USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -172:sc= -0.969 (180deg=-1.09) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc=-0.00582 (180deg=-0.0854) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0.0385 (180deg=0.0306) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.074) USER MOD Single : A 20 THR OG1 : rot -74:sc= 0.161 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0595) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= 0.376 (180deg=0.0463) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.371 (180deg=0.272) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -171:sc= -2 (180deg=-2.28!) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 60 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.83) USER MOD Single : A 61 MET CE :methyl 175:sc= -3.53! (180deg=-3.75!) USER MOD Single : A 62 TYR OH : rot 46:sc= 0.168 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.156) USER MOD Single : A 67 ASN : amide:sc= -0.0736 K(o=-0.074,f=-9.5!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0.505 (180deg=0.421) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0309 (180deg=-0.203) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= -0.0124 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.446 -13.497 9.013 1.00 53.00 N ATOM 114 CA LYS A 7 0.918 -12.920 9.103 1.00 71.31 C ATOM 115 C LYS A 7 1.267 -12.125 7.810 1.00 53.11 C ATOM 116 O LYS A 7 1.946 -11.089 7.867 1.00 5.20 O ATOM 117 CB LYS A 7 1.931 -14.078 9.387 1.00 33.34 C ATOM 118 CG LYS A 7 3.387 -13.664 9.757 1.00 31.44 C ATOM 119 CD LYS A 7 4.297 -13.357 8.539 1.00 54.20 C ATOM 120 CE LYS A 7 5.714 -12.938 8.956 1.00 54.22 C ATOM 121 NZ LYS A 7 6.425 -14.016 9.695 1.00 1.32 N ATOM 0 HA LYS A 7 0.973 -12.205 9.923 1.00 71.31 H new ATOM 0 HB2 LYS A 7 1.533 -14.685 10.200 1.00 33.34 H new ATOM 0 HB3 LYS A 7 1.973 -14.716 8.504 1.00 33.34 H new ATOM 0 HG2 LYS A 7 3.349 -12.783 10.398 1.00 31.44 H new ATOM 0 HG3 LYS A 7 3.841 -14.464 10.342 1.00 31.44 H new ATOM 0 HD2 LYS A 7 4.355 -14.239 7.901 1.00 54.20 H new ATOM 0 HD3 LYS A 7 3.847 -12.562 7.944 1.00 54.20 H new ATOM 0 HE2 LYS A 7 6.287 -12.669 8.069 1.00 54.22 H new ATOM 0 HE3 LYS A 7 5.658 -12.047 9.581 1.00 54.22 H new ATOM 0 HZ1 LYS A 7 7.418 -13.742 9.837 1.00 1.32 H new ATOM 0 HZ2 LYS A 7 5.970 -14.162 10.619 1.00 1.32 H new ATOM 0 HZ3 LYS A 7 6.384 -14.898 9.146 1.00 1.32 H new ATOM 135 N LEU A 8 0.784 -12.631 6.661 1.00 45.32 N ATOM 136 CA LEU A 8 0.888 -11.952 5.351 1.00 75.24 C ATOM 137 C LEU A 8 0.123 -10.609 5.393 1.00 74.20 C ATOM 138 O LEU A 8 0.642 -9.573 4.965 1.00 3.51 O ATOM 139 CB LEU A 8 0.330 -12.909 4.248 1.00 41.23 C ATOM 140 CG LEU A 8 0.592 -12.556 2.738 1.00 63.11 C ATOM 141 CD1 LEU A 8 0.479 -13.820 1.860 1.00 40.45 C ATOM 142 CD2 LEU A 8 -0.357 -11.452 2.196 1.00 4.01 C ATOM 0 H LEU A 8 0.306 -13.531 6.612 1.00 45.32 H new ATOM 0 HA LEU A 8 1.928 -11.723 5.117 1.00 75.24 H new ATOM 0 HB2 LEU A 8 0.743 -13.901 4.432 1.00 41.23 H new ATOM 0 HB3 LEU A 8 -0.749 -12.981 4.388 1.00 41.23 H new ATOM 0 HG LEU A 8 1.606 -12.159 2.688 1.00 63.11 H new ATOM 0 HD11 LEU A 8 0.663 -13.557 0.818 1.00 40.45 H new ATOM 0 HD12 LEU A 8 1.215 -14.555 2.184 1.00 40.45 H new ATOM 0 HD13 LEU A 8 -0.522 -14.242 1.956 1.00 40.45 H new ATOM 0 HD21 LEU A 8 -0.125 -11.254 1.149 1.00 4.01 H new ATOM 0 HD22 LEU A 8 -1.391 -11.787 2.282 1.00 4.01 H new ATOM 0 HD23 LEU A 8 -0.222 -10.539 2.776 1.00 4.01 H new ATOM 154 N LEU A 9 -1.113 -10.655 5.935 1.00 23.03 N ATOM 155 CA LEU A 9 -1.969 -9.460 6.100 1.00 22.01 C ATOM 156 C LEU A 9 -1.406 -8.469 7.151 1.00 22.14 C ATOM 157 O LEU A 9 -1.681 -7.282 7.065 1.00 74.20 O ATOM 158 CB LEU A 9 -3.423 -9.864 6.464 1.00 73.24 C ATOM 159 CG LEU A 9 -4.177 -10.747 5.415 1.00 11.51 C ATOM 160 CD1 LEU A 9 -5.633 -11.021 5.853 1.00 21.33 C ATOM 161 CD2 LEU A 9 -4.126 -10.132 3.991 1.00 62.02 C ATOM 0 H LEU A 9 -1.544 -11.517 6.269 1.00 23.03 H new ATOM 0 HA LEU A 9 -1.975 -8.945 5.139 1.00 22.01 H new ATOM 0 HB2 LEU A 9 -3.402 -10.401 7.412 1.00 73.24 H new ATOM 0 HB3 LEU A 9 -4.001 -8.954 6.625 1.00 73.24 H new ATOM 0 HG LEU A 9 -3.655 -11.703 5.371 1.00 11.51 H new ATOM 0 HD11 LEU A 9 -6.129 -11.637 5.103 1.00 21.33 H new ATOM 0 HD12 LEU A 9 -5.633 -11.544 6.809 1.00 21.33 H new ATOM 0 HD13 LEU A 9 -6.166 -10.076 5.956 1.00 21.33 H new ATOM 0 HD21 LEU A 9 -4.662 -10.778 3.296 1.00 62.02 H new ATOM 0 HD22 LEU A 9 -4.592 -9.147 4.003 1.00 62.02 H new ATOM 0 HD23 LEU A 9 -3.088 -10.038 3.672 1.00 62.02 H new ATOM 173 N GLU A 10 -0.642 -8.979 8.141 1.00 41.00 N ATOM 174 CA GLU A 10 0.071 -8.140 9.140 1.00 24.31 C ATOM 175 C GLU A 10 1.160 -7.298 8.454 1.00 44.20 C ATOM 176 O GLU A 10 1.236 -6.088 8.638 1.00 2.30 O ATOM 177 CB GLU A 10 0.723 -9.014 10.257 1.00 14.41 C ATOM 178 CG GLU A 10 -0.258 -9.760 11.180 1.00 61.03 C ATOM 179 CD GLU A 10 -1.162 -8.823 12.001 1.00 51.23 C ATOM 180 OE1 GLU A 10 -0.766 -8.431 13.125 1.00 73.51 O ATOM 181 OE2 GLU A 10 -2.266 -8.466 11.538 1.00 4.10 O ATOM 0 H GLU A 10 -0.500 -9.980 8.274 1.00 41.00 H new ATOM 0 HA GLU A 10 -0.666 -7.482 9.599 1.00 24.31 H new ATOM 0 HB2 GLU A 10 1.377 -9.747 9.784 1.00 14.41 H new ATOM 0 HB3 GLU A 10 1.355 -8.373 10.872 1.00 14.41 H new ATOM 0 HG2 GLU A 10 -0.883 -10.418 10.577 1.00 61.03 H new ATOM 0 HG3 GLU A 10 0.308 -10.395 11.862 1.00 61.03 H new ATOM 188 N LYS A 11 1.987 -7.976 7.643 1.00 1.14 N ATOM 189 CA LYS A 11 3.075 -7.343 6.876 1.00 12.12 C ATOM 190 C LYS A 11 2.508 -6.362 5.815 1.00 73.32 C ATOM 191 O LYS A 11 3.097 -5.307 5.563 1.00 12.33 O ATOM 192 CB LYS A 11 3.958 -8.446 6.235 1.00 64.33 C ATOM 193 CG LYS A 11 5.139 -7.927 5.385 1.00 2.34 C ATOM 194 CD LYS A 11 6.181 -9.030 5.064 1.00 41.23 C ATOM 195 CE LYS A 11 7.353 -8.514 4.211 1.00 14.34 C ATOM 196 NZ LYS A 11 8.032 -7.329 4.809 1.00 64.02 N ATOM 0 H LYS A 11 1.921 -8.984 7.499 1.00 1.14 H new ATOM 0 HA LYS A 11 3.697 -6.751 7.547 1.00 12.12 H new ATOM 0 HB2 LYS A 11 4.353 -9.081 7.028 1.00 64.33 H new ATOM 0 HB3 LYS A 11 3.327 -9.076 5.607 1.00 64.33 H new ATOM 0 HG2 LYS A 11 4.755 -7.514 4.452 1.00 2.34 H new ATOM 0 HG3 LYS A 11 5.632 -7.112 5.915 1.00 2.34 H new ATOM 0 HD2 LYS A 11 6.569 -9.439 5.997 1.00 41.23 H new ATOM 0 HD3 LYS A 11 5.688 -9.848 4.538 1.00 41.23 H new ATOM 0 HE2 LYS A 11 8.081 -9.315 4.081 1.00 14.34 H new ATOM 0 HE3 LYS A 11 6.985 -8.253 3.219 1.00 14.34 H new ATOM 0 HZ1 LYS A 11 8.843 -7.058 4.217 1.00 64.02 H new ATOM 0 HZ2 LYS A 11 7.362 -6.535 4.863 1.00 64.02 H new ATOM 0 HZ3 LYS A 11 8.365 -7.566 5.765 1.00 64.02 H new ATOM 210 N LEU A 12 1.340 -6.716 5.243 1.00 44.24 N ATOM 211 CA LEU A 12 0.608 -5.870 4.272 1.00 2.13 C ATOM 212 C LEU A 12 0.084 -4.580 4.970 1.00 53.33 C ATOM 213 O LEU A 12 0.200 -3.479 4.427 1.00 22.21 O ATOM 214 CB LEU A 12 -0.541 -6.717 3.623 1.00 20.41 C ATOM 215 CG LEU A 12 -1.238 -6.164 2.321 1.00 65.43 C ATOM 216 CD1 LEU A 12 -2.276 -5.054 2.611 1.00 63.15 C ATOM 217 CD2 LEU A 12 -0.186 -5.691 1.292 1.00 33.15 C ATOM 0 H LEU A 12 0.873 -7.601 5.441 1.00 44.24 H new ATOM 0 HA LEU A 12 1.274 -5.542 3.474 1.00 2.13 H new ATOM 0 HB2 LEU A 12 -0.136 -7.702 3.390 1.00 20.41 H new ATOM 0 HB3 LEU A 12 -1.314 -6.861 4.378 1.00 20.41 H new ATOM 0 HG LEU A 12 -1.796 -6.996 1.892 1.00 65.43 H new ATOM 0 HD11 LEU A 12 -2.719 -4.716 1.674 1.00 63.15 H new ATOM 0 HD12 LEU A 12 -3.058 -5.448 3.261 1.00 63.15 H new ATOM 0 HD13 LEU A 12 -1.784 -4.215 