS A 52 -8.626 -15.006 13.704 1.00 42.44 C ATOM 812 C HIS A 52 -10.115 -14.770 13.401 1.00 25.04 C ATOM 813 O HIS A 52 -10.847 -14.237 14.238 1.00 72.42 O ATOM 814 CB HIS A 52 -8.483 -16.256 14.583 1.00 53.43 C ATOM 815 CG HIS A 52 -7.063 -16.666 14.835 1.00 0.43 C ATOM 816 ND1 HIS A 52 -6.524 -17.842 14.361 1.00 24.24 N ATOM 817 CD2 HIS A 52 -6.077 -16.063 15.535 1.00 41.43 C ATOM 818 CE1 HIS A 52 -5.274 -17.948 14.761 1.00 75.15 C ATOM 819 NE2 HIS A 52 -4.975 -16.880 15.474 1.00 22.51 N ATOM 0 H HIS A 52 -8.174 -13.828 15.385 1.00 4.43 H new ATOM 0 HA HIS A 52 -8.093 -15.155 12.765 1.00 42.44 H new ATOM 0 HB2 HIS A 52 -8.973 -16.073 15.540 1.00 53.43 H new ATOM 0 HB3 HIS A 52 -9.010 -17.083 14.108 1.00 53.43 H new ATOM 0 HD2 HIS A 52 -6.143 -15.115 16.047 1.00 41.43 H new ATOM 0 HE1 HIS A 52 -4.608 -18.769 14.542 1.00 75.15 H new ATOM 0 HE2 HIS A 52 -4.072 -16.691 15.909 1.00 22.51 H new ATOM 828 N PRO A 53 -10.594 -15.169 12.206 1.00 44.34 N ATOM 829 CA PRO A 53 -12.027 -15.079 11.861 1.00 10.44 C ATOM 830 C PRO A 53 -12.890 -16.001 12.742 1.00 20.12 C ATOM 831 O PRO A 53 -14.086 -15.770 12.929 1.00 1.31 O ATOM 832 CB PRO A 53 -12.070 -15.519 10.387 1.00 43.43 C ATOM 833 CG PRO A 53 -10.832 -16.331 10.192 1.00 61.41 C ATOM 834 CD PRO A 53 -9.791 -15.725 11.099 1.00 31.11 C ATOM 0 HA PRO A 53 -12.431 -14.079 12.022 1.00 10.44 H new ATOM 0 HB2 PRO A 53 -12.964 -16.105 10.176 1.00 43.43 H new ATOM 0 HB3 PRO A 53 -12.087 -14.658 9.718 1.00 43.43 H new ATOM 0 HG2 PRO A 53 -11.008 -17.377 10.444 1.00 61.41 H new ATOM 0 HG3 PRO A 53 -10.507 -16.304 9.152 1.00 61.41 H new ATOM 0 HD2 PRO A 53 -9.080 -16.472 11.452 1.00 31.11 H new ATOM 0 HD3 PRO A 53 -9.215 -14.952 10.591 1.00 31.11 H new ATOM 842 N ASP A 54 -12.263 -17.041 13.291 1.00 63.23 N ATOM 843 CA ASP A 54 -12.925 -17.989 14.195 1.00 20.14 C ATOM 844 C ASP A 54 -12.924 -17.471 15.652 1.00 42.31 C ATOM 845 O ASP A 54 -12.994 -18.254 16.603 1.00 63.11 O ATOM 846 CB ASP A 54 -12.197 -19.337 14.120 1.00 4.22 C ATOM 847 CG ASP A 54 -11.965 -19.790 12.689 1.00 43.40 C ATOM 848 OD1 ASP A 54 -11.027 -19.272 12.046 1.00 61.23 O ATOM 849 OD2 ASP A 54 -12.712 -20.660 12.197 1.00 42.34 O ATOM 0 H ASP A 54 -11.280 -17.253 13.123 1.00 63.23 H new ATOM 0 HA ASP A 54 -13.963 -18.103 13.884 1.00 20.14 H new ATOM 0 HB2 ASP A 54 -11.239 -19.259 14.633 1.00 4.22 H new ATOM 0 HB3 ASP A 54 -12.780 -20.092 14.647 1.00 4.22 H new ATOM 854 N ALA A 55 -12.861 -16.146 15.811 1.00 71.41 N ATOM 855 CA ALA A 55 -12.750 -15.509 17.130 1.00 23.45 C ATOM 856 C ALA A 55 -13.838 -15.973 18.114 1.00 24.31 C ATOM 857 O ALA A 55 -13.532 -16.605 19.128 1.00 15.50 O ATOM 858 CB ALA A 55 -12.782 -13.992 16.976 1.00 52.22 C ATOM 0 H ALA A 55 -12.885 -15.486 15.034 1.00 71.41 H new ATOM 0 HA ALA A 55 -11.796 -15.817 17.557 1.00 23.45 H new ATOM 0 HB1 ALA A 55 -12.699 -13.525 17.957 1.00 52.22 H new ATOM 0 HB2 ALA A 55 -11.949 -13.672 16.350 1.00 52.22 H new ATOM 0 HB3 ALA A 55 -13.721 -13.693 16.510 1.00 52.22 H new ATOM 864 N THR A 56 -15.107 -15.671 17.813 1.00 53.04 N ATOM 865 CA THR A 56 -16.225 -16.018 18.718 1.00 32.02 C ATOM 866 C THR A 56 -16.262 -17.518 19.051 1.00 62.34 C ATOM 867 O THR A 56 -16.664 -17.907 20.149 1.00 45.33 O ATOM 868 CB THR A 56 -17.605 -15.607 18.144 1.00 30.32 C ATOM 869 OG1 THR A 56 -18.647 -15.942 19.077 1.00 72.03 O ATOM 870 CG2 THR A 56 -17.884 -16.301 16.817 1.00 53.42 C ATOM 0 H THR A 56 -15.390 -15.191 16.959 1.00 53.04 H new ATOM 0 HA THR A 56 -16.036 -15.451 19.629 1.00 32.02 H new ATOM 0 HB THR A 56 -17.585 -14.530 17.977 1.00 30.32 H new ATOM 0 HG1 THR A 56 -19.515 -15.677 18.707 1.00 72.03 H new ATOM 0 HG21 THR A 56 -18.859 -15.991 16.442 1.00 53.42 H new ATOM 0 HG22 THR A 56 -17.114 -16.028 16.095 1.00 53.42 H new ATOM 0 HG23 THR A 56 -17.878 -17.381 16.963 1.00 53.42 H new ATOM 878 N SER A 57 -15.832 -18.354 18.105 1.00 71.51 N ATOM 879 CA SER A 57 -15.762 -19.809 18.320 1.00 50.31 C ATOM 880 C SER A 57 -14.909 -20.163 19.543 1.00 2.21 C ATOM 881 O SER A 57 -15.183 -21.136 20.248 1.00 44.11 O ATOM 882 CB SER A 57 -15.179 -20.501 17.080 1.00 23.22 C ATOM 883 OG SER A 57 -14.891 -21.870 17.333 1.00 15.32 O ATOM 0 H SER A 57 -15.526 -18.053 17.180 1.00 71.51 H new ATOM 0 HA SER A 57 -16.779 -20.159 18.498 1.00 50.31 H new ATOM 0 HB2 SER A 57 -15.885 -20.424 16.253 1.00 23.22 H new ATOM 0 HB3 SER A 57 -14.268 -19.988 16.770 1.00 23.22 H new ATOM 0 HG SER A 57 -14.691 -22.324 16.488 1.00 15.32 H new ATOM 889 N LYS A 58 -13.873 -19.367 19.792 1.00 51.44 N ATOM 890 CA LYS A 58 -12.945 -19.622 20.901 1.00 54.33 C ATOM 891 C LYS A 58 -13.212 -18.693 22.100 1.00 31.14 C ATOM 892 O LYS A 58 -13.036 -19.086 23.254 1.00 71.50 O ATOM 893 CB LYS A 58 -11.501 -19.448 20.408 1.00 74.51 C ATOM 894 CG LYS A 58 -11.181 -20.281 19.165 1.00 3.14 C ATOM 895 CD LYS A 58 -11.319 -21.780 19.431 1.00 65.53 C ATOM 896 CE LYS A 58 -11.156 -22.605 18.160 1.00 45.04 C ATOM 897 NZ LYS A 58 -12.265 -22.368 17.195 1.00 63.13 N ATOM 0 H LYS A 58 -13.651 -18.537 19.242 1.00 51.44 H new ATOM 0 HA LYS A 58 -13.100 -20.645 21.243 1.00 54.33 H new ATOM 0 HB2 LYS A 58 -11.324 -18.395 20.187 1.00 74.51 H new ATOM 0 HB3 LYS A 58 -10.815 -19.725 21.209 1.00 74.51 H new ATOM 0 HG2 LYS A 58 -11.850 -19.993 18.354 1.00 3.14 H new ATOM 0 HG3 LYS A 58 -10.166 -20.063 18.834 1.00 3.14 H new ATOM 0 HD2 LYS A 58 -10.571 -22.089 20.161 1.00 65.53 H new ATOM 0 HD3 LYS A 58 -12.296 -21.981 19.871 1.00 65.53 H new ATOM 0 HE2 LYS A 58 -10.205 -22.359 17.687 1.00 45.04 H new ATOM 0 HE3 LYS A 58 -11.119 -23.664 18.417 1.00 45.04 H new ATOM 0 HZ1 LYS A 58 -12.370 -23.197 16.576 1.00 63.13 H new ATOM 0 HZ2 LYS A 58 -13.151 -22.211 17.716 1.00 63.13 H new ATOM 0 HZ3 LYS A 58 -12.050 -21.530 16.618 1.00 63.13 H new ATOM 911 N ILE A 59 -13.644 -17.466 21.815 1.00 40.11 N ATOM 912 CA ILE A 59 -13.887 -16.454 22.854 1.00 42.23 C ATOM 913 C ILE A 59 -15.259 -16.628 23.528 1.00 10.21 C ATOM 914 O ILE A 59 -15.370 -16.609 24.756 1.00 71.23 O ATOM 915 CB ILE A 59 -13.814 -15.017 22.265 1.00 22.40 C ATOM 916 CG1 ILE A 59 -12.444 -14.766 21.613 1.00 4.14 C ATOM 917 CG2 ILE A 59 -14.099 -13.970 23.345 1.00 53.21 C ATOM 918 CD1 ILE A 59 -12.306 -13.399 20.966 1.00 14.14 C ATOM 0 H ILE A 59 -13.836 -17.142 20.867 1.00 40.11 H new ATOM 0 HA ILE A 59 -13.104 -16.596 23.599 1.00 42.23 H new ATOM 0 HB ILE A 59 -14.581 -14.927 21.495 1.00 22.40 H new ATOM 0 HG12 ILE A 59 -11.668 -14.878 22.370 1.00 4.14 H new ATOM 0 HG13 ILE A 59 -12.267 -15.533 20.859 1.00 4.14 H new ATOM 0 HG21 ILE A 59 -14.042 -12.973 22.909 1.00 53.21 H new ATOM 0 HG22 ILE A 59 -15.097 -14.131 23.754 1.00 53.21 H new ATOM 0 HG23 ILE A 59 -13.361 -14.060 24.142 1.00 53.21 H new ATOM 0 HD11 ILE A 59 -11.312 -13.302 20.530 1.00 14.14 H new ATOM 0 HD12 ILE A 59 -13.058 -13.289 20.184 1.00 14.14 H new ATOM 0 HD13 ILE A 59 -12.449 -12.624 21.719 1.00 14.14 H new ATOM 930 N GLY A 60 -16.302 -16.791 22.719 1.00 13.04 N ATOM 931 CA GLY A 60 -17.662 -16.771 23.240 1.00 33.35 C ATOM 932 C GLY A 60 -18.083 -15.367 23.683 1.00 51.14 C ATOM 933 O GLY A 60 -17.932 -14.409 22.919 1.00 52.34 O ATOM 0 H GLY A 60 -16.232 -16.937 21.712 1.00 13.04 H new ATOM 0 HA2 GLY A 60 -18.349 -17.132 22.475 1.00 33.35 H new ATOM 0 HA3 GLY A 60 -17.737 -17.456 24.084 1.00 33.35 H new ATOM 937 N PRO A 61 -18.614 -15.206 24.910 1.00 44.13 N ATOM 938 CA PRO A 61 -18.967 -13.881 25.451 1.00 1.23 C ATOM 939 C PRO A 61 -17.730 -13.032 25.803 1.00 13.11 C ATOM 940 O PRO A 61 -17.689 -11.830 25.529 1.00 23.03 O ATOM 941 CB PRO A 61 -19.773 -14.222 26.713 1.00 10.22 C ATOM 942 CG PRO A 61 -19.267 -15.561 27.131 1.00 74.13 C ATOM 943 CD PRO A 61 -18.938 -16.293 25.855 1.00 33.05 C ATOM 0 HA PRO A 61 -19.515 -13.277 24.727 1.00 1.23 H new ATOM 0 HB2 PRO A 61 -19.619 -13.478 27.495 1.00 10.22 H new ATOM 0 HB3 PRO A 61 -20.843 -14.249 26.505 1.00 10.22 H new ATOM 0 HG2 PRO A 61 -18.386 -15.465 27.765 1.00 74.13 H new ATOM 0 HG3 PRO A 61 -20.018 -16.100 27.708 1.00 74.13 H new ATOM 0 HD2 PRO A 61 -18.097 -16.974 25.988 1.00 33.05 H new ATOM 0 HD3 PRO A 61 -19.780 -16.891 25.506 1.00 33.05 H new ATOM 951 N GLY A 62 -16.720 -13.663 26.404 1.00 51.14 N ATOM 952 CA GLY A 62 -15.515 -12.944 26.800 1.00 33.40 C ATOM 953 C GLY A 62 -14.414 -13.858 27.335 1.00 33.40 C ATOM 954 O GLY A 62 -14.680 -14.982 27.770 1.00 0.05 O ATOM 0 H GLY A 62 -16.714 -14.659 26.624 1.00 51.14 H new ATOM 0 HA2 GLY A 62 -15.133 -12.390 25.943 1.00 33.40 H new ATOM 0 HA3 GLY A 62 -15.772 -12.211 27.564 1.00 33.40 H new ATOM 958 N VAL A 63 -13.174 -13.379 27.301 1.00 43.51 N ATOM 959 CA VAL A 63 -12.029 -14.147 