3.103 1.00 63.15 H new ATOM 0 HD21 LEU A 12 -0.691 -5.314 0.403 1.00 33.15 H new ATOM 0 HD22 LEU A 12 0.420 -4.897 1.729 1.00 33.15 H new ATOM 0 HD23 LEU A 12 0.456 -6.528 1.017 1.00 33.15 H new ATOM 229 N GLU A 13 -0.468 -4.749 6.192 1.00 24.33 N ATOM 230 CA GLU A 13 -0.895 -3.629 7.073 1.00 51.21 C ATOM 231 C GLU A 13 0.265 -2.661 7.371 1.00 51.20 C ATOM 232 O GLU A 13 0.082 -1.441 7.382 1.00 1.30 O ATOM 233 CB GLU A 13 -1.474 -4.185 8.414 1.00 2.12 C ATOM 234 CG GLU A 13 -2.927 -4.693 8.333 1.00 21.30 C ATOM 235 CD GLU A 13 -3.931 -3.559 8.140 1.00 55.11 C ATOM 236 OE1 GLU A 13 -4.149 -3.125 6.983 1.00 35.31 O ATOM 237 OE2 GLU A 13 -4.478 -3.065 9.154 1.00 65.01 O ATOM 0 H GLU A 13 -0.632 -5.669 6.601 1.00 24.33 H new ATOM 0 HA GLU A 13 -1.669 -3.074 6.542 1.00 51.21 H new ATOM 0 HB2 GLU A 13 -0.838 -5.001 8.757 1.00 2.12 H new ATOM 0 HB3 GLU A 13 -1.420 -3.400 9.169 1.00 2.12 H new ATOM 0 HG2 GLU A 13 -3.017 -5.398 7.507 1.00 21.30 H new ATOM 0 HG3 GLU A 13 -3.170 -5.238 9.245 1.00 21.30 H new ATOM 244 N LYS A 14 1.453 -3.238 7.610 1.00 0.03 N ATOM 245 CA LYS A 14 2.674 -2.476 7.913 1.00 3.40 C ATOM 246 C LYS A 14 3.194 -1.702 6.686 1.00 23.21 C ATOM 247 O LYS A 14 3.772 -0.641 6.851 1.00 10.22 O ATOM 248 CB LYS A 14 3.760 -3.414 8.497 1.00 43.22 C ATOM 249 CG LYS A 14 3.331 -4.079 9.823 1.00 54.44 C ATOM 250 CD LYS A 14 4.391 -5.035 10.420 1.00 71.31 C ATOM 251 CE LYS A 14 3.850 -5.825 11.625 1.00 61.33 C ATOM 252 NZ LYS A 14 3.267 -4.938 12.671 1.00 52.33 N ATOM 0 H LYS A 14 1.594 -4.248 7.598 1.00 0.03 H new ATOM 0 HA LYS A 14 2.423 -1.728 8.665 1.00 3.40 H new ATOM 0 HB2 LYS A 14 3.994 -4.189 7.767 1.00 43.22 H new ATOM 0 HB3 LYS A 14 4.675 -2.844 8.662 1.00 43.22 H new ATOM 0 HG2 LYS A 14 3.107 -3.300 10.552 1.00 54.44 H new ATOM 0 HG3 LYS A 14 2.408 -4.635 9.657 1.00 54.44 H new ATOM 0 HD2 LYS A 14 4.723 -5.732 9.651 1.00 71.31 H new ATOM 0 HD3 LYS A 14 5.264 -4.460 10.728 1.00 71.31 H new ATOM 0 HE2 LYS A 14 3.090 -6.528 11.284 1.00 61.33 H new ATOM 0 HE3 LYS A 14 4.656 -6.415 12.061 1.00 61.33 H new ATOM 0 HZ1 LYS A 14 3.025 -5.503 13.510 1.00 52.33 H new ATOM 0 HZ2 LYS A 14 3.960 -4.208 12.933 1.00 52.33 H new ATOM 0 HZ3 LYS A 14 2.408 -4.483 12.301 1.00 52.33 H new ATOM 266 N ILE A 15 2.977 -2.228 5.455 1.00 2.13 N ATOM 267 CA ILE A 15 3.289 -1.469 4.210 1.00 71.51 C ATOM 268 C ILE A 15 2.478 -0.153 4.191 1.00 0.03 C ATOM 269 O ILE A 15 3.037 0.935 4.052 1.00 51.31 O ATOM 270 CB ILE A 15 2.955 -2.269 2.891 1.00 41.11 C ATOM 271 CG1 ILE A 15 3.653 -3.658 2.872 1.00 11.32 C ATOM 272 CG2 ILE A 15 3.336 -1.446 1.626 1.00 21.32 C ATOM 273 CD1 ILE A 15 3.319 -4.514 1.662 1.00 74.33 C ATOM 0 H ILE A 15 2.593 -3.159 5.294 1.00 2.13 H new ATOM 0 HA ILE A 15 4.363 -1.282 4.225 1.00 71.51 H new ATOM 0 HB ILE A 15 1.878 -2.438 2.878 1.00 41.11 H new ATOM 0 HG12 ILE A 15 4.732 -3.509 2.909 1.00 11.32 H new ATOM 0 HG13 ILE A 15 3.375 -4.203 3.774 1.00 11.32 H new ATOM 0 HG21 ILE A 15 3.095 -2.021 0.732 1.00 21.32 H new ATOM 0 HG22 ILE A 15 2.776 -0.511 1.618 1.00 21.32 H new ATOM 0 HG23 ILE A 15 4.404 -1.229 1.641 1.00 21.32 H new ATOM 0 HD11 ILE A 15 3.849 -5.464 1.731 1.00 74.33 H new ATOM 0 HD12 ILE A 15 2.245 -4.699 1.632 1.00 74.33 H new ATOM 0 HD13 ILE A 15 3.623 -3.994 0.753 1.00 74.33 H new ATOM 285 N LEU A 16 1.154 -0.305 4.376 1.00 21.02 N ATOM 286 CA LEU A 16 0.181 0.808 4.386 1.00 4.23 C ATOM 287 C LEU A 16 0.481 1.830 5.513 1.00 60.03 C ATOM 288 O LEU A 16 0.443 3.031 5.282 1.00 72.33 O ATOM 289 CB LEU A 16 -1.271 0.251 4.516 1.00 54.12 C ATOM 290 CG LEU A 16 -1.961 -0.253 3.196 1.00 73.20 C ATOM 291 CD1 LEU A 16 -1.109 -1.286 2.422 1.00 22.03 C ATOM 292 CD2 LEU A 16 -3.363 -0.823 3.506 1.00 23.12 C ATOM 0 H LEU A 16 0.722 -1.217 4.525 1.00 21.02 H new ATOM 0 HA LEU A 16 0.274 1.339 3.439 1.00 4.23 H new ATOM 0 HB2 LEU A 16 -1.255 -0.575 5.227 1.00 54.12 H new ATOM 0 HB3 LEU A 16 -1.896 1.032 4.949 1.00 54.12 H new ATOM 0 HG LEU A 16 -2.060 0.614 2.543 1.00 73.20 H new ATOM 0 HD11 LEU A 16 -1.640 -1.594 1.522 1.00 22.03 H new ATOM 0 HD12 LEU A 16 -0.155 -0.837 2.145 1.00 22.03 H new ATOM 0 HD13 LEU A 16 -0.930 -2.156 3.053 1.00 22.03 H new ATOM 0 HD21 LEU A 16 -3.828 -1.168 2.582 1.00 23.12 H new ATOM 0 HD22 LEU A 16 -3.271 -1.659 4.200 1.00 23.12 H new ATOM 0 HD23 LEU A 16 -3.981 -0.045 3.955 1.00 23.12 H new ATOM 304 N ASP A 17 0.811 1.330 6.709 1.00 33.12 N ATOM 305 CA ASP A 17 1.051 2.179 7.897 1.00 75.01 C ATOM 306 C ASP A 17 2.368 2.993 7.771 1.00 33.54 C ATOM 307 O ASP A 17 2.431 4.154 8.193 1.00 42.42 O ATOM 308 CB ASP A 17 1.055 1.302 9.171 1.00 23.12 C ATOM 309 CG ASP A 17 1.120 2.124 10.470 1.00 61.23 C ATOM 310 OD1 ASP A 17 0.088 2.709 10.860 1.00 4.42 O ATOM 311 OD2 ASP A 17 2.194 2.192 11.101 1.00 51.22 O ATOM 0 H ASP A 17 0.921 0.332 6.888 1.00 33.12 H new ATOM 0 HA ASP A 17 0.241 2.905 7.968 1.00 75.01 H new ATOM 0 HB2 ASP A 17 0.156 0.685 9.183 1.00 23.12 H new ATOM 0 HB3 ASP A 17 1.907 0.623 9.135 1.00 23.12 H new ATOM 316 N GLU A 18 3.412 2.375 7.186 1.00 12.33 N ATOM 317 CA GLU A 18 4.707 3.056 6.951 1.00 5.25 C ATOM 318 C GLU A 18 4.617 4.086 5.802 1.00 4.20 C ATOM 319 O GLU A 18 5.255 5.138 5.868 1.00 72.20 O ATOM 320 CB GLU A 18 5.836 2.031 6.651 1.00 45.53 C ATOM 321 CG GLU A 18 6.126 1.018 7.775 1.00 63.43 C ATOM 322 CD GLU A 18 6.502 1.648 9.125 1.00 22.41 C ATOM 323 OE1 GLU A 18 7.674 2.038 9.299 1.00 34.10 O ATOM 324 OE2 GLU A 18 5.640 1.727 10.030 1.00 13.03 O ATOM 0 H GLU A 18 3.387 1.407 6.867 1.00 12.33 H new ATOM 0 HA GLU A 18 4.950 3.591 7.869 1.00 5.25 H new ATOM 0 HB2 GLU A 18 5.573 1.480 5.748 1.00 45.53 H new ATOM 0 HB3 GLU A 18 6.753 2.579 6.434 1.00 45.53 H new ATOM 0 HG2 GLU A 18 5.247 0.389 7.915 1.00 63.43 H new ATOM 0 HG3 GLU A 18 6.938 0.364 7.456 1.00 63.43 H new ATOM 331 N VAL A 19 3.839 3.768 4.740 1.00 61.33 N ATOM 332 CA VAL A 19 3.718 4.647 3.551 1.00 52.12 C ATOM 333 C VAL A 19 2.768 5.853 3.805 1.00 64.44 C ATOM 334 O VAL A 19 2.981 6.924 3.240 1.00 1.14 O ATOM 335 CB VAL A 19 3.308 3.850 2.249 1.00 72.30 C ATOM 336 CG1 VAL A 19 1.856 3.356 2.287 1.00 61.21 C ATOM 337 CG2 VAL A 19 3.598 4.671 0.975 1.00 65.42 C ATOM 0 H VAL A 19 3.287 2.912 4.682 1.00 61.33 H new ATOM 0 HA VAL A 19 4.714 5.053 3.373 1.00 52.12 H new ATOM 0 HB VAL A 19 3.932 2.957 2.220 1.00 72.30 H new ATOM 0 HG11 VAL A 19 1.631 2.816 1.367 1.00 61.21 H new ATOM 0 HG12 VAL A 19 1.720 2.692 3.140 1.00 61.21 H new ATOM 0 HG13 VAL A 19 1.184 4.209 2.380 1.00 61.21 H new ATOM 0 HG21 VAL A 19 3.305 4.096 0.097 1.00 65.42 H new ATOM 0 HG22 VAL A 19 3.031 5.601 1.005 1.00 65.42 H new ATOM 0 HG23 VAL A 19 4.663 4.897 0.922 1.00 65.42 H new ATOM 347 N THR A 20 1.736 5.678 4.669 1.00 21.22 N ATOM 348 CA THR A 20 0.837 6.797 5.080 1.00 34.25 C ATOM 349 C THR A 20 1.629 7.876 5.848 1.00 51.52 C ATOM 350 O THR A 20 1.665 9.037 5.446 1.00 43.31 O ATOM 351 CB THR A 20 -0.355 6.323 5.990 1.00 61.23 C ATOM 352 OG1 THR A 20 0.139 5.519 7.071 1.00 65.20 O ATOM 353 CG2 THR A 20 -1.436 5.551 5.214 1.00 54.03 C ATOM 0 H THR A 20 1.503 4.781 5.094 1.00 21.22 H new ATOM 0 HA THR A 20 0.425 7.203 4.156 1.00 34.25 H new ATOM 0 HB THR A 20 -0.828 7.224 6.380 1.00 61.23 H new ATOM 0 HG1 THR A 20 0.401 4.638 6.730 1.00 65.20 H new ATOM 0 HG21 THR A 20 -2.231 5.251 5.897 1.00 54.03 H new ATOM 0 HG22 THR A 20 -1.850 6.190 4.434 1.00 54.03 H new ATOM 0 HG23 THR A 20 -0.994 4.664 4.760 1.00 54.03 H new ATOM 361 N ASP A 21 2.296 7.455 6.935 1.00 22.33 N ATOM 362 CA ASP A 21 3.102 8.357 7.786 1.00 61.32 C ATOM 363 C ASP A 21 4.393 8.822 7.051 1.00 3.33 C ATOM 364 O ASP A 21 4.900 9.918 7.299 1.00 52.11 O ATOM 365 CB ASP A 21 3.440 7.642 9.121 1.00 11.01 C ATOM 366 CG ASP A 21 4.130 8.554 10.148 1.00 33.53 C ATOM 367 OD1 ASP A 21 3.425 9.314 10.848 1.00 73.34 O ATOM 368 OD2 ASP A 21 5.378 8.534 10.252 1.00 74.41 O ATOM 0 H ASP A 21 2.294 6.485 7.251 1.00 22.33 H new ATOM 0 HA ASP A 21 2.519 9.252 8.003 1.00 61.32 H new ATOM 0 HB2 ASP A 21 2.521 7.249 9.556 1.00 11.01 H new ATOM 0 HB3 ASP A 21 4.085 6.788 8.913 1.00 11.01 H new ATOM 373 N GLY A 22 4.896 7.972 6.139 1.00 31.31 N ATOM 374 CA GLY A 22 6.092 8.273 5.336 1.00 41.43 C ATOM 375 C GLY A 22 5.828 9.179 4.121 1.00 64.22 C ATOM 376 O GLY A 22 6.768 9.756 3.577 1.00 74.51 O ATOM 0 H GLY A 22 4.486 7.060 5.939 1.00 31.31 H new ATOM 0 HA2 GLY A 22 6.834 8.750 5.976 1.00 41.43 H new ATOM 0 HA3 GLY A 22 6.527 7.336 4.988 1.00 41.43 H new ATOM 380 N ALA A 23 4.550 9.281 3.691 1.00 52.54 N ATOM 381 CA ALA A 23 4.118 10.149 2.560 1.00 2.12 C ATOM 382 C ALA A 23 4.547 11.636 2.743 1.00 54.51 C ATOM 383 O ALA A 23 4.393 12.182 3.839 1.00 21.05 O ATOM 384 CB ALA A 23 2.601 10.066 2.400 1.00 24.52 C ATOM 0 H ALA A 23 3.782 8.763 4.118 1.00 52.54 H new ATOM 0 HA ALA A 23 4.615 9.780 1.663 1.00 2.12 H new ATOM 0 HB1 ALA A 23 2.287 10.702 1.572 1.00 24.52 H new ATOM 0 HB2 ALA A 23 2.313 9.035 2.195 1.00 24.52 H new ATOM 0 HB3 ALA A 23 2.119 10.402 3.318 1.00 24.52 H new ATOM 390 N PRO A 24 5.080 12.313 1.672 1.00 51.31 N ATOM 391 CA PRO A 24 5.591 13.714 1.769 1.00 32.14 C ATOM 392 C PRO A 24 4.510 14.770 2.156 1.00 14.44 C ATOM 393 O PRO A 24 4.527 15.299 3.274 1.00 41.33 O ATOM 394 CB PRO A 24 6.189 13.985 0.355 1.00 43.54 C ATOM 395 CG PRO A 24 6.400 12.621 -0.233 1.00 11.44 C ATOM 396 CD PRO A 24 5.267 11.777 0.295 1.00 63.53 C ATOM 0 HA PRO A 24 6.317 13.811 2.576 1.00 32.14 H new ATOM 0 HB2 PRO A 24 5.509 14.579 -0.256 1.00 43.54 H new ATOM 0 HB3 PRO A 24 7.126 14.538 0.420 1.00 43.54 H new ATOM 0 HG2 PRO A 24 6.389 12.657 -1.322 1.00 11.44 H new ATOM 0 HG3 PRO A 24 7.366 12.211 0.062 1.00 11.44 H new ATOM 0 HD2 PRO A 24 4.366 11.885 -0.308 1.00 63.53 H new ATOM 0 HD3 PRO A 24 5.520 10.717 0.303 1.00 63.53 H new ATOM 404 N ASP A 25 3.567 15.071 1.231 1.00 14.22 N ATOM 405 CA ASP A 25 2.562 16.155 1.421 1.00 73.13 C ATOM 406 C ASP A 25 1.109 15.649 1.171 1.00 54.40 C ATOM 407 O ASP A 25 0.668 14.737 1.869 1.00 52.31 O ATOM 408 CB ASP A 25 2.939 17.375 0.530 1.00 21.14 C ATOM 409 CG ASP A 25 4.293 18.000 0.907 1.00 30.14 C ATOM 410 OD1 ASP A 25 4.332 18.828 1.841 1.00 33.42 O ATOM 411 OD2 ASP A 25 5.323 17.638 0.296 1.00 10.11 O ATOM 0 H ASP A 25 3.478 14.579 0.342 1.00 14.22 H new ATOM 0 HA ASP A 25 2.581 16.480 2.461 1.00 73.13 H new ATOM 0 HB2 ASP A 25 2.968 17.061 -0.513 1.00 21.14 H new ATOM 0 HB3 ASP A 25 2.160 18.133 0.613 1.00 21.14 H new ATOM 416 N GLU A 26 0.380 16.213 0.160 1.00 72.21 N ATOM 417 CA GLU A 26 -1.043 15.862 -0.125 1.00 14.43 C ATOM 418 C GLU A 26 -1.200 14.443 -0.733 1.00 4.11 C ATOM 419 O GLU A 26 -2.325 13.970 -0.928 1.00 45.45 O ATOM 420 CB GLU A 26 -1.684 16.915 -1.065 1.00 42.22 C ATOM 421 CG GLU A 26 -1.026 17.021 -2.455 1.00 71.45 C ATOM 422 CD GLU A 26 -1.634 18.130 -3.323 1.00 23.05 C ATOM 423 OE1 GLU A 26 -2.660 17.883 -3.989 1.00 71.05 O ATOM 424 OE2 GLU A 26 -1.095 19.258 -3.337 1.00 20.40 O ATOM 0 H GLU A 26 0.760 16.917 -0.473 1.00 72.21 H new ATOM 0 HA GLU A 26 -1.563 15.862 0.833 1.00 14.43 H new ATOM 0 HB2 GLU A 26 -2.739 16.673 -1.195 1.00 42.22 H new ATOM 0 HB3 GLU A 26 -1.638 17.890 -0.581 1.00 42.22 H new ATOM 0 HG2 GLU A 26 0.041 17.207 -2.333 1.00 71.45 H new ATOM 0 HG3 GLU A 26 -1.126 16.067 -2.972 1.00 71.45 H new ATOM 431 N ALA A 27 -0.061 13.778 -1.032 1.00 31.12 N ATOM 432 CA ALA A 27 -0.025 12.336 -1.368 1.00 13.31 C ATOM 433 C ALA A 27 -0.572 11.482 -0.195 1.00 14.10 C ATOM 434 O ALA A 27 -1.134 10.422 -0.423 1.00 13.00 O ATOM 435 CB ALA A 27 1.413 11.895 -1.735 1.00 2.00 C ATOM 0 H ALA A 27 0.856 14.224 -1.047 1.00 31.12 H new ATOM 0 HA ALA A 27 -0.666 12.176 -2.235 1.00 13.31 H new ATOM 0 HB1 ALA A 27 1.417 10.833 -1.978 1.00 2.00 H new ATOM 0 HB2 ALA A 27 1.760 12.466 -2.596 1.00 2.00 H new ATOM 0 HB3 ALA A 27 2.076 12.076 -0.889 1.00 2.00 H new ATOM 441 N ARG A 28 -0.494 12.031 1.045 1.00 0.45 N ATOM 442 CA ARG A 28 -0.840 11.312 2.294 1.00 42.21 C ATOM 443 C ARG A 28 -2.359 11.152 2.391 1.00 43.35 C ATOM 444 O ARG A 28 -2.859 10.179 2.930 1.00 13.33 O ATOM 445 CB ARG A 28 -0.287 12.079 3.531 1.00 73.54 C ATOM 446 CG ARG A 28 -0.496 11.373 4.892 1.00 5.01 C ATOM 447 CD ARG A 28 0.251 12.067 6.052 1.00 72.42 C ATOM 448 NE ARG A 28 -0.314 13.385 6.395 1.00 1.53 N ATOM 449 CZ ARG A 28 0.269 14.285 7.170 1.00 4.44 C ATOM 450 NH1 ARG A 28 1.451 14.098 7.668 1.00 53.55 N ATOM 451 NH2 ARG A 28 -0.350 15.386 7.434 1.00 14.33 N ATOM 0 H ARG A 28 -0.187 12.991 1.204 1.00 0.45 H new ATOM 0 HA ARG A 28 -0.382 10.323 2.277 1.00 42.21 H new ATOM 0 HB2 ARG A 28 0.780 12.247 3.387 1.00 73.54 H new ATOM 0 HB3 ARG A 28 -0.761 13.060 3.572 1.00 73.54 H new ATOM 0 HG2 ARG A 28 -1.562 11.343 5.120 1.00 5.01 H new ATOM 0 HG3 ARG A 28 -0.157 10.340 4.815 1.00 5.01 H new ATOM 0 HD2 ARG A 28 0.221 11.425 6.932 1.00 72.42 H new ATOM 0 HD3 ARG A 28 1.300 12.187 5.781 1.00 72.42 H new ATOM 0 HE ARG A 28 -1.226 13.622 6.004 1.00 1.53 H new ATOM 0 HH11 ARG A 28 1.959 13.237 7.466 1.00 53.55 H new ATOM 0 HH12 ARG A 28 1.873 14.812 8.262 1.00 53.55 H new ATOM 0 HH21 ARG A 28 -1.278 15.555 7.046 1.00 14.33 H new ATOM 0 HH22 ARG A 28 0.089 16.088 8.030 1.00 14.33 H new ATOM 465 N GLU A 29 -3.056 12.132 1.818 1.00 21.02 N ATOM 466 CA GLU A 29 -4.519 12.178 1.720 1.00 60.32 C ATOM 467 C GLU A 29 -5.045 10.988 0.867 1.00 65.30 C ATOM 468 O GLU A 29 -6.010 10.311 1.247 1.00 44.05 O ATOM 469 CB GLU A 29 -4.888 13.558 1.109 1.00 25.12 C ATOM 470 CG GLU A 29 -6.330 14.050 1.329 1.00 0.32 C ATOM 471 CD GLU A 29 -7.406 13.288 0.522 1.00 65.12 C ATOM 472 OE1 GLU A 29 -7.326 13.276 -0.723 1.00 64.43 O ATOM 473 OE2 GLU A 29 -8.337 12.708 1.124 1.00 60.12 O ATOM 0 H GLU A 29 -2.606 12.943 1.395 1.00 21.02 H new ATOM 0 HA GLU A 29 -4.990 12.075 2.697 1.00 60.32 H new ATOM 0 HB2 GLU A 29 -4.208 14.304 1.519 1.00 25.12 H new ATOM 0 HB3 GLU A 29 -4.704 13.515 0.036 1.00 25.12 H new ATOM 0 HG2 GLU A 29 -6.568 13.971 2.390 1.00 0.32 H new ATOM 0 HG3 GLU A 29 -6.382 15.107 1.069 1.00 0.32 H new ATOM 480 N ARG A 30 -4.377 10.750 -0.281 1.00 12.04 N ATOM 481 CA ARG A 30 -4.636 9.585 -1.154 1.00 31.55 C ATOM 482 C ARG A 30 -4.433 8.253 -0.387 1.00 3.23 C ATOM 483 O ARG A 30 -5.269 7.342 -0.480 1.00 14.32 O ATOM 484 CB ARG A 30 -3.691 9.633 -2.397 1.00 32.50 C ATOM 485 CG ARG A 30 -3.836 8.451 -3.397 1.00 1.14 C ATOM 486 CD ARG A 30 -5.141 8.487 -4.215 1.00 65.13 C ATOM 487 NE ARG A 30 -5.156 9.604 -5.173 1.00 52.03 N ATOM 488 CZ ARG A 30 -6.056 9.794 -6.115 1.00 15.22 C ATOM 489 NH1 ARG A 30 -7.073 8.997 -6.265 1.00 23.24 N ATOM 490 NH2 ARG A 30 -5.924 10.800 -6.910 1.00 65.41 N ATOM 0 H ARG A 30 -3.640 11.363 -0.630 1.00 12.04 H new ATOM 0 HA ARG A 30 -5.674 9.631 -1.484 1.00 31.55 H new ATOM 0 HB2 ARG A 30 -3.873 10.564 -2.934 1.00 32.50 H new ATOM 0 HB3 ARG A 30 -2.660 9.664 -2.046 1.00 32.50 H new ATOM 0 HG2 ARG A 30 -2.988 8.460 -4.082 1.00 1.14 H new ATOM 0 HG3 ARG A 