27.803 1.00 45.22 C ATOM 960 C VAL A 63 -11.704 -13.775 29.260 1.00 13.41 C ATOM 961 O VAL A 63 -11.523 -12.601 29.582 1.00 30.05 O ATOM 962 CB VAL A 63 -10.773 -13.909 26.926 1.00 41.01 C ATOM 963 CG1 VAL A 63 -9.575 -14.697 27.453 1.00 54.04 C ATOM 964 CG2 VAL A 63 -11.055 -14.259 25.465 1.00 55.21 C ATOM 0 H VAL A 63 -12.932 -12.460 26.931 1.00 43.51 H new ATOM 0 HA VAL A 63 -12.305 -15.200 27.758 1.00 45.22 H new ATOM 0 HB VAL A 63 -10.525 -12.849 26.979 1.00 41.01 H new ATOM 0 HG11 VAL A 63 -8.709 -14.510 26.818 1.00 54.04 H new ATOM 0 HG12 VAL A 63 -9.352 -14.382 28.472 1.00 54.04 H new ATOM 0 HG13 VAL A 63 -9.808 -15.762 27.445 1.00 54.04 H new ATOM 0 HG21 VAL A 63 -10.159 -14.084 24.869 1.00 55.21 H new ATOM 0 HG22 VAL A 63 -11.341 -15.308 25.391 1.00 55.21 H new ATOM 0 HG23 VAL A 63 -11.867 -13.635 25.091 1.00 55.21 H new ATOM 974 N ARG A 64 -11.628 -14.775 30.140 1.00 1.03 N ATOM 975 CA ARG A 64 -11.309 -14.529 31.554 1.00 61.41 C ATOM 976 C ARG A 64 -9.794 -14.675 31.793 1.00 55.03 C ATOM 977 O ARG A 64 -9.127 -13.729 32.224 1.00 20.45 O ATOM 978 CB ARG A 64 -12.110 -15.494 32.456 1.00 22.24 C ATOM 979 CG ARG A 64 -12.416 -14.954 33.858 1.00 5.12 C ATOM 980 CD ARG A 64 -11.180 -14.895 34.756 1.00 4.41 C ATOM 981 NE ARG A 64 -11.476 -14.301 36.063 1.00 50.45 N ATOM 982 CZ ARG A 64 -11.653 -14.986 37.164 1.00 44.51 C ATOM 983 NH1 ARG A 64 -11.653 -16.281 37.147 1.00 32.04 N ATOM 984 NH2 ARG A 64 -11.853 -14.374 38.286 1.00 20.11 N ATOM 0 H ARG A 64 -11.781 -15.756 29.905 1.00 1.03 H new ATOM 0 HA ARG A 64 -11.594 -13.509 31.810 1.00 61.41 H new ATOM 0 HB2 ARG A 64 -13.051 -15.736 31.961 1.00 22.24 H new ATOM 0 HB3 ARG A 64 -11.553 -16.426 32.554 1.00 22.24 H new ATOM 0 HG2 ARG A 64 -12.844 -13.955 33.772 1.00 5.12 H new ATOM 0 HG3 ARG A 64 -13.171 -15.585 34.328 1.00 5.12 H new ATOM 0 HD2 ARG A 64 -10.786 -15.902 34.897 1.00 4.41 H new ATOM 0 HD3 ARG A 64 -10.401 -14.314 34.262 1.00 4.41 H new ATOM 0 HE ARG A 64 -11.549 -13.285 36.118 1.00 50.45 H new ATOM 0 HH11 ARG A 64 -11.514 -16.779 36.268 1.00 32.04 H new ATOM 0 HH12 ARG A 64 -11.792 -16.802 38.013 1.00 32.04 H new ATOM 0 HH21 ARG A 64 -11.873 -13.355 38.314 1.00 20.11 H new ATOM 0 HH22 ARG A 64 -11.991 -14.911 39.142 1.00 20.11 H new ATOM 998 N ASN A 65 -9.249 -15.856 31.494 1.00 15.20 N ATOM 999 CA ASN A 65 -7.811 -16.109 31.661 1.00 31.51 C ATOM 1000 C ASN A 65 -7.302 -17.194 30.698 1.00 15.34 C ATOM 1001 O ASN A 65 -8.050 -18.078 30.283 1.00 53.51 O ATOM 1002 CB ASN A 65 -7.505 -16.510 33.109 1.00 22.31 C ATOM 1003 CG ASN A 65 -8.256 -17.756 33.544 1.00 12.44 C ATOM 1004 OD1 ASN A 65 -9.384 -17.681 34.015 1.00 23.00 O ATOM 1005 ND2 ASN A 65 -7.640 -18.913 33.395 1.00 21.24 N ATOM 0 H ASN A 65 -9.777 -16.652 31.136 1.00 15.20 H new ATOM 0 HA ASN A 65 -7.289 -15.182 31.423 1.00 31.51 H new ATOM 0 HB2 ASN A 65 -6.434 -16.681 33.216 1.00 22.31 H new ATOM 0 HB3 ASN A 65 -7.764 -15.685 33.772 1.00 22.31 H new ATOM 0 HD21 ASN A 65 -8.103 -19.777 33.675 1.00 21.24 H new ATOM 0 HD22 ASN A 65 -6.700 -18.943 32.999 1.00 21.24 H new ATOM 1012 N PHE A 66 -6.021 -17.115 30.346 1.00 31.51 N ATOM 1013 CA PHE A 66 -5.387 -18.124 29.492 1.00 2.00 C ATOM 1014 C PHE A 66 -4.592 -19.136 30.331 1.00 55.10 C ATOM 1015 O PHE A 66 -3.978 -18.779 31.337 1.00 22.30 O ATOM 1016 CB PHE A 66 -4.451 -17.459 28.475 1.00 43.04 C ATOM 1017 CG PHE A 66 -5.151 -16.594 27.453 1.00 10.43 C ATOM 1018 CD1 PHE A 66 -5.457 -15.267 27.731 1.00 12.31 C ATOM 1019 CD2 PHE A 66 -5.493 -17.106 26.207 1.00 64.21 C ATOM 1020 CE1 PHE A 66 -6.088 -14.475 26.790 1.00 54.20 C ATOM 1021 CE2 PHE A 66 -6.125 -16.316 25.265 1.00 11.44 C ATOM 1022 CZ PHE A 66 -6.422 -14.999 25.557 1.00 11.30 C ATOM 0 H PHE A 66 -5.398 -16.362 30.638 1.00 31.51 H new ATOM 0 HA PHE A 66 -6.179 -18.652 28.961 1.00 2.00 H new ATOM 0 HB2 PHE A 66 -3.725 -16.849 29.013 1.00 43.04 H new ATOM 0 HB3 PHE A 66 -3.891 -18.235 27.953 1.00 43.04 H new ATOM 0 HD1 PHE A 66 -5.199 -14.850 28.693 1.00 12.31 H new ATOM 0 HD2 PHE A 66 -5.262 -18.134 25.972 1.00 64.21 H new ATOM 0 HE1 PHE A 66 -6.320 -13.445 27.019 1.00 54.20 H new ATOM 0 HE2 PHE A 66 -6.386 -16.728 24.302 1.00 11.44 H new ATOM 0 HZ PHE A 66 -6.915 -14.380 24.822 1.00 11.30 H new ATOM 1032 N GLU A 67 -4.601 -20.393 29.907 1.00 74.24 N ATOM 1033 CA GLU A 67 -3.854 -21.458 30.586 1.00 44.21 C ATOM 1034 C GLU A 67 -2.846 -22.115 29.634 1.00 20.11 C ATOM 1035 O GLU A 67 -3.110 -22.273 28.440 1.00 71.12 O ATOM 1036 CB GLU A 67 -4.820 -22.523 31.123 1.00 25.30 C ATOM 1037 CG GLU A 67 -4.128 -23.717 31.780 1.00 55.13 C ATOM 1038 CD GLU A 67 -5.083 -24.865 32.062 1.00 20.50 C ATOM 1039 OE1 GLU A 67 -5.594 -25.464 31.097 1.00 5.02 O ATOM 1040 OE2 GLU A 67 -5.321 -25.186 33.245 1.00 31.05 O ATOM 0 H GLU A 67 -5.121 -20.708 29.088 1.00 74.24 H new ATOM 0 HA GLU A 67 -3.309 -21.009 31.416 1.00 44.21 H new ATOM 0 HB2 GLU A 67 -5.488 -22.059 31.849 1.00 25.30 H new ATOM 0 HB3 GLU A 67 -5.441 -22.883 30.302 1.00 25.30 H new ATOM 0 HG2 GLU A 67 -3.325 -24.068 31.132 1.00 55.13 H new ATOM 0 HG3 GLU A 67 -3.666 -23.396 32.714 1.00 55.13 H new ATOM 1047 N VAL A 68 -1.690 -22.494 30.165 1.00 1.02 N ATOM 1048 CA VAL A 68 -0.684 -23.217 29.384 1.00 40.41 C ATOM 1049 C VAL A 68 -0.714 -24.716 29.710 1.00 21.35 C ATOM 1050 O VAL A 68 -0.397 -25.128 30.826 1.00 54.03 O ATOM 1051 CB VAL A 68 0.737 -22.655 29.634 1.00 3.24 C ATOM 1052 CG1 VAL A 68 1.793 -23.479 28.899 1.00 33.25 C ATOM 1053 CG2 VAL A 68 0.802 -21.190 29.211 1.00 73.13 C ATOM 0 H VAL A 68 -1.422 -22.315 31.133 1.00 1.02 H new ATOM 0 HA VAL A 68 -0.929 -23.077 28.331 1.00 40.41 H new ATOM 0 HB VAL A 68 0.950 -22.722 30.701 1.00 3.24 H new ATOM 0 HG11 VAL A 68 2.781 -23.061 29.093 1.00 33.25 H new ATOM 0 HG12 VAL A 68 1.760 -24.510 29.251 1.00 33.25 H new ATOM 0 HG13 VAL A 68 1.593 -23.455 27.828 1.00 33.25 H new ATOM 0 HG21 VAL A 68 1.805 -20.804 29.391 1.00 73.13 H new ATOM 0 HG22 VAL A 68 0.566 -21.107 28.150 1.00 73.13 H new ATOM 0 HG23 VAL A 68 0.082 -20.612 29.790 1.00 73.13 H new ATOM 1063 N ARG A 69 -1.109 -25.526 28.729 1.00 41.24 N ATOM 1064 CA ARG A 69 -1.215 -26.980 28.912 1.00 33.53 C ATOM 1065 C ARG A 69 -0.523 -27.735 27.759 1.00 42.43 C ATOM 1066 O ARG A 69 -0.458 -27.241 26.631 1.00 12.13 O ATOM 1067 CB ARG A 69 -2.700 -27.376 29.007 1.00 5.11 C ATOM 1068 CG ARG A 69 -2.948 -28.828 29.415 1.00 13.02 C ATOM 1069 CD ARG A 69 -4.437 -29.135 29.570 1.00 2.12 C ATOM 1070 NE ARG A 69 -5.091 -28.245 30.532 1.00 14.43 N ATOM 1071 CZ ARG A 69 -5.795 -28.647 31.557 1.00 65.53 C ATOM 1072 NH1 ARG A 69 -5.900 -29.907 31.845 1.00 71.33 N ATOM 1073 NH2 ARG A 69 -6.377 -27.780 32.312 1.00 12.33 N ATOM 0 H ARG A 69 -1.362 -25.203 27.795 1.00 41.24 H new ATOM 0 HA ARG A 69 -0.709 -27.257 29.837 1.00 33.53 H new ATOM 0 HB2 ARG A 69 -3.191 -26.721 29.727 1.00 5.11 H new ATOM 0 HB3 ARG A 69 -3.172 -27.198 28.041 1.00 5.11 H new ATOM 0 HG2 ARG A 69 -2.517 -29.493 28.667 1.00 13.02 H new ATOM 0 HG3 ARG A 69 -2.436 -29.032 30.355 1.00 13.02 H new ATOM 0 HD2 ARG A 69 -4.928 -29.042 28.601 1.00 2.12 H new ATOM 0 HD3 ARG A 69 -4.561 -30.169 29.892 1.00 2.12 H new ATOM 0 HE ARG A 69 -4.990 -27.240 30.392 1.00 14.43 H new ATOM 0 HH11 ARG A 69 -5.429 -30.603 31.267 1.00 71.33 H new ATOM 0 HH12 ARG A 69 -6.454 -30.202 32.649 1.00 71.33 H new ATOM 0 HH21 ARG A 69 -6.287 -26.785 32.109 1.00 12.33 H new ATOM 0 HH22 ARG A 69 -6.928 -28.089 33.113 1.00 12.33 H new ATOM 1087 N SER A 70 -0.004 -28.929 28.052 1.00 51.45 N ATOM 1088 CA SER A 70 0.738 -29.730 27.059 1.00 2.31 C ATOM 1089 C SER A 70 -0.208 -30.459 26.088 1.00 61.20 C ATOM 1090 O SER A 70 -1.044 -31.259 26.504 1.00 4.24 O ATOM 1091 CB SER A 70 1.638 -30.763 27.761 1.00 22.12 C ATOM 1092 OG SER A 70 2.537 -30.141 28.671 1.00 55.30 O ATOM 0 H SER A 70 -0.081 -29.369 28.969 1.00 51.45 H new ATOM 0 HA SER A 70 1.352 -29.036 26.485 1.00 2.31 H new ATOM 0 HB2 SER A 70 1.018 -31.483 28.296 1.00 22.12 H new ATOM 0 HB3 SER A 70 2.203 -31.321 27.015 1.00 22.12 H new ATOM 0 HG SER A 70 3.092 -30.825 29.101 1.00 55.30 H new ATOM 1162 N GLN A 76 3.888 -26.897 23.913 1.00 35.11 N ATOM 1163 CA GLN A 76 2.730 -26.472 24.712 1.00 60.31 C ATOM 1164 C GLN A 76 1.595 -25.919 23.828 1.00 42.33 C ATOM 1165 O GLN A 76 1.747 -25.775 22.614 1.00 23.24 O ATOM 1166 CB GLN A 76 3.187 -25.387 25.697 1.00 43.11 C ATOM 1167 CG GLN A 76 4.438 -25.759 26.493 1.00 2.52 C ATOM 1168 CD GLN A 76 5.217 -24.541 26.960 1.00 12.24 C ATOM 1169 OE1 GLN A 76 6.102 -24.053 26.268 1.00 62.53 O ATOM 1170 NE2 GLN A 76 4.886 -24.037 28.126 1.00 54.30 N ATOM 0 HA GLN A 76 2.340 -27.340 25.244 1.00 60.31 H new