30 -3.790 7.512 -2.845 1.00 1.14 H new ATOM 0 HD2 ARG A 30 -5.259 7.546 -4.752 1.00 65.13 H new ATOM 0 HD3 ARG A 30 -5.991 8.577 -3.539 1.00 65.13 H new ATOM 0 HE ARG A 30 -4.405 10.290 -5.101 1.00 52.03 H new ATOM 0 HH11 ARG A 30 -7.190 8.197 -5.643 1.00 23.24 H new ATOM 0 HH12 ARG A 30 -7.753 9.172 -7.005 1.00 23.24 H new ATOM 0 HH21 ARG A 30 -5.132 11.434 -6.804 1.00 65.41 H new ATOM 0 HH22 ARG A 30 -6.612 10.962 -7.645 1.00 65.41 H new ATOM 504 N ILE A 31 -3.329 8.167 0.391 1.00 31.20 N ATOM 505 CA ILE A 31 -2.943 6.912 1.075 1.00 73.33 C ATOM 506 C ILE A 31 -3.857 6.610 2.290 1.00 62.23 C ATOM 507 O ILE A 31 -4.225 5.467 2.485 1.00 3.31 O ATOM 508 CB ILE A 31 -1.428 6.873 1.540 1.00 11.43 C ATOM 509 CG1 ILE A 31 -0.505 7.588 0.514 1.00 23.34 C ATOM 510 CG2 ILE A 31 -0.982 5.404 1.746 1.00 15.32 C ATOM 511 CD1 ILE A 31 0.988 7.386 0.686 1.00 34.12 C ATOM 0 H ILE A 31 -2.694 8.947 0.560 1.00 31.20 H new ATOM 0 HA ILE A 31 -3.073 6.139 0.318 1.00 73.33 H new ATOM 0 HB ILE A 31 -1.343 7.408 2.486 1.00 11.43 H new ATOM 0 HG12 ILE A 31 -0.781 7.251 -0.485 1.00 23.34 H new ATOM 0 HG13 ILE A 31 -0.711 8.657 0.558 1.00 23.34 H new ATOM 0 HG21 ILE A 31 0.060 5.381 2.066 1.00 15.32 H new ATOM 0 HG22 ILE A 31 -1.606 4.938 2.509 1.00 15.32 H new ATOM 0 HG23 ILE A 31 -1.086 4.857 0.809 1.00 15.32 H new ATOM 0 HD11 ILE A 31 1.521 7.935 -0.090 1.00 34.12 H new ATOM 0 HD12 ILE A 31 1.294 7.753 1.666 1.00 34.12 H new ATOM 0 HD13 ILE A 31 1.223 6.325 0.606 1.00 34.12 H new ATOM 523 N GLU A 32 -4.212 7.648 3.087 1.00 2.44 N ATOM 524 CA GLU A 32 -5.098 7.502 4.289 1.00 0.33 C ATOM 525 C GLU A 32 -6.484 6.942 3.887 1.00 12.44 C ATOM 526 O GLU A 32 -7.023 6.025 4.528 1.00 22.13 O ATOM 527 CB GLU A 32 -5.271 8.881 5.006 1.00 51.20 C ATOM 528 CG GLU A 32 -4.027 9.412 5.758 1.00 63.24 C ATOM 529 CD GLU A 32 -3.802 8.752 7.131 1.00 41.25 C ATOM 530 OE1 GLU A 32 -3.151 7.695 7.205 1.00 13.44 O ATOM 531 OE2 GLU A 32 -4.289 9.293 8.150 1.00 53.51 O ATOM 0 H GLU A 32 -3.900 8.605 2.924 1.00 2.44 H new ATOM 0 HA GLU A 32 -4.625 6.799 4.975 1.00 0.33 H new ATOM 0 HB2 GLU A 32 -5.565 9.621 4.262 1.00 51.20 H new ATOM 0 HB3 GLU A 32 -6.094 8.799 5.716 1.00 51.20 H new ATOM 0 HG2 GLU A 32 -3.144 9.252 5.139 1.00 63.24 H new ATOM 0 HG3 GLU A 32 -4.129 10.489 5.895 1.00 63.24 H new ATOM 538 N LYS A 33 -7.036 7.517 2.805 1.00 0.20 N ATOM 539 CA LYS A 33 -8.333 7.121 2.229 1.00 63.04 C ATOM 540 C LYS A 33 -8.305 5.650 1.728 1.00 41.51 C ATOM 541 O LYS A 33 -9.100 4.808 2.169 1.00 51.22 O ATOM 542 CB LYS A 33 -8.663 8.082 1.053 1.00 4.23 C ATOM 543 CG LYS A 33 -10.034 7.856 0.371 1.00 60.25 C ATOM 544 CD LYS A 33 -10.226 8.747 -0.884 1.00 64.24 C ATOM 545 CE LYS A 33 -10.102 10.255 -0.587 1.00 72.42 C ATOM 546 NZ LYS A 33 -10.263 11.080 -1.816 1.00 5.23 N ATOM 0 H LYS A 33 -6.588 8.281 2.299 1.00 0.20 H new ATOM 0 HA LYS A 33 -9.101 7.187 2.999 1.00 63.04 H new ATOM 0 HB2 LYS A 33 -8.626 9.107 1.423 1.00 4.23 H new ATOM 0 HB3 LYS A 33 -7.882 7.987 0.299 1.00 4.23 H new ATOM 0 HG2 LYS A 33 -10.126 6.808 0.086 1.00 60.25 H new ATOM 0 HG3 LYS A 33 -10.830 8.064 1.086 1.00 60.25 H new ATOM 0 HD2 LYS A 33 -9.486 8.470 -1.634 1.00 64.24 H new ATOM 0 HD3 LYS A 33 -11.207 8.548 -1.315 1.00 64.24 H new ATOM 0 HE2 LYS A 33 -10.856 10.544 0.145 1.00 72.42 H new ATOM 0 HE3 LYS A 33 -9.129 10.458 -0.139 1.00 72.42 H new ATOM 0 HZ1 LYS A 33 -10.173 12.087 -1.572 1.00 5.23 H new ATOM 0 HZ2 LYS A 33 -9.528 10.823 -2.505 1.00 5.23 H new ATOM 0 HZ3 LYS A 33 -11.201 10.907 -2.230 1.00 5.23 H new ATOM 560 N LEU A 34 -7.339 5.353 0.842 1.00 62.03 N ATOM 561 CA LEU A 34 -7.241 4.038 0.165 1.00 65.13 C ATOM 562 C LEU A 34 -6.751 2.914 1.121 1.00 71.21 C ATOM 563 O LEU A 34 -7.074 1.739 0.919 1.00 52.52 O ATOM 564 CB LEU A 34 -6.328 4.166 -1.083 1.00 33.40 C ATOM 565 CG LEU A 34 -6.233 2.906 -2.006 1.00 21.21 C ATOM 566 CD1 LEU A 34 -7.629 2.416 -2.448 1.00 53.43 C ATOM 567 CD2 LEU A 34 -5.332 3.182 -3.229 1.00 61.22 C ATOM 0 H LEU A 34 -6.606 6.009 0.573 1.00 62.03 H new ATOM 0 HA LEU A 34 -8.241 3.743 -0.154 1.00 65.13 H new ATOM 0 HB2 LEU A 34 -6.684 5.003 -1.683 1.00 33.40 H new ATOM 0 HB3 LEU A 34 -5.323 4.420 -0.747 1.00 33.40 H new ATOM 0 HG LEU A 34 -5.776 2.108 -1.421 1.00 21.21 H new ATOM 0 HD11 LEU A 34 -7.521 1.540 -3.087 1.00 53.43 H new ATOM 0 HD12 LEU A 34 -8.218 2.154 -1.569 1.00 53.43 H new ATOM 0 HD13 LEU A 34 -8.135 3.208 -3.000 1.00 53.43 H new ATOM 0 HD21 LEU A 34 -5.283 2.290 -3.854 1.00 61.22 H new ATOM 0 HD22 LEU A 34 -5.746 4.008 -3.807 1.00 61.22 H new ATOM 0 HD23 LEU A 34 -4.329 3.443 -2.891 1.00 61.22 H new ATOM 579 N ALA A 35 -5.996 3.287 2.172 1.00 34.04 N ATOM 580 CA ALA A 35 -5.564 2.341 3.228 1.00 71.13 C ATOM 581 C ALA A 35 -6.779 1.815 4.007 1.00 3.30 C ATOM 582 O ALA A 35 -6.893 0.613 4.228 1.00 24.32 O ATOM 583 CB ALA A 35 -4.551 2.979 4.196 1.00 31.33 C ATOM 0 H ALA A 35 -5.669 4.242 2.316 1.00 34.04 H new ATOM 0 HA ALA A 35 -5.066 1.508 2.731 1.00 71.13 H new ATOM 0 HB1 ALA A 35 -4.262 2.250 4.953 1.00 31.33 H new ATOM 0 HB2 ALA A 35 -3.668 3.296 3.642 1.00 31.33 H new ATOM 0 HB3 ALA A 35 -5.005 3.844 4.680 1.00 31.33 H new ATOM 589 N LYS A 36 -7.697 2.742 4.390 1.00 44.35 N ATOM 590 CA LYS A 36 -8.943 2.393 5.121 1.00 62.34 C ATOM 591 C LYS A 36 -9.893 1.525 4.253 1.00 54.32 C ATOM 592 O LYS A 36 -10.637 0.679 4.776 1.00 14.24 O ATOM 593 CB LYS A 36 -9.664 3.674 5.632 1.00 24.23 C ATOM 594 CG LYS A 36 -10.845 3.382 6.592 1.00 15.15 C ATOM 595 CD LYS A 36 -11.532 4.657 7.142 1.00 35.04 C ATOM 596 CE LYS A 36 -12.717 4.336 8.073 1.00 43.32 C ATOM 597 NZ LYS A 36 -13.817 3.627 7.359 1.00 72.45 N ATOM 0 H LYS A 36 -7.596 3.740 4.203 1.00 44.35 H new ATOM 0 HA LYS A 36 -8.659 1.795 5.987 1.00 62.34 H new ATOM 0 HB2 LYS A 36 -8.940 4.309 6.143 1.00 24.23 H new ATOM 0 HB3 LYS A 36 -10.034 4.238 4.776 1.00 24.23 H new ATOM 0 HG2 LYS A 36 -11.586 2.778 6.068 1.00 15.15 H new ATOM 0 HG3 LYS A 36 -10.482 2.786 7.429 1.00 15.15 H new ATOM 0 HD2 LYS A 36 -10.800 5.255 7.685 1.00 35.04 H new ATOM 0 HD3 LYS A 36 -11.884 5.264 6.308 1.00 35.04 H new ATOM 0 HE2 LYS A 36 -12.369 3.721 8.903 1.00 43.32 H new ATOM 0 HE3 LYS A 36 -13.101 5.262 8.502 1.00 43.32 H new ATOM 0 HZ1 LYS A 36 -14.645 3.552 7.984 1.00 72.45 H new ATOM 0 HZ2 LYS A 36 -14.076 4.160 6.504 1.00 72.45 H new ATOM 0 HZ3 LYS A 36 -13.499 2.674 7.090 1.00 72.45 H new ATOM 611 N ASP A 37 -9.834 1.731 2.927 1.00 22.22 N ATOM 612 CA ASP A 37 -10.555 0.901 1.938 1.00 61.14 C ATOM 613 C ASP A 37 -10.043 -0.571 1.981 1.00 33.00 C ATOM 614 O ASP A 37 -10.838 -1.516 1.968 1.00 63.33 O ATOM 615 CB ASP A 37 -10.372 1.534 0.531 1.00 3.15 C ATOM 616 CG ASP A 37 -11.176 0.889 -0.615 1.00 4.42 C ATOM 617 OD1 ASP A 37 -12.215 0.237 -0.365 1.00 63.52 O ATOM 618 OD2 ASP A 37 -10.788 1.075 -1.793 1.00 0.23 O ATOM 0 H ASP A 37 -9.284 2.480 2.506 1.00 22.22 H new ATOM 0 HA ASP A 37 -11.618 0.873 2.176 1.00 61.14 H new ATOM 0 HB2 ASP A 37 -10.646 2.587 0.591 1.00 3.15 H new ATOM 0 HB3 ASP A 37 -9.314 1.494 0.272 1.00 3.15 H new ATOM 623 N VAL A 38 -8.699 -0.741 2.062 1.00 24.20 N ATOM 624 CA VAL A 38 -8.060 -2.076 2.178 1.00 62.20 C ATOM 625 C VAL A 38 -8.377 -2.745 3.548 1.00 12.14 C ATOM 626 O VAL A 38 -8.602 -3.958 3.596 1.00 21.22 O ATOM 627 CB VAL A 38 -6.495 -2.008 1.966 1.00 22.10 C ATOM 628 CG1 VAL A 38 -5.830 -3.406 2.072 1.00 55.33 C ATOM 629 CG2 VAL A 38 -6.127 -1.342 0.615 1.00 44.44 C ATOM 