ATOM 0 HB2 GLN A 76 3.380 -24.467 25.145 1.00 43.11 H new ATOM 0 HB3 GLN A 76 2.375 -25.177 26.393 1.00 43.11 H new ATOM 0 HG2 GLN A 76 4.149 -26.355 27.359 1.00 2.52 H new ATOM 0 HG3 GLN A 76 5.084 -26.384 25.877 1.00 2.52 H new ATOM 0 HE21 GLN A 76 4.144 -24.469 28.676 1.00 54.30 H new ATOM 0 HE22 GLN A 76 5.371 -23.213 28.482 1.00 54.30 H new ATOM 1179 N CYS A 77 0.459 -25.603 24.449 1.00 14.13 N ATOM 1180 CA CYS A 77 -0.677 -24.992 23.742 1.00 74.34 C ATOM 1181 C CYS A 77 -1.433 -24.011 24.646 1.00 51.52 C ATOM 1182 O CYS A 77 -1.581 -24.250 25.848 1.00 71.01 O ATOM 1183 CB CYS A 77 -1.647 -26.072 23.240 1.00 72.11 C ATOM 1184 SG CYS A 77 -3.109 -25.424 22.392 1.00 33.14 S ATOM 0 H CYS A 77 0.296 -25.759 25.444 1.00 14.13 H new ATOM 0 HA CYS A 77 -0.274 -24.444 22.891 1.00 74.34 H new ATOM 0 HB2 CYS A 77 -1.113 -26.737 22.561 1.00 72.11 H new ATOM 0 HB3 CYS A 77 -1.971 -26.675 24.088 1.00 72.11 H new ATOM 0 HG CYS A 77 -3.631 -26.357 21.652 1.00 33.14 H new ATOM 1190 N PHE A 78 -1.910 -22.912 24.064 1.00 52.43 N ATOM 1191 CA PHE A 78 -2.688 -21.911 24.806 1.00 3.14 C ATOM 1192 C PHE A 78 -4.177 -22.294 24.880 1.00 23.33 C ATOM 1193 O PHE A 78 -4.861 -22.387 23.856 1.00 71.15 O ATOM 1194 CB PHE A 78 -2.545 -20.524 24.159 1.00 53.55 C ATOM 1195 CG PHE A 78 -1.176 -19.898 24.306 1.00 61.15 C ATOM 1196 CD1 PHE A 78 -0.762 -19.386 25.530 1.00 23.31 C ATOM 1197 CD2 PHE A 78 -0.312 -19.804 23.221 1.00 64.41 C ATOM 1198 CE1 PHE A 78 0.482 -18.796 25.669 1.00 64.44 C ATOM 1199 CE2 PHE A 78 0.932 -19.212 23.356 1.00 51.23 C ATOM 1200 CZ PHE A 78 1.329 -18.708 24.581 1.00 50.40 C ATOM 0 H PHE A 78 -1.773 -22.688 23.078 1.00 52.43 H new ATOM 0 HA PHE A 78 -2.290 -21.879 25.820 1.00 3.14 H new ATOM 0 HB2 PHE A 78 -2.780 -20.607 23.098 1.00 53.55 H new ATOM 0 HB3 PHE A 78 -3.285 -19.855 24.598 1.00 53.55 H new ATOM 0 HD1 PHE A 78 -1.420 -19.449 26.384 1.00 23.31 H new ATOM 0 HD2 PHE A 78 -0.615 -20.197 22.262 1.00 64.41 H new ATOM 0 HE1 PHE A 78 0.791 -18.405 26.627 1.00 64.44 H new ATOM 0 HE2 PHE A 78 1.593 -19.144 22.504 1.00 51.23 H new ATOM 0 HZ PHE A 78 2.300 -18.246 24.687 1.00 50.40 H new ATOM 1210 N TRP A 79 -4.666 -22.530 26.096 1.00 23.23 N ATOM 1211 CA TRP A 79 -6.085 -22.826 26.330 1.00 3.43 C ATOM 1212 C TRP A 79 -6.817 -21.597 26.890 1.00 52.23 C ATOM 1213 O TRP A 79 -6.315 -20.906 27.775 1.00 75.12 O ATOM 1214 CB TRP A 79 -6.231 -24.009 27.295 1.00 14.25 C ATOM 1215 CG TRP A 79 -5.745 -25.311 26.727 1.00 14.15 C ATOM 1216 CD1 TRP A 79 -4.447 -25.696 26.546 1.00 23.01 C ATOM 1217 CD2 TRP A 79 -6.555 -26.402 26.271 1.00 62.42 C ATOM 1218 NE1 TRP A 79 -4.400 -26.958 26.006 1.00 62.34 N ATOM 1219 CE2 TRP A 79 -5.682 -27.414 25.831 1.00 11.13 C ATOM 1220 CE3 TRP A 79 -7.937 -26.621 26.198 1.00 41.24 C ATOM 1221 CZ2 TRP A 79 -6.145 -28.626 25.322 1.00 13.40 C ATOM 1222 CZ3 TRP A 79 -8.395 -27.823 25.692 1.00 63.51 C ATOM 1223 CH2 TRP A 79 -7.500 -28.814 25.262 1.00 41.30 C ATOM 0 H TRP A 79 -4.098 -22.523 26.943 1.00 23.23 H new ATOM 0 HA TRP A 79 -6.537 -23.090 25.374 1.00 3.43 H new ATOM 0 HB2 TRP A 79 -5.678 -23.792 28.209 1.00 14.25 H new ATOM 0 HB3 TRP A 79 -7.280 -24.113 27.574 1.00 14.25 H new ATOM 0 HD1 TRP A 79 -3.584 -25.096 26.792 1.00 23.01 H new ATOM 0 HE1 TRP A 79 -3.550 -27.472 25.773 1.00 62.34 H new ATOM 0 HE3 TRP A 79 -8.632 -25.864 26.531 1.00 41.24 H new ATOM 0 HZ2 TRP A 79 -5.459 -29.390 24.987 1.00 13.40 H new ATOM 0 HZ3 TRP A 79 -9.458 -28.002 25.627 1.00 63.51 H new ATOM 0 HH2 TRP A 79 -7.888 -29.745 24.875 1.00 41.30 H new ATOM 1234 N ILE A 80 -8.004 -21.323 26.363 1.00 43.44 N ATOM 1235 CA ILE A 80 -8.782 -20.147 26.764 1.00 21.03 C ATOM 1236 C ILE A 80 -9.860 -20.497 27.800 1.00 24.52 C ATOM 1237 O ILE A 80 -10.844 -21.171 27.482 1.00 24.44 O ATOM 1238 CB ILE A 80 -9.473 -19.500 25.538 1.00 5.33 C ATOM 1239 CG1 ILE A 80 -8.450 -19.225 24.425 1.00 0.24 C ATOM 1240 CG2 ILE A 80 -10.193 -18.209 25.939 1.00 63.40 C ATOM 1241 CD1 ILE A 80 -9.076 -18.777 23.124 1.00 2.44 C ATOM 0 H ILE A 80 -8.455 -21.900 25.653 1.00 43.44 H new ATOM 0 HA ILE A 80 -8.076 -19.447 27.210 1.00 21.03 H new ATOM 0 HB ILE A 80 -10.217 -20.200 25.157 1.00 5.33 H new ATOM 0 HG12 ILE A 80 -7.753 -18.460 24.765 1.00 0.24 H new ATOM 0 HG13 ILE A 80 -7.868 -20.129 24.246 1.00 0.24 H new ATOM 0 HG21 ILE A 80 -10.671 -17.772 25.062 1.00 63.40 H new ATOM 0 HG22 ILE A 80 -10.949 -18.433 26.691 1.00 63.40 H new ATOM 0 HG23 ILE A 80 -9.472 -17.502 26.349 1.00 63.40 H new ATOM 0 HD11 ILE A 80 -8.294 -18.602 22.385 1.00 2.44 H new ATOM 0 HD12 ILE A 80 -9.752 -19.551 22.760 1.00 2.44 H new ATOM 0 HD13 ILE A 80 -9.634 -17.855 23.287 1.00 2.44 H new ATOM 1253 N LEU A 81 -9.671 -20.044 29.039 1.00 20.15 N ATOM 1254 CA LEU A 81 -10.719 -20.147 30.057 1.00 14.11 C ATOM 1255 C LEU A 81 -11.665 -18.944 29.943 1.00 42.24 C ATOM 1256 O LEU A 81 -11.354 -17.830 30.382 1.00 4.32 O ATOM 1257 CB LEU A 81 -10.126 -20.254 31.473 1.00 21.54 C ATOM 1258 CG LEU A 81 -9.536 -21.630 31.845 1.00 23.03 C ATOM 1259 CD1 LEU A 81 -10.597 -22.722 31.733 1.00 44.02 C ATOM 1260 CD2 LEU A 81 -8.322 -21.963 30.978 1.00 23.22 C ATOM 0 H LEU A 81 -8.809 -19.605 29.362 1.00 20.15 H new ATOM 0 HA LEU A 81 -11.284 -21.062 29.881 1.00 14.11 H new ATOM 0 HB2 LEU A 81 -9.343 -19.503 31.578 1.00 21.54 H new ATOM 0 HB3 LEU A 81 -10.905 -20.006 32.194 1.00 21.54 H new ATOM 0 HG LEU A 81 -9.203 -21.582 32.882 1.00 23.03 H new ATOM 0 HD11 LEU A 81 -10.159 -23.684 32.000 1.00 44.02 H new ATOM 0 HD12 LEU A 81 -11.422 -22.499 32.410 1.00 44.02 H new ATOM 0 HD13 LEU A 81 -10.969 -22.764 30.709 1.00 44.02 H new ATOM 0 HD21 LEU A 81 -7.928 -22.938 31.263 1.00 23.22 H new ATOM 0 HD22 LEU A 81 -8.619 -21.984 29.929 1.00 23.22 H new ATOM 0 HD23 LEU A 81 -7.553 -21.204 31.122 1.00 23.22 H new ATOM 1272 N ARG A 82 -12.805 -19.184 29.312 1.00 64.15 N ATOM 1273 CA ARG A 82 -13.777 -18.136 28.997 1.00 14.05 C ATOM 1274 C ARG A 82 -14.598 -17.711 30.224 1.00 31.21 C ATOM 1275 O ARG A 82 -14.797 -18.493 31.153 1.00 23.15 O ATOM 1276 CB ARG A 82 -14.723 -18.653 27.905 1.00 75.22 C ATOM 1277 CG ARG A 82 -14.039 -18.903 26.560 1.00 14.45 C ATOM 1278 CD ARG A 82 -14.583 -20.142 25.845 1.00 13.34 C ATOM 1279 NE ARG A 82 -16.048 -20.212 25.856 1.00 25.13 N ATOM 1280 CZ ARG A 82 -16.770 -20.667 24.868 1.00 52.34 C ATOM 1281 NH1 ARG A 82 -16.219 -20.985 23.741 1.00 55.15 N ATOM 1282 NH2 ARG A 82 -18.052 -20.794 25.008 1.00 41.31 N ATOM 0 H ARG A 82 -13.087 -20.113 29.001 1.00 64.15 H new ATOM 0 HA ARG A 82 -13.227 -17.259 28.656 1.00 14.05 H new ATOM 0 HB2 ARG A 82 -15.183 -19.581 28.246 1.00 75.22 H new ATOM 0 HB3 ARG A 82 -15.528 -17.932 27.764 1.00 75.22 H new ATOM 0 HG2 ARG A 82 -14.173 -18.031 25.920 1.00 14.45 H new ATOM 0 HG3 ARG A 82 -12.967 -19.020 26.718 1.00 14.45 H new ATOM 0 HD2 ARG A 82 -14.232 -20.143 24.813 1.00 13.34 H new ATOM 0 HD3 ARG A 82 -14.178 -21.036 26.320 1.00 13.34 H new ATOM 0 HE ARG A 82 -16.535 -19.884 26.690 1.00 25.13 H new ATOM 0 HH11 ARG A 82 -15.212 -20.881 23.618 1.00 55.15 H new ATOM 0 HH12 ARG A 82 -16.792 -21.340 22.975 1.00 55.15 H new ATOM 0 HH21 ARG A 82 -18.497 -20.539 25.890 1.00 41.31 H new ATOM 0 HH22 ARG A 82 -18.617 -21.149 24.236 1.00 41.31 H new ATOM 1296 N THR A 83 -15.091 -16.471 30.208 1.00 23.24 N ATOM 1297 CA THR A 83 -16.041 -16.000 31.230 1.00 71.52 C ATOM 1298 C THR A 83 -17.322 -16.842 31.188 1.00 73.44 C ATOM 1299 O THR A 83 -18.086 -16.910 32.152 1.00 33.23 O ATOM 1300 CB THR A 83 -16.415 -14.515 31.016 1.00 32.32 C ATOM 1301 OG1 THR A 83 -16.982 -14.339 29.707 1.00 33.42 O ATOM 1302 CG2 THR A 83 -15.196 -13.610 31.172 1.00 35.14 C ATOM 0 H THR A 83 -14.852 -15.773 29.503 1.00 23.24 H new ATOM 0 HA THR A 83 -15.554 -16.103 32.200 1.00 71.52 H new ATOM 0 HB THR A 83 -17.147 -14.238 31.775 1.00 32.32 H new ATOM 0 HG1 THR A 83 -16.306 -14.542 29.028 1.00 33.42 H new ATOM 0 HG21 THR A 83 -15.491 -12.572 31.016 1.00 35.14 H new ATOM 0 HG22 THR A 83 -14.785 -13.723 32.175 1.00 35.14 H new ATOM 0 HG23 THR A 83 -14.441 -13.887 30.437 1.00 35.14 H new ATOM 1310 N ASP A 84 -17.533 -17.478 30.038 1.00 72.54 N ATOM 1311 CA ASP A 84 -18.624 -18.429 29.829 1.00 72.05 C ATOM 1312 C ASP A 84 -18.527 -19.624 30.800 1.00 22.53 C ATOM 1313 O ASP A 84 -19.534 -20.241 31.144 1.00 34.23 O ATOM 1314 CB ASP A 84 -18.569 -18.911 28.373 1.00 14.45 C ATOM 1315 CG ASP A 84 -19.708 -19.841 27.993 1.00 2.13 C ATOM 1316 OD1 ASP A 84 -20.877 -19.413 28.054 1.00 55.41 O ATOM 1317 OD2 ASP A 84 -19.431 -20.991 27.590 1.00 23.54 O ATOM 0 H ASP A 84 -16.945 -17.347 29.215 1.00 72.54 H new ATOM 0 HA ASP A 84 -19.575 -17.935 30.028 1.00 72.05 