0 H VAL A 38 -8.035 0.033 2.049 1.00 24.20 H new ATOM 0 HA VAL A 38 -8.485 -2.687 1.382 1.00 62.20 H new ATOM 0 HB VAL A 38 -6.104 -1.388 2.773 1.00 22.10 H new ATOM 0 HG11 VAL A 38 -4.755 -3.310 1.920 1.00 55.33 H new ATOM 0 HG12 VAL A 38 -6.020 -3.826 3.060 1.00 55.33 H new ATOM 0 HG13 VAL A 38 -6.247 -4.066 1.311 1.00 55.33 H new ATOM 0 HG21 VAL A 38 -5.043 -1.314 0.507 1.00 44.44 H new ATOM 0 HG22 VAL A 38 -6.559 -1.917 -0.204 1.00 44.44 H new ATOM 0 HG23 VAL A 38 -6.520 -0.326 0.591 1.00 44.44 H new ATOM 639 N LYS A 39 -8.411 -1.932 4.648 1.00 31.05 N ATOM 640 CA LYS A 39 -8.718 -2.427 6.030 1.00 52.13 C ATOM 641 C LYS A 39 -10.033 -3.244 6.041 1.00 11.42 C ATOM 642 O LYS A 39 -10.070 -4.373 6.518 1.00 2.52 O ATOM 643 CB LYS A 39 -8.872 -1.259 7.065 1.00 3.45 C ATOM 644 CG LYS A 39 -7.709 -0.250 7.162 1.00 0.41 C ATOM 645 CD LYS A 39 -6.376 -0.854 7.607 1.00 74.45 C ATOM 646 CE LYS A 39 -5.241 0.193 7.667 1.00 42.30 C ATOM 647 NZ LYS A 39 -3.949 -0.404 8.104 1.00 2.15 N ATOM 0 H LYS A 39 -8.229 -0.929 4.605 1.00 31.05 H new ATOM 0 HA LYS A 39 -7.872 -3.050 6.320 1.00 52.13 H new ATOM 0 HB2 LYS A 39 -9.779 -0.707 6.820 1.00 3.45 H new ATOM 0 HB3 LYS A 39 -9.022 -1.698 8.051 1.00 3.45 H new ATOM 0 HG2 LYS A 39 -7.572 0.221 6.189 1.00 0.41 H new ATOM 0 HG3 LYS A 39 -7.987 0.538 7.861 1.00 0.41 H new ATOM 0 HD2 LYS A 39 -6.498 -1.310 8.590 1.00 74.45 H new ATOM 0 HD3 LYS A 39 -6.094 -1.651 6.919 1.00 74.45 H new ATOM 0 HE2 LYS A 39 -5.116 0.647 6.684 1.00 42.30 H new ATOM 0 HE3 LYS A 39 -5.521 0.992 8.354 1.00 42.30 H new ATOM 0 HZ1 LYS A 39 -3.353 0.333 8.532 1.00 2.15 H new ATOM 0 HZ2 LYS A 39 -4.131 -1.151 8.804 1.00 2.15 H new ATOM 0 HZ3 LYS A 39 -3.459 -0.811 7.282 1.00 2.15 H new ATOM 661 N ASP A 40 -11.089 -2.643 5.462 1.00 52.21 N ATOM 662 CA ASP A 40 -12.447 -3.227 5.436 1.00 33.43 C ATOM 663 C ASP A 40 -12.479 -4.550 4.611 1.00 72.23 C ATOM 664 O ASP A 40 -13.109 -5.536 5.015 1.00 70.24 O ATOM 665 CB ASP A 40 -13.443 -2.172 4.868 1.00 42.51 C ATOM 666 CG ASP A 40 -14.892 -2.372 5.350 1.00 43.30 C ATOM 667 OD1 ASP A 40 -15.656 -3.126 4.717 1.00 42.43 O ATOM 668 OD2 ASP A 40 -15.267 -1.779 6.385 1.00 63.44 O ATOM 0 H ASP A 40 -11.027 -1.737 4.998 1.00 52.21 H new ATOM 0 HA ASP A 40 -12.747 -3.486 6.451 1.00 33.43 H new ATOM 0 HB2 ASP A 40 -13.107 -1.176 5.155 1.00 42.51 H new ATOM 0 HB3 ASP A 40 -13.422 -2.214 3.779 1.00 42.51 H new ATOM 673 N GLU A 41 -11.746 -4.551 3.481 1.00 33.15 N ATOM 674 CA GLU A 41 -11.636 -5.712 2.562 1.00 64.41 C ATOM 675 C GLU A 41 -10.912 -6.929 3.195 1.00 63.45 C ATOM 676 O GLU A 41 -11.116 -8.067 2.755 1.00 14.31 O ATOM 677 CB GLU A 41 -10.908 -5.282 1.265 1.00 41.13 C ATOM 678 CG GLU A 41 -11.672 -4.258 0.397 1.00 72.23 C ATOM 679 CD GLU A 41 -12.991 -4.801 -0.183 1.00 12.34 C ATOM 680 OE1 GLU A 41 -12.954 -5.810 -0.930 1.00 74.10 O ATOM 681 OE2 GLU A 41 -14.068 -4.229 0.101 1.00 65.12 O ATOM 0 H GLU A 41 -11.207 -3.742 3.173 1.00 33.15 H new ATOM 0 HA GLU A 41 -12.653 -6.036 2.339 1.00 64.41 H new ATOM 0 HB2 GLU A 41 -9.940 -4.858 1.533 1.00 41.13 H new ATOM 0 HB3 GLU A 41 -10.712 -6.170 0.665 1.00 41.13 H new ATOM 0 HG2 GLU A 41 -11.886 -3.374 0.997 1.00 72.23 H new ATOM 0 HG3 GLU A 41 -11.029 -3.938 -0.423 1.00 72.23 H new ATOM 688 N LEU A 42 -10.030 -6.679 4.189 1.00 12.13 N ATOM 689 CA LEU A 42 -9.314 -7.759 4.919 1.00 22.14 C ATOM 690 C LEU A 42 -10.291 -8.754 5.608 1.00 21.45 C ATOM 691 O LEU A 42 -10.015 -9.955 5.661 1.00 22.01 O ATOM 692 CB LEU A 42 -8.337 -7.179 5.975 1.00 1.23 C ATOM 693 CG LEU A 42 -7.186 -6.270 5.440 1.00 15.01 C ATOM 694 CD1 LEU A 42 -6.300 -5.764 6.592 1.00 32.31 C ATOM 695 CD2 LEU A 42 -6.334 -6.986 4.363 1.00 3.42 C ATOM 0 H LEU A 42 -9.794 -5.739 4.507 1.00 12.13 H new ATOM 0 HA LEU A 42 -8.744 -8.306 4.167 1.00 22.14 H new ATOM 0 HB2 LEU A 42 -8.918 -6.604 6.696 1.00 1.23 H new ATOM 0 HB3 LEU A 42 -7.889 -8.011 6.518 1.00 1.23 H new ATOM 0 HG LEU A 42 -7.654 -5.408 4.964 1.00 15.01 H new ATOM 0 HD11 LEU A 42 -5.507 -5.133 6.191 1.00 32.31 H new ATOM 0 HD12 LEU A 42 -6.906 -5.185 7.290 1.00 32.31 H new ATOM 0 HD13 LEU A 42 -5.859 -6.614 7.113 1.00 32.31 H new ATOM 0 HD21 LEU A 42 -5.545 -6.317 4.019 1.00 3.42 H new ATOM 0 HD22 LEU A 42 -5.888 -7.884 4.790 1.00 3.42 H new ATOM 0 HD23 LEU A 42 -6.969 -7.262 3.521 1.00 3.42 H new ATOM 707 N GLU A 43 -11.423 -8.236 6.128 1.00 51.13 N ATOM 708 CA GLU A 43 -12.486 -9.074 6.752 1.00 0.15 C ATOM 709 C GLU A 43 -13.176 -9.983 5.707 1.00 0.30 C ATOM 710 O GLU A 43 -13.306 -11.194 5.914 1.00 30.13 O ATOM 711 CB GLU A 43 -13.546 -8.179 7.475 1.00 41.42 C ATOM 712 CG GLU A 43 -13.110 -7.593 8.840 1.00 21.21 C ATOM 713 CD GLU A 43 -11.891 -6.658 8.771 1.00 12.04 C ATOM 714 OE1 GLU A 43 -12.044 -5.513 8.305 1.00 63.13 O ATOM 715 OE2 GLU A 43 -10.783 -7.060 9.197 1.00 11.25 O ATOM 0 H GLU A 43 -11.631 -7.238 6.131 1.00 51.13 H new ATOM 0 HA GLU A 43 -12.006 -9.714 7.492 1.00 0.15 H new ATOM 0 HB2 GLU A 43 -13.810 -7.354 6.814 1.00 41.42 H new ATOM 0 HB3 GLU A 43 -14.450 -8.768 7.625 1.00 41.42 H new ATOM 0 HG2 GLU A 43 -13.948 -7.046 9.271 1.00 21.21 H new ATOM 0 HG3 GLU A 43 -12.884 -8.415 9.519 1.00 21.21 H new ATOM 756 N ALA A 47 -8.595 -9.243 -0.791 1.00 23.43 N ATOM 757 CA ALA A 47 -7.392 -8.496 -0.357 1.00 32.51 C ATOM 758 C ALA A 47 -6.287 -8.476 -1.448 1.00 60.13 C ATOM 759 O ALA A 47 -5.616 -7.467 -1.607 1.00 70.12 O ATOM 760 CB ALA A 47 -6.854 -9.076 0.963 1.00 43.13 C ATOM 0 HA ALA A 47 -7.689 -7.460 -0.193 1.00 32.51 H new ATOM 0 HB1 ALA A 47 -5.970 -8.519 1.272 1.00 43.13 H new ATOM 0 HB2 ALA A 47 -7.620 -8.997 1.734 1.00 43.13 H new ATOM 0 HB3 ALA A 47 -6.590 -10.124 0.819 1.00 43.13 H new ATOM 766 N LYS A 48 -6.145 -9.590 -2.207 1.00 52.03 N ATOM 767 CA LYS A 48 -5.188 -9.696 -3.350 1.00 53.22 C ATOM 768 C LYS A 48 -5.484 -8.613 -4.421 1.00 63.20 C ATOM 769 O LYS A 48 -4.564 -7.976 -4.951 1.00 51.50 O ATOM 770 CB LYS A 48 -5.243 -11.145 -3.942 1.00 25.03 C ATOM 771 CG LYS A 48 -4.437 -11.425 -5.259 1.00 22.34 C ATOM 772 CD LYS A 48 -5.239 -11.132 -6.564 1.00 2.22 C ATOM 773 CE LYS A 48 -4.506 -11.570 -7.847 1.00 71.44 C ATOM 774 NZ LYS A 48 -3.209 -10.863 -8.038 1.00 22.41 N ATOM 0 H LYS A 48 -6.686 -10.441 -2.050 1.00 52.03 H new ATOM 0 HA LYS A 48 -4.174 -9.513 -2.995 1.00 53.22 H new ATOM 0 HB2 LYS A 48 -4.885 -11.834 -3.177 1.00 25.03 H new ATOM 0 HB3 LYS A 48 -6.288 -11.391 -4.129 1.00 25.03 H new ATOM 0 HG2 LYS A 48 -3.532 -10.817 -5.256 1.00 22.34 H new ATOM 0 HG3 LYS A 48 -4.120 -12.468 -5.265 1.00 22.34 H new ATOM 0 HD2 LYS A 48 -6.201 -11.642 -6.512 1.00 2.22 H new ATOM 0 HD3 LYS A 48 -5.448 -10.064 -6.621 1.00 2.22 H new ATOM 0 HE2 LYS A 48 -4.327 -12.645 -7.810 1.00 71.44 H new ATOM 0 HE3 LYS A 48 -5.147 -11.383 -8.709 1.00 71.44 H new ATOM 0 HZ1 LYS A 48 -2.711 -11.266 -8.857 1.00 22.41 H new ATOM 0 HZ2 LYS A 48 -3.386 -9.852 -8.203 1.00 22.41 H new ATOM 0 HZ3 LYS A 48 -2.623 -10.977 -7.187 1.00 22.41 H new ATOM 788 N ASN A 49 -6.785 -8.418 -4.712 1.00 73.15 N ATOM 789 CA ASN A 49 -7.272 -7.376 -5.644 1.00 52.44 C ATOM 790 C ASN A 49 -6.930 -5.963 -5.114 1.00 72.04 C ATOM 791 O ASN A 49 -6.624 -5.057 -5.890 1.00 12.22 O ATOM 792 CB ASN A 49 -8.803 -7.520 -5.839 1.00 33.03 C ATOM 793 CG ASN A 49 -9.389 -6.569 -6.887 1.00 41.33 C ATOM 794 OD1 ASN A 49 -9.826 -5.465 -6.572 1.00 22.30 O ATOM 795 ND2 ASN A 49 -9.394 -6.984 -8.141 1.00 4.24 N ATOM 0 H ASN A 49 -7.533 -8.980 -4.306 1.00 73.15 H new ATOM 0 HA ASN A 49 -6.775 -7.508 -6.605 1.00 52.44 H new ATOM 0 HB2 ASN A 49 -9.027 -8.547 -6.129 1.00 33.03 H new ATOM 0 HB3 ASN A 49 -9.299 -7.343 -4.885 1.00 33.03 H new ATOM 0 HD21 ASN A 49 -9.767 -6.383 -8.876 1.00 4.24 H new ATOM 0 HD22 ASN A 49 -9.025 -7.906 -8.375 1.00 4.24 H new ATOM 802 N MET A 50 -6.982 -5.811 -3.786 1.00 71.41 N ATOM 803 CA MET A 50 -6.675 -4.546 -3.095 1.00 73.20 C ATOM 804 C MET A 50 -5.171 -4.225 -3.081 1.00 13.12 C ATOM 805 O MET A 50 -4.807 -3.059 -3.078 1.00 1.24 O ATOM 806 CB MET A 50 -7.236 -4.578 -1.661 1.00 34.52 C ATOM 807 CG MET A 50 -8.753 -4.713 -1.622 1.00 50.22 C ATOM 808 SD MET A 50 -9.598 -3.356 -2.467 1.00 15.21 S ATOM 809 CE MET A 50 -9.089 -1.960 -1.466 1.00 50.41 C ATOM 0 H MET A 50 -7.240 -6.567 -3.152 1.00 71.41 H new ATOM 0 HA MET A 50 -7.158 -3.747 -3.657 1.00 73.20 H new ATOM 0 HB2 MET A 50 -6.788 -5.411 -1.119 1.00 34.52 H new ATOM 0 HB3 MET A 50 -6.944 -3.666 -1.141 1.00 34.52 H new ATOM 0 HG2 MET A 50 -9.041 -5.658 -2.083 1.00 50.22 H new ATOM 0 HG3 MET A 50 -9.083 -4.751 -0.584 1.00 50.22 H new ATOM 0 HE1 MET A 50 -9.653 -1.075 -1.762 1.00 50.41 H new ATOM 0 HE2 MET A 50 -9.279 -2.177 -0.415 1.00 50.41 H new ATOM 0 HE3 MET A 50 -8.024 -1.777 -1.612 1.00 50.41 H new ATOM 819 N ILE A 51 -4.316 -5.261 -3.071 1.00 11.31 N ATOM 820 CA ILE A 51 -2.843 -5.090 -3.105 1.00 1.30 C ATOM 821 C ILE A 51 -2.404 -4.499 -4.473 1.00 13.21 C ATOM 822 O ILE A 51 -1.706 -3.480 -4.530 1.00 73.32 O ATOM 823 CB ILE A 51 -2.107 -6.460 -2.839 1.00 11.34 C ATOM 824 CG1 ILE A 51 -2.517 -7.064 -1.461 1.00 43.23 C ATOM 825 CG2 ILE A 51 -0.570 -6.310 -2.920 1.00 55.31 C ATOM 826 CD1 ILE A 51 -2.017 -8.477 -1.219 1.00 64.10 C ATOM 0 H ILE A 51 -4.617 -6.235 -3.039 1.00 11.31 H new ATOM 0 HA ILE A 51 -2.562 -4.396 -2.312 1.00 1.30 H new ATOM 0 HB ILE A 51 -2.421 -7.146 -3.626 1.00 11.34 H new ATOM 0 HG12 ILE A 51 -2.139 -6.418 -0.669 1.00 43.23 H new ATOM 0 HG13 ILE A 51 -3.604 -7.059 -1.385 1.00 43.23 H new ATOM 0 HG21 ILE A 51 -0.100 -7.275 -2.731 1.00 55.31 H new ATOM 0 HG22 ILE A 51 -0.291 -5.958 -3.913 1.00 55.31 H new ATOM 0 HG23 ILE A 51 -0.235 -5.591 -2.173 1.00 55.31 H new ATOM 0 HD11 ILE A 51 -2.348 -8.817 -0.238 1.00 64.10 H new ATOM 0 HD12 ILE A 51 -2.415 -9.140 -1.987 1.00 64.10 H new ATOM 0 HD13 ILE A 51 -0.928 -8.489 -1.259 1.00 64.10 H new ATOM 838 N GLU A 52 -2.863 -5.143 -5.562 1.00 34.25 N ATOM 839 CA GLU A 52 -2.537 -4.731 -6.948 1.00 12.02 C ATOM 840 C GLU A 52 -3.141 -3.344 -7.319 1.00 75.24 C ATOM 841 O GLU A 52 -2.487 -2.553 -8.013 1.00 34.02 O ATOM 842 CB GLU A 52 -2.990 -5.826 -7.958 1.00 54.11 C ATOM 843 CG GLU A 52 -4.488 -6.188 -7.890 1.00 41.14 C ATOM 844 CD GLU A 52 -4.925 -7.300 -8.857 1.00 64.10 C ATOM 845 OE1 GLU A 52 -4.232 -8.333 -8.937 1.00 20.54 O ATOM 846 OE2 GLU A 52 -5.971 -7.147 -9.535 1.00 12.22 O ATOM 0 H GLU A 52 -3.469 -5.962 -5.511 1.00 34.25 H new ATOM 0 HA GLU A 52 -1.454 -4.622 -7.006 1.00 12.02 H new ATOM 0 HB2 GLU A 52 -2.758 -5.488 -8.968 1.00 54.11 H new ATOM 0 HB3 GLU A 52 -2.404 -6.728 -7.782 1.00 54.11 H new ATOM 0 HG2 GLU A 52 -4.728 -6.496 -6.872 1.00 41.14 H new ATOM 0 HG3 GLU A 52 -5.074 -5.293 -8.099 1.00 41.14 H new ATOM 853 N LYS A 53 -4.377 -3.040 -6.843 1.00 2.20 N ATOM 854 CA LYS A 53 -5.030 -1.730 -7.146 1.00 31.52 C ATOM 855 C LYS A 53 -4.423 -0.595 -6.286 1.00 2.12 C ATOM 856 O LYS A 53 -4.287 0.537 -6.757 1.00 31.34 O ATOM 857 CB LYS A 53 -6.593 -1.803 -7.035 1.00 73.42 C ATOM 858 CG LYS A 53 -7.216 -2.006 -5.619 1.00 75.22 C ATOM 859 CD LYS A 53 -7.424 -0.707 -4.790 1.00 35.24 C ATOM 860 CE LYS A 53 -8.382 0.286 -5.463 1.00 62.33 C ATOM 861 NZ LYS A 53 -9.749 -0.269 -5.622 1.00 34.44 N ATOM 0 H LYS A 53 -4.934 -3.665 -6.261 1.00 2.20 H new ATOM 0 HA LYS A 53 -4.819 -1.491 -8.189 1.00 31.52 H new ATOM 0 HB2 LYS A 53 -7.001 -0.882 -7.451 1.00 73.42 H new ATOM 0 HB3 LYS A 53 -6.936 -2.619 -7.671 1.00 73.42 H new ATOM 0 HG2 LYS A 53 -8.180 -2.503 -5.732 1.00 75.22 H new ATOM 0 HG3 LYS A 53 -6.575 -2.680 -5.052 1.00 75.22 H new ATOM 0 HD2 LYS A 53 -7.813 -0.969 -3.806 1.00 35.24 H new ATOM 0 HD3 LYS A 53 -6.460 -0.224 -4.633 1.00 35.24 H new ATOM 0 HE2 LYS A 53 -8.430 1.200 -4.870 1.00 62.33 H new ATOM 0 HE3 LYS A 53 -7.988 0.561 -6.441 1.00 62.33 H new ATOM 0 HZ1 LYS A 53 -10.380 0.465 -6.002 1.00 34.44 H new ATOM 0 HZ2 LYS A 53 -9.722 -1.076 -6.278 1.00 34.44 H new ATOM 0 HZ3 LYS A 53 -10.105 -0.586 -4.698 1.00 34.44 H new ATOM 875 N PHE A 54 -4.041 -0.918 -5.025 1.00 33.25 N ATOM 876 CA PHE A 54 -3.311 0.027 -4.145 1.00 0.42 C ATOM 877 C PHE A 54 -1.960 0.396 -4.780 1.00 23.12 C ATOM 878 O PHE A 54 -1.513 1.522 -4.647 1.00 15.54 O ATOM 879 CB PHE A 54 -3.105 -0.560 -2.712 1.00 35.51 C ATOM 880 CG PHE A 54 -2.321 0.346 -1.741 1.00 12.01 C ATOM 881 CD1 PHE A 54 -2.928 1.443 -1.129 1.00 63.32 C ATOM 882 CD2 PHE A 54 -0.971 0.119 -1.473 1.00 55.35 C ATOM 883 CE1 PHE A 54 -2.215 2.279 -0.287 1.00 70.42 C ATOM 884 CE2 PHE A 54 -0.257 0.959 -0.641 1.00 31.11 C ATOM 885 CZ PHE A 54 -0.875 2.036 -0.046 1.00 73.41 C ATOM 0 H PHE A 54 -4.226 -1.825 -4.596 1.00 33.25 H new ATOM 0 HA PHE A 54 -3.915 0.928 -4.041 1.00 0.42 H new ATOM 0 HB2 PHE A 54 -4.083 -0.771 -2.279 1.00 35.51 H new ATOM 0 HB3 PHE A 54 -2.582 -1.513 -2.798 1.00 35.51 H new ATOM 0 HD1 PHE A 54 -3.973 1.644 -1.315 1.00 63.32 H new ATOM 0 HD2 PHE A 54 -0.476 -0.728 -1.924 1.00 55.35 H new ATOM 0 HE1 PHE A 54 -2.705 3.120 0.181 1.00 70.42 H new ATOM 0 HE2 PHE A 54 0.790 0.770 -0.456 1.00 31.11 H new ATOM 0 HZ PHE A 54 -0.315 2.689 0.607 1.00 73.41 H new ATOM 895 N ARG A 55 -1.349 -0.581 -5.488 1.00 12.53 N ATOM 896 CA ARG A 55 -0.062 -0.412 -6.199 1.00 70.31 C ATOM 897 C ARG A 55 -0.204 0.533 -7.424 1.00 63.44 C ATOM 898 O ARG A 55 0.748 1.243 -7.769 1.00 33.43 O ATOM 899 CB ARG A 55 0.504 -1.814 -6.609 1.00 12.14 C ATOM 900 CG ARG A 55 2.032 -1.863 -6.932 1.00 24.31 C ATOM 901 CD ARG A 55 2.372 -1.680 -8.425 1.00 64.10 C ATOM 902 NE ARG A 55 1.864 -2.801 -9.245 1.00 0.34 N ATOM 903 CZ ARG A 55 2.604 -3.643 -9.941 1.00 30.02 C ATOM 904 NH1 ARG A 55 3.893 -3.519 -10.010 1.00 12.10 N ATOM 905 NH2 ARG A 55 2.031 -4.607 -10.587 1.00 13.23 N ATOM 0 H ARG A 55 -1.740 -1.518 -5.582 1.00 12.53 H new ATOM 0 HA ARG A 55 0.649 0.063 -5.523 1.00 70.31 H new ATOM 0 HB2 ARG A 55 0.300 -2.517 -5.802 1.00 12.14 H new ATOM 0 HB3 ARG A 55 -0.044 -2.165 -7.483 1.00 12.14 H new ATOM 0 HG2 ARG A 55 2.538 -1.086 -6.359 1.00 24.31 H new ATOM 0 HG3 ARG A 55 2.432 -2.819 -6.595 1.00 24.31 H new ATOM 0 HD2 ARG A 55 1.943 -0.744 -8.783 1.00 64.10 H new ATOM 0 HD3 ARG A 55 3.453 -1.602 -8.545 1.00 64.10 H new ATOM 0 HE ARG A 55 0.853 -2.935 -9.275 1.00 0.34 H new ATOM 0 HH11 ARG A 55 4.359 -2.756 -9.519 1.00 12.10 H new ATOM 0 HH12 ARG A 55 4.441 -4.184 -10.555 1.00 12.10 H new ATOM 0 HH21 ARG A 55 1.017 -4.710 -10.555 1.00 13.23 H new ATOM 0 HH22 ARG A 55 2.594 -5.263 -11.128 1.00 13.23 H new ATOM 919 N ASP A 56 -1.388 0.528 -8.076 1.00 34.43 N ATOM 920 CA ASP A 56 -1.682 1.429 -9.222 1.00 65.54 C ATOM 921 C ASP A 56 -1.733 2.918 -8.769 1.00 73.12 C ATOM 922 O ASP A 56 -1.036 3.772 -9.337 1.00 43.33 O ATOM 923 CB ASP A 56 -3.010 1.007 -9.915 1.00 23.42 C ATOM 924 CG ASP A 56 -3.328 1.814 -11.198 1.00 24.35 C ATOM 925 OD1 ASP A 56 -2.438 1.936 -12.069 1.00 21.25 O ATOM 926 OD2 ASP A 56 -4.458 2.339 -11.338 1.00 24.12 O ATOM 0 H ASP A 56 -2.160 -0.091 -7.830 1.00 34.43 H