H new ATOM 0 HB2 ASP A 84 -18.584 -18.044 27.712 1.00 14.45 H new ATOM 0 HB3 ASP A 84 -17.622 -19.424 28.205 1.00 14.45 H new ATOM 1322 N GLY A 85 -17.308 -19.936 31.247 1.00 21.02 N ATOM 1323 CA GLY A 85 -17.091 -21.068 32.149 1.00 71.23 C ATOM 1324 C GLY A 85 -16.425 -22.259 31.466 1.00 74.40 C ATOM 1325 O GLY A 85 -15.915 -23.165 32.132 1.00 22.01 O ATOM 0 H GLY A 85 -16.461 -19.424 31.000 1.00 21.02 H new ATOM 0 HA2 GLY A 85 -16.472 -20.744 32.986 1.00 71.23 H new ATOM 0 HA3 GLY A 85 -18.049 -21.383 32.563 1.00 71.23 H new ATOM 1329 N SER A 86 -16.428 -22.254 30.137 1.00 42.45 N ATOM 1330 CA SER A 86 -15.854 -23.347 29.337 1.00 64.41 C ATOM 1331 C SER A 86 -14.424 -23.032 28.861 1.00 73.42 C ATOM 1332 O SER A 86 -13.988 -21.878 28.866 1.00 55.34 O ATOM 1333 CB SER A 86 -16.751 -23.623 28.124 1.00 34.54 C ATOM 1334 OG SER A 86 -16.976 -22.436 27.377 1.00 12.31 O ATOM 0 H SER A 86 -16.825 -21.498 29.579 1.00 42.45 H new ATOM 0 HA SER A 86 -15.801 -24.229 29.976 1.00 64.41 H new ATOM 0 HB2 SER A 86 -16.286 -24.375 27.487 1.00 34.54 H new ATOM 0 HB3 SER A 86 -17.704 -24.033 28.458 1.00 34.54 H new ATOM 0 HG SER A 86 -17.869 -22.086 27.580 1.00 12.31 H new ATOM 1340 N GLU A 87 -13.705 -24.075 28.445 1.00 44.11 N ATOM 1341 CA GLU A 87 -12.323 -23.944 27.955 1.00 51.53 C ATOM 1342 C GLU A 87 -12.205 -24.363 26.480 1.00 40.24 C ATOM 1343 O GLU A 87 -12.861 -25.310 26.035 1.00 0.44 O ATOM 1344 CB GLU A 87 -11.375 -24.811 28.800 1.00 2.43 C ATOM 1345 CG GLU A 87 -11.860 -26.251 28.971 1.00 54.43 C ATOM 1346 CD GLU A 87 -10.785 -27.206 29.472 1.00 60.33 C ATOM 1347 OE1 GLU A 87 -10.092 -26.875 30.453 1.00 11.33 O ATOM 1348 OE2 GLU A 87 -10.637 -28.301 28.884 1.00 34.43 O ATOM 0 H GLU A 87 -14.058 -25.032 28.436 1.00 44.11 H new ATOM 0 HA GLU A 87 -12.044 -22.894 28.042 1.00 51.53 H new ATOM 0 HB2 GLU A 87 -10.390 -24.820 28.333 1.00 2.43 H new ATOM 0 HB3 GLU A 87 -11.258 -24.356 29.783 1.00 2.43 H new ATOM 0 HG2 GLU A 87 -12.697 -26.262 29.669 1.00 54.43 H new ATOM 0 HG3 GLU A 87 -12.238 -26.613 28.015 1.00 54.43 H new ATOM 1355 N GLU A 88 -11.365 -23.660 25.726 1.00 60.45 N ATOM 1356 CA GLU A 88 -11.089 -24.028 24.333 1.00 32.25 C ATOM 1357 C GLU A 88 -9.743 -23.454 23.864 1.00 24.12 C ATOM 1358 O GLU A 88 -9.384 -22.334 24.209 1.00 33.04 O ATOM 1359 CB GLU A 88 -12.222 -23.552 23.412 1.00 63.13 C ATOM 1360 CG GLU A 88 -12.096 -24.058 21.979 1.00 73.34 C ATOM 1361 CD GLU A 88 -12.036 -25.577 21.898 1.00 21.53 C ATOM 1362 OE1 GLU A 88 -13.100 -26.223 21.992 1.00 22.04 O ATOM 1363 OE2 GLU A 88 -10.924 -26.136 21.764 1.00 0.34 O ATOM 0 H GLU A 88 -10.863 -22.834 26.051 1.00 60.45 H new ATOM 0 HA GLU A 88 -11.031 -25.115 24.281 1.00 32.25 H new ATOM 0 HB2 GLU A 88 -13.176 -23.882 23.823 1.00 63.13 H new ATOM 0 HB3 GLU A 88 -12.239 -22.462 23.404 1.00 63.13 H new ATOM 0 HG2 GLU A 88 -12.944 -23.700 21.395 1.00 73.34 H new ATOM 0 HG3 GLU A 88 -11.198 -23.638 21.527 1.00 73.34 H new ATOM 1370 N ARG A 89 -9.006 -24.229 23.074 1.00 24.32 N ATOM 1371 CA ARG A 89 -7.661 -23.835 22.622 1.00 2.45 C ATOM 1372 C ARG A 89 -7.686 -23.172 21.234 1.00 53.20 C ATOM 1373 O ARG A 89 -8.638 -23.335 20.469 1.00 2.34 O ATOM 1374 CB ARG A 89 -6.740 -25.066 22.602 1.00 50.12 C ATOM 1375 CG ARG A 89 -7.349 -26.278 21.900 1.00 13.32 C ATOM 1376 CD ARG A 89 -6.401 -27.474 21.905 1.00 41.40 C ATOM 1377 NE ARG A 89 -7.084 -28.715 21.537 1.00 12.54 N ATOM 1378 CZ ARG A 89 -6.565 -29.650 20.784 1.00 44.20 C ATOM 1379 NH1 ARG A 89 -5.424 -29.473 20.201 1.00 1.34 N ATOM 1380 NH2 ARG A 89 -7.220 -30.745 20.584 1.00 52.03 N ATOM 0 H ARG A 89 -9.313 -25.138 22.728 1.00 24.32 H new ATOM 0 HA ARG A 89 -7.278 -23.097 23.327 1.00 2.45 H new ATOM 0 HB2 ARG A 89 -5.806 -24.802 22.106 1.00 50.12 H new ATOM 0 HB3 ARG A 89 -6.491 -25.339 23.627 1.00 50.12 H new ATOM 0 HG2 ARG A 89 -8.282 -26.552 22.393 1.00 13.32 H new ATOM 0 HG3 ARG A 89 -7.597 -26.015 20.872 1.00 13.32 H new ATOM 0 HD2 ARG A 89 -5.582 -27.291 21.209 1.00 41.40 H new ATOM 0 HD3 ARG A 89 -5.960 -27.583 22.896 1.00 41.40 H new ATOM 0 HE ARG A 89 -8.029 -28.861 21.892 1.00 12.54 H new ATOM 0 HH11 ARG A 89 -4.918 -28.596 20.326 1.00 1.34 H new ATOM 0 HH12 ARG A 89 -5.030 -30.210 19.616 1.00 1.34 H new ATOM 0 HH21 ARG A 89 -8.136 -30.877 21.012 1.00 52.03 H new ATOM 0 HH22 ARG A 89 -6.821 -31.478 19.998 1.00 52.03 H new ATOM 1394 N PHE A 90 -6.628 -22.425 20.920 1.00 25.41 N ATOM 1395 CA PHE A 90 -6.501 -21.773 19.610 1.00 11.11 C ATOM 1396 C PHE A 90 -5.083 -21.943 19.036 1.00 54.32 C ATOM 1397 O PHE A 90 -4.093 -21.942 19.772 1.00 64.14 O ATOM 1398 CB PHE A 90 -6.862 -20.281 19.713 1.00 54.24 C ATOM 1399 CG PHE A 90 -5.860 -19.437 20.470 1.00 11.20 C ATOM 1400 CD1 PHE A 90 -5.845 -19.422 21.857 1.00 75.33 C ATOM 1401 CD2 PHE A 90 -4.942 -18.645 19.788 1.00 42.32 C ATOM 1402 CE1 PHE A 90 -4.939 -18.640 22.548 1.00 54.14 C ATOM 1403 CE2 PHE A 90 -4.032 -17.864 20.474 1.00 60.42 C ATOM 1404 CZ PHE A 90 -4.031 -17.861 21.856 1.00 42.40 C ATOM 0 H PHE A 90 -5.846 -22.254 21.552 1.00 25.41 H new ATOM 0 HA PHE A 90 -7.200 -22.257 18.928 1.00 11.11 H new ATOM 0 HB2 PHE A 90 -6.969 -19.877 18.706 1.00 54.24 H new ATOM 0 HB3 PHE A 90 -7.834 -20.189 20.198 1.00 54.24 H new ATOM 0 HD1 PHE A 90 -6.551 -20.029 22.404 1.00 75.33 H new ATOM 0 HD2 PHE A 90 -4.941 -18.641 18.708 1.00 42.32 H new ATOM 0 HE1 PHE A 90 -4.941 -18.638 23.628 1.00 54.14 H new ATOM 0 HE2 PHE A 90 -3.323 -17.257 19.931 1.00 60.42 H new ATOM 0 HZ PHE A 90 -3.321 -17.251 22.395 1.00 42.40 H new ATOM 1414 N SER A 91 -4.993 -22.079 17.715 1.00 1.40 N ATOM 1415 CA SER A 91 -3.706 -22.292 17.042 1.00 21.40 C ATOM 1416 C SER A 91 -2.926 -20.978 16.870 1.00 50.23 C ATOM 1417 O SER A 91 -3.142 -20.227 15.917 1.00 22.00 O ATOM 1418 CB SER A 91 -3.924 -22.951 15.674 1.00 52.52 C ATOM 1419 OG SER A 91 -4.796 -22.179 14.859 1.00 12.22 O ATOM 0 H SER A 91 -5.795 -22.046 17.085 1.00 1.40 H new ATOM 0 HA SER A 91 -3.113 -22.953 17.674 1.00 21.40 H new ATOM 0 HB2 SER A 91 -2.965 -23.072 15.170 1.00 52.52 H new ATOM 0 HB3 SER A 91 -4.340 -23.949 15.811 1.00 52.52 H new ATOM 0 HG SER A 91 -4.562 -21.231 14.936 1.00 12.22 H new ATOM 1425 N TYR A 92 -2.014 -20.699 17.803 1.00 42.22 N ATOM 1426 CA TYR A 92 -1.192 -19.483 17.738 1.00 43.23 C ATOM 1427 C TYR A 92 -0.260 -19.488 16.510 1.00 71.22 C ATOM 1428 O TYR A 92 0.096 -18.430 15.991 1.00 32.22 O ATOM 1429 CB TYR A 92 -0.377 -19.306 19.033 1.00 62.44 C ATOM 1430 CG TYR A 92 0.719 -20.344 19.244 1.00 30.24 C ATOM 1431 CD1 TYR A 92 0.439 -21.587 19.807 1.00 43.23 C ATOM 1432 CD2 TYR A 92 2.038 -20.074 18.884 1.00 74.31 C ATOM 1433 CE1 TYR A 92 1.438 -22.523 20.005 1.00 35.52 C ATOM 1434 CE2 TYR A 92 3.040 -21.006 19.077 1.00 2.00 C ATOM 1435 CZ TYR A 92 2.736 -22.229 19.638 1.00 41.02 C ATOM 1436 OH TYR A 92 3.733 -23.157 19.834 1.00 41.42 O ATOM 0 H TYR A 92 -1.824 -21.293 18.610 1.00 42.22 H new ATOM 0 HA TYR A 92 -1.871 -18.637 17.633 1.00 43.23 H new ATOM 0 HB2 TYR A 92 0.077 -18.315 19.028 1.00 62.44 H new ATOM 0 HB3 TYR A 92 -1.059 -19.340 19.883 1.00 62.44 H new ATOM 0 HD1 TYR A 92 -0.575 -21.824 20.094 1.00 43.23 H new ATOM 0 HD2 TYR A 92 2.282 -19.118 18.446 1.00 74.31 H new ATOM 0 HE1 TYR A 92 1.203 -23.481 20.445 1.00 35.52 H new ATOM 0 HE2 TYR A 92 4.056 -20.778 18.790 1.00 2.00 H new ATOM 0 HH TYR A 92 4.586 -22.791 19.520 1.00 41.42 H new ATOM 1446 N LYS A 93 0.120 -20.681 16.039 1.00 1.23 N ATOM 1447 CA LYS A 93 0.982 -20.800 14.851 1.00 54.40 C ATOM 1448 C LYS A 93 0.241 -20.390 13.563 1.00 11.31 C ATOM 1449 O LYS A 93 0.849 -20.240 12.506 1.00 3.30 O ATOM 1450 CB LYS A 93 1.528 -22.232 14.709 1.00 23.12 C ATOM 1451 CG LYS A 93 0.453 -23.301 14.509 1.00 13.52 C ATOM 1452 CD LYS A 93 1.065 -24.679 14.239 1.00 73.05 C ATOM 1453 CE LYS A 93 1.837 -24.715 12.920 1.00 70.22 C ATOM 1454 NZ LYS A 93 2.509 -26.024 12.694 1.00 61.24 N ATOM 0 H LYS A 93 -0.151 -21.572 16.455 1.00 1.23 H new ATOM 0 HA LYS A 93 1.817 -20.115 14.993 1.00 54.40 H new ATOM 0 HB2 LYS A 93 2.216 -22.263 13.864 1.00 23.12 H new ATOM 0 HB3 LYS A 93 2.106 -22.477 15.600 1.00 23.12 H new ATOM 0 HG2 LYS A 93 -0.179 -23.351 15.396 1.00 13.52 H new ATOM 0 HG3 LYS A 93 -0.190 -23.019 13.675 1.00 13.52 H new ATOM 0 HD2 LYS A 93 1.734 -24.945 15.058 1.00 73.05 H new ATOM 0 HD3 LYS A 93 0.274 -25.429 14.217 1.00 73.05 H new ATOM 0 HE2 LYS A 93 1.153 -24.513 12.096 1.00 70.22 H new ATOM 0 HE3 LYS A 93 2.583 -23.921 12.917 1.00 70.22 H new ATOM 0 HZ1 LYS A 93 3.019 -26.000 11.788 1.00 61.24 H new ATOM 0 HZ2 LYS A 93 3.182 -26.207 13.466 1.00 61.24 H new ATOM 0 HZ3 LYS A 93 1.796 -26.781 12.670 1.00 61.24 H new