new ATOM 0 HA ASP A 56 -0.873 1.336 -9.946 1.00 65.54 H new ATOM 0 HB2 ASP A 56 -2.957 -0.052 -10.167 1.00 23.42 H new ATOM 0 HB3 ASP A 56 -3.832 1.126 -9.209 1.00 23.42 H new ATOM 931 N GLU A 57 -2.546 3.218 -7.729 1.00 51.01 N ATOM 932 CA GLU A 57 -2.593 4.574 -7.118 1.00 31.23 C ATOM 933 C GLU A 57 -1.261 4.927 -6.415 1.00 30.52 C ATOM 934 O GLU A 57 -0.878 6.093 -6.372 1.00 15.40 O ATOM 935 CB GLU A 57 -3.774 4.719 -6.116 1.00 62.54 C ATOM 936 CG GLU A 57 -5.181 4.860 -6.747 1.00 60.22 C ATOM 937 CD GLU A 57 -5.703 3.585 -7.441 1.00 23.21 C ATOM 938 OE1 GLU A 57 -6.269 2.706 -6.751 1.00 44.10 O ATOM 939 OE2 GLU A 57 -5.565 3.463 -8.676 1.00 72.13 O ATOM 0 H GLU A 57 -3.177 2.545 -7.295 1.00 51.01 H new ATOM 0 HA GLU A 57 -2.752 5.276 -7.937 1.00 31.23 H new ATOM 0 HB2 GLU A 57 -3.777 3.849 -5.459 1.00 62.54 H new ATOM 0 HB3 GLU A 57 -3.589 5.591 -5.489 1.00 62.54 H new ATOM 0 HG2 GLU A 57 -5.887 5.149 -5.968 1.00 60.22 H new ATOM 0 HG3 GLU A 57 -5.159 5.671 -7.475 1.00 60.22 H new ATOM 946 N MET A 58 -0.578 3.903 -5.857 1.00 23.13 N ATOM 947 CA MET A 58 0.758 4.053 -5.242 1.00 1.11 C ATOM 948 C MET A 58 1.792 4.581 -6.240 1.00 71.31 C ATOM 949 O MET A 58 2.565 5.474 -5.914 1.00 35.11 O ATOM 950 CB MET A 58 1.242 2.716 -4.635 1.00 51.22 C ATOM 951 CG MET A 58 2.593 2.805 -3.945 1.00 12.13 C ATOM 952 SD MET A 58 2.598 4.028 -2.630 1.00 61.53 S ATOM 953 CE MET A 58 4.349 4.287 -2.464 1.00 73.24 C ATOM 0 H MET A 58 -0.938 2.949 -5.821 1.00 23.13 H new ATOM 0 HA MET A 58 0.658 4.788 -4.443 1.00 1.11 H new ATOM 0 HB2 MET A 58 0.501 2.365 -3.917 1.00 51.22 H new ATOM 0 HB3 MET A 58 1.298 1.968 -5.426 1.00 51.22 H new ATOM 0 HG2 MET A 58 2.855 1.830 -3.534 1.00 12.13 H new ATOM 0 HG3 MET A 58 3.359 3.058 -4.678 1.00 12.13 H new ATOM 0 HE1 MET A 58 4.543 4.913 -1.593 1.00 73.24 H new ATOM 0 HE2 MET A 58 4.849 3.326 -2.339 1.00 73.24 H new ATOM 0 HE3 MET A 58 4.730 4.781 -3.358 1.00 73.24 H new ATOM 963 N GLU A 59 1.779 4.021 -7.455 1.00 64.12 N ATOM 964 CA GLU A 59 2.681 4.443 -8.541 1.00 31.55 C ATOM 965 C GLU A 59 2.379 5.901 -8.959 1.00 14.20 C ATOM 966 O GLU A 59 3.296 6.680 -9.194 1.00 44.32 O ATOM 967 CB GLU A 59 2.566 3.460 -9.738 1.00 64.45 C ATOM 968 CG GLU A 59 3.611 3.668 -10.858 1.00 1.13 C ATOM 969 CD GLU A 59 3.547 2.576 -11.947 1.00 73.23 C ATOM 970 OE1 GLU A 59 4.236 1.534 -11.812 1.00 11.51 O ATOM 971 OE2 GLU A 59 2.795 2.745 -12.934 1.00 4.20 O ATOM 0 H GLU A 59 1.146 3.265 -7.716 1.00 64.12 H new ATOM 0 HA GLU A 59 3.711 4.416 -8.186 1.00 31.55 H new ATOM 0 HB2 GLU A 59 2.657 2.441 -9.362 1.00 64.45 H new ATOM 0 HB3 GLU A 59 1.570 3.552 -10.170 1.00 64.45 H new ATOM 0 HG2 GLU A 59 3.454 4.643 -11.318 1.00 1.13 H new ATOM 0 HG3 GLU A 59 4.609 3.679 -10.420 1.00 1.13 H new ATOM 978 N GLN A 60 1.080 6.265 -8.975 1.00 3.42 N ATOM 979 CA GLN A 60 0.613 7.634 -9.302 1.00 74.34 C ATOM 980 C GLN A 60 1.169 8.686 -8.294 1.00 34.40 C ATOM 981 O GLN A 60 1.830 9.650 -8.698 1.00 21.05 O ATOM 982 CB GLN A 60 -0.950 7.642 -9.347 1.00 31.10 C ATOM 983 CG GLN A 60 -1.635 8.980 -9.760 1.00 71.24 C ATOM 984 CD GLN A 60 -1.831 9.998 -8.617 1.00 30.14 C ATOM 985 OE1 GLN A 60 -2.024 9.634 -7.460 1.00 51.25 O ATOM 986 NE2 GLN A 60 -1.777 11.277 -8.933 1.00 62.53 N ATOM 0 H GLN A 60 0.321 5.618 -8.761 1.00 3.42 H new ATOM 0 HA GLN A 60 0.997 7.919 -10.282 1.00 74.34 H new ATOM 0 HB2 GLN A 60 -1.274 6.866 -10.041 1.00 31.10 H new ATOM 0 HB3 GLN A 60 -1.320 7.362 -8.361 1.00 31.10 H new ATOM 0 HG2 GLN A 60 -1.039 9.448 -10.544 1.00 71.24 H new ATOM 0 HG3 GLN A 60 -2.609 8.752 -10.193 1.00 71.24 H new ATOM 0 HE21 GLN A 60 -1.616 11.557 -9.900 1.00 62.53 H new ATOM 0 HE22 GLN A 60 -1.897 11.986 -8.210 1.00 62.53 H new ATOM 995 N MET A 61 0.915 8.468 -6.987 1.00 5.22 N ATOM 996 CA MET A 61 1.322 9.418 -5.910 1.00 12.51 C ATOM 997 C MET A 61 2.847 9.376 -5.623 1.00 12.31 C ATOM 998 O MET A 61 3.402 10.329 -5.067 1.00 62.54 O ATOM 999 CB MET A 61 0.484 9.180 -4.624 1.00 4.22 C ATOM 1000 CG MET A 61 0.549 7.761 -4.051 1.00 34.21 C ATOM 1001 SD MET A 61 -0.707 7.497 -2.785 1.00 75.31 S ATOM 1002 CE MET A 61 -0.586 5.737 -2.467 1.00 34.22 C ATOM 0 H MET A 61 0.428 7.641 -6.643 1.00 5.22 H new ATOM 0 HA MET A 61 1.112 10.425 -6.269 1.00 12.51 H new ATOM 0 HB2 MET A 61 0.819 9.879 -3.858 1.00 4.22 H new ATOM 0 HB3 MET A 61 -0.557 9.419 -4.840 1.00 4.22 H new ATOM 0 HG2 MET A 61 0.414 7.037 -4.855 1.00 34.21 H new ATOM 0 HG3 MET A 61 1.537 7.585 -3.626 1.00 34.21 H new ATOM 0 HE1 MET A 61 -1.247 5.470 -1.643 1.00 34.22 H new ATOM 0 HE2 MET A 61 -0.878 5.185 -3.360 1.00 34.22 H new ATOM 0 HE3 MET A 61 0.441 5.485 -2.204 1.00 34.22 H new ATOM 1012 N TYR A 62 3.505 8.260 -5.990 1.00 34.01 N ATOM 1013 CA TYR A 62 4.984 8.148 -5.989 1.00 71.03 C ATOM 1014 C TYR A 62 5.607 9.078 -7.063 1.00 21.52 C ATOM 1015 O TYR A 62 6.593 9.758 -6.799 1.00 63.31 O ATOM 1016 CB TYR A 62 5.405 6.664 -6.199 1.00 52.52 C ATOM 1017 CG TYR A 62 6.888 6.438 -6.536 1.00 63.51 C ATOM 1018 CD1 TYR A 62 7.891 6.548 -5.565 1.00 45.44 C ATOM 1019 CD2 TYR A 62 7.288 6.129 -7.844 1.00 62.02 C ATOM 1020 CE1 TYR A 62 9.218 6.366 -5.893 1.00 53.13 C ATOM 1021 CE2 TYR A 62 8.614 5.942 -8.165 1.00 60.42 C ATOM 1022 CZ TYR A 62 9.575 6.062 -7.192 1.00 23.32 C ATOM 1023 OH TYR A 62 10.901 5.889 -7.515 1.00 11.42 O ATOM 0 H TYR A 62 3.031 7.410 -6.296 1.00 34.01 H new ATOM 0 HA TYR A 62 5.364 8.473 -5.021 1.00 71.03 H new ATOM 0 HB2 TYR A 62 5.167 6.105 -5.294 1.00 52.52 H new ATOM 0 HB3 TYR A 62 4.800 6.243 -7.002 1.00 52.52 H new ATOM 0 HD1 TYR A 62 7.621 6.779 -4.545 1.00 45.44 H new ATOM 0 HD2 TYR A 62 6.539 6.036 -8.617 1.00 62.02 H new ATOM 0 HE1 TYR A 62 9.979 6.461 -5.133 1.00 53.13 H new ATOM 0 HE2 TYR A 62 8.897 5.702 -9.179 1.00 60.42 H new ATOM 0 HH TYR A 62 11.329 5.317 -6.845 1.00 11.42 H new ATOM 1033 N LYS A 63 5.022 9.087 -8.280 1.00 24.13 N ATOM 1034 CA LYS A 63 5.468 9.998 -9.372 1.00 50.04 C ATOM 1035 C LYS A 63 5.118 11.475 -9.055 1.00 12.22 C ATOM 1036 O LYS A 63 5.772 12.397 -9.552 1.00 63.41 O ATOM 1037 CB LYS A 63 4.851 9.595 -10.742 1.00 23.50 C ATOM 1038 CG LYS A 63 5.156 8.154 -11.210 1.00 3.44 C ATOM 1039 CD LYS A 63 6.664 7.830 -11.323 1.00 40.43 C ATOM 1040 CE LYS A 63 6.907 6.369 -11.755 1.00 25.45 C ATOM 1041 NZ LYS A 63 8.357 6.052 -11.881 1.00 13.41 N ATOM 0 H LYS A 63 4.244 8.480 -8.537 1.00 24.13 H new ATOM 0 HA LYS A 63 6.552 9.901 -9.438 1.00 50.04 H new ATOM 0 HB2 LYS A 63 3.770 9.719 -10.684 1.00 23.50 H new ATOM 0 HB3 LYS A 63 5.211 10.289 -11.501 1.00 23.50 H new ATOM 0 HG2 LYS A 63 4.696 7.453 -10.513 1.00 3.44 H new ATOM 0 HG3 LYS A 63 4.687 7.992 -12.181 1.00 3.44 H new ATOM 0 HD2 LYS A 63 7.127 8.504 -12.044 1.00 40.43 H new ATOM 0 HD3 LYS A 63 7.147 8.010 -10.363 1.00 40.43 H new ATOM 0 HE2 LYS A 63 6.452 5.697 -11.028 1.00 25.45 H new ATOM 0 HE3 LYS A 63 6.413 6.187 -12.710 1.00 25.45 H new ATOM 0 HZ1 LYS A 63 8.482 5.022 -11.955 1.00 13.41 H new ATOM 0 HZ2 LYS A 63 8.739 6.509 -12.733 1.00 13.41 H new ATOM 0 HZ3 LYS A 63 8.863 6.403 -11.043 1.00 13.41 H new ATOM 1055 N ASP A 64 4.063 11.683 -8.241 1.00 55.24 N ATOM 1056 CA ASP A 64 3.660 13.022 -7.751 1.00 51.15 C ATOM 1057 C ASP A 64 4.737 13.612 -6.807 1.00 22.11 C ATOM 1058 O ASP A 64 5.249 14.717 -7.037 1.00 34.42 O ATOM 1059 CB ASP A 64 2.285 12.915 -7.029 1.00 71.43 C ATOM 1060 CG ASP A 64 1.834 14.221 -6.345 1.00 3.31 C ATOM 1061 OD1 ASP A 64 1.380 15.145 -7.054 1.00 54.44 O ATOM 1062 OD2 ASP A 64 1.920 14.322 -5.097 1.00 63.05 O ATOM 0 H ASP A 64 3.465 10.929 -7.903 1.00 55.24 H new ATOM 0 HA ASP A 64 3.564 13.699 -8.600 1.00 51.15 H new ATOM 0 HB2 ASP A 64 1.528 12.616 -7.754 1.00 71.43 H new ATOM 0 HB3 ASP A 64 2.340 12.125 -6.280 1.00 71.43 H new ATOM 1067 N ALA A 65 5.074 12.853 -5.751 1.00 22.44 N ATOM 1068 CA ALA A 65 6.048 13.276 -4.728 1.00 41.42 C ATOM 1069 C ALA A 65 6.808 12.049 -4.152 1.00 2.41 C ATOM 1070 O ALA A 65 6.305 11.375 -3.249 1.00 61.44 O ATOM 1071 CB ALA A 65 5.328 14.071 -3.618 1.00 1.00 C ATOM 0 H ALA A 65 4.679 11.928 -5.581 1.00 22.44 H new ATOM 0 HA ALA A 65 6.790 13.929 -5.188 1.00 41.42 H new ATOM 0 HB1 ALA A 65 6.052 14.381 -2.865 1.00 1.00 H new ATOM 0 HB2 ALA A 65 4.854 14.952 -4.051 1.00 1.00 H new ATOM 0 HB3 ALA A 65 4.569 13.442 -3.154 1.00 1.00 H new ATOM 1077 N PRO A 66 8.005 11.688 -4.719 1.00 23.25 N ATOM 1078 CA PRO A 66 8.875 10.635 -4.155 1.00 35.21 C ATOM 1079 C PRO A 66 9.942 11.197 -3.167 1.00 4.13 C ATOM 1080 O PRO A 66 10.619 12.187 -3.459 1.00 11.44 O ATOM 1081 CB PRO A 66 9.532 10.052 -5.432 1.00 11.41 C ATOM 1082 CG PRO A 66 9.661 11.221 -6.378 1.00 13.01 C ATOM 1083 CD PRO A 66 8.580 12.234 -5.984 1.00 21.31 C ATOM 0 HA PRO A 66 8.331 9.905 -3.556 1.00 35.21 H new ATOM 0 HB2 PRO A 66 10.506 9.616 -5.210 1.00 11.41 H new ATOM 0 HB3 PRO A 66 8.919 9.261 -5.864 1.00 11.41 H new ATOM 0 HG2 PRO A 66 10.653 11.667 -6.307 1.00 13.01 H new ATOM 0 HG3 PRO A 66 9.530 10.898 -7.411 1.00 13.01 H new ATOM 0 HD2 PRO A 66 9.002 13.227 -5.833 1.00 21.31 H new ATOM 0 HD3 PRO A 66 7.819 12.326 -6.759 1.00 21.31 H new ATOM 1091 N ASN A 67 10.074 10.569 -1.986 1.00 43.24 N ATOM 1092 CA ASN A 67 11.187 10.867 -1.049 1.00 24.05 C ATOM 1093 C ASN A 67 12.358 9.856 -1.268 1.00 4.13 C ATOM 1094 O ASN A 67 13.275 10.156 -2.038 1.00 3.33 O ATOM 1095 CB ASN A 67 10.669 10.967 0.427 1.00 40.45 C ATOM 1096 CG ASN A 67 9.658 9.890 0.852 1.00 4.00 C ATOM 1097 OD1 ASN A 67 9.739 8.742 0.456 1.00 42.32 O ATOM 1098 ND2 ASN A 67 8.689 10.265 1.658 1.00 22.34 N ATOM 0 H ASN A 67 9.429 9.853 -1.652 1.00 43.24 H new ATOM 0 HA ASN A 67 11.602 11.852 -1.263 1.00 24.05 H new ATOM 0 HB2 ASN A 67 11.527 10.919 1.098 1.00 40.45 H new ATOM 0 HB3 ASN A 67 10.210 11.946 0.566 1.00 40.45 H new ATOM 0 HD21 ASN A 67 7.988 9.589 1.962 1.00 22.34 H new ATOM 0 HD22 ASN A 67 8.638 11.232 1.979 1.00 22.34 H new ATOM 1105 N ALA A 68 12.323 8.667 -0.630 1.00 24.55 N ATOM 1106 CA ALA A 68 13.289 7.572 -0.894 1.00 51.40 C ATOM 1107 C ALA A 68 12.685 6.197 -0.527 1.00 35.05 C ATOM 1108 O ALA A 68 12.565 5.307 -1.382 1.00 51.54 O ATOM 1109 CB ALA A 68 14.606 7.814 -0.129 1.00 50.10 C ATOM 0 H ALA A 68 11.628 8.437 0.080 1.00 24.55 H new ATOM 0 HA ALA A 68 13.509 7.566 -1.962 1.00 51.40 H new ATOM 0 HB1 ALA A 68 15.301 7.000 -0.335 1.00 50.10 H new ATOM 0 HB2 ALA A 68 15.046 8.758 -0.451 1.00 50.10 H new ATOM 0 HB3 ALA A 68 14.403 7.855 0.941 1.00 50.10 H new ATOM 1115 N VAL A 69 12.287 6.048 0.753 1.00 45.13 N ATOM 1116 CA VAL A 69 11.694 4.789 1.285 1.00 12.43 C ATOM 1117 C VAL A 69 10.329 4.451 0.625 1.00 32.21 C ATOM 1118 O VAL A 69 9.930 3.288 0.591 1.00 32.22 O ATOM 1119 CB VAL A 69 11.534 4.844 2.854 1.00 34.13 C ATOM 1120 CG1 VAL A 69 12.899 5.109 3.540 1.00 61.33 C ATOM 1121 CG2 VAL A 69 10.470 5.886 3.293 1.00 10.13 C ATOM 0 H VAL A 69 12.364 6.789 1.450 1.00 45.13 H new ATOM 0 HA VAL A 69 12.394 3.993 1.030 1.00 12.43 H new ATOM 0 HB VAL A 69 11.175 3.868 3.179 1.00 34.13 H new ATOM 0 HG11 VAL A 69 12.763 5.143 4.621 1.00 61.33 H new ATOM 0 HG12 VAL A 69 13.595 4.309 3.287 1.00 61.33 H new ATOM 0 HG13 VAL A 69 13.301 6.062 3.195 1.00 61.33 H new ATOM 0 HG21 VAL A 69 10.392 5.891 4.380 1.00 10.13 H new ATOM 0 HG22 VAL A 69 10.766 6.876 2.946 1.00 10.13 H new ATOM 0 HG23 VAL A 69 9.504 5.624 2.861 1.00 10.13 H new ATOM 1131 N MET A 70 9.647 5.488 0.094 1.00 52.13 N ATOM 1132 CA MET A 70 8.349 5.360 -0.614 1.00 54.04 C ATOM 1133 C MET A 70 8.448 4.393 -1.832 1.00 34.14 C ATOM 1134 O MET A 70 7.496 3.672 -2.144 1.00 34.51 O ATOM 1135 CB MET A 70 7.879 6.779 -1.052 1.00 51.42 C ATOM 1136 CG MET A 70 6.436 6.882 -1.549 1.00 51.41 C ATOM 1137 SD MET A 70 5.882 8.584 -1.788 1.00 74.44 S ATOM 1138 CE MET A 70 4.138 8.353 -2.175 1.00 61.22 C ATOM 0 H MET A 70 9.983 6.450 0.144 1.00 52.13 H new ATOM 0 HA MET A 70 7.614 4.925 0.063 1.00 54.04 H new ATOM 0 HB2 MET A 70 8.001 7.458 -0.208 1.00 51.42 H new ATOM 0 HB3 MET A 70 8.541 7.132 -1.843 1.00 51.42 H new ATOM 0 HG2 MET A 70 6.344 6.342 -2.491 1.00 51.41 H new ATOM 0 HG3 MET A 70 5.777 6.390 -0.834 1.00 51.41 H new ATOM 0 HE1 MET A 70 3.672 9.323 -2.346 1.00 61.22 H new ATOM 0 HE2 MET A 70 4.042 7.741 -3.072 1.00 61.22 H new ATOM 0 HE3 MET A 70 3.643 7.854 -1.341 1.00 61.22 H new ATOM 1148 N GLU A 71 9.626 4.376 -2.481 1.00 61.41 N ATOM 1149 CA GLU A 71 9.930 3.451 -3.601 1.00 24.04 C ATOM 1150 C GLU A 71 10.010 1.980 -3.120 1.00 22.14 C ATOM 1151 O GLU A 71 9.491 1.074 -3.773 1.00 71.23 O ATOM 1152 CB GLU A 71 11.275 3.863 -4.251 1.00 75.51 C ATOM 1153 CG GLU A 71 11.679 3.037 -5.495 1.00 63.24 C ATOM 1154 CD GLU A 71 13.101 3.356 -5.992 1.00 23.30 C ATOM 1155 OE1 GLU A 71 13.300 4.423 -6.616 1.00 74.34 O ATOM 1156 OE2 GLU A 71 14.023 2.540 -5.763 1.00 30.11 O ATOM 0 H GLU A 71 10.398 5.001 -2.248 1.00 61.41 H new ATOM 0 HA GLU A 71 9.123 3.519 -4.330 1.00 24.04 H new ATOM 0 HB2 GLU A 71 11.218 4.914 -4.534 1.00 75.51 H new ATOM 0 HB3 GLU A 71 12.064 3.777 -3.504 1.00 75.51 H new ATOM 0 HG2 GLU A 71 11.613 1.975 -5.257 1.00 63.24 H new ATOM 0 HG3 GLU A 71 10.968 3.228 -6.298 1.00 63.24 H new ATOM 1163 N GLN A 72 10.678 1.775 -1.973 1.00 61.44 N ATOM 1164 CA GLN A 72 10.877 0.440 -1.352 1.00 71.31 C ATOM 1165 C GLN A 72 9.557 -0.136 -0.779 1.00 51.31 C ATOM 1166 O GLN A 72 9.369 -1.351 -0.727 1.00 11.42 O ATOM 1167 CB GLN A 72 11.953 0.541 -0.241 1.00 3.11 C ATOM 1168 CG GLN A 72 13.323 1.048 -0.740 1.00 55.21 C ATOM 1169 CD GLN A 72 14.349 1.244 0.380 1.00 30.03 C ATOM 1170 OE1 GLN A 72 14.001 1.573 1.508 1.00 41.50 O ATOM 1171 NE2 GLN A 72 15.619 1.055 0.080 1.00 75.15 N ATOM 0 H GLN A 72 11.102 2.534 -1.440 1.00 61.44 H new ATOM 0 HA GLN A 72 11.215 -0.247 -2.128 1.00 71.31 H new ATOM 0 HB2 GLN A 72 11.592 1.209 0.541 1.00 3.11 H new ATOM 0 HB3 GLN A 72 12.084 -0.441 0.214 1.00 3.11 H new ATOM 0 HG2 GLN A 72 13.721 0.339 -1.466 1.00 55.21 H new ATOM 0 HG3 GLN A 72 13.183 1.994 -1.262 1.00 55.21 H new ATOM 0 HE21 GLN A 72 15.884 0.781 -0.866 1.00 75.15 H new ATOM 0 HE22 GLN A 72 16.336 1.182 0.794 1.00 75.15 H new ATOM 1180 N LEU A 73 8.669 0.764 -0.325 1.00 14.42 N ATOM 1181 CA LEU A 73 7.315 0.407 0.146 1.00 10.12 C ATOM 1182 C LEU A 73 6.394 0.025 -1.042 1.00 44.22 C ATOM 1183 O LEU A 73 5.578 -0.887 -0.921 1.00 53.53 O ATOM 1184 CB LEU A 73 6.734 1.581 0.981 1.00 2.42 C ATOM 1185 CG LEU A 73 7.516 1.880 2.308 1.00 21.12 C ATOM 1186 CD1 LEU A 73 7.090 3.219 2.947 1.00 55.33 C ATOM 1187 CD2 LEU A 73 7.377 0.712 3.318 1.00 31.24 C ATOM 0 H LEU A 73 8.868 1.763 -0.273 1.00 14.42 H new ATOM 0 HA LEU A 73 7.375 -0.473 0.787 1.00 10.12 H new ATOM 0 HB2 LEU A 73 6.729 2.481 0.366 1.00 2.42 H new ATOM 0 HB3 LEU A 73 5.696 1.357 1.227 1.00 2.42 H new ATOM 0 HG LEU A 73 8.569 1.973 2.040 1.00 21.12 H new ATOM 0 HD11 LEU A 73 7.658 3.382 3.863 1.00 55.33 H new ATOM 0 HD12 LEU A 73 7.284 4.033 2.249 1.00 55.33 H new ATOM 0 HD13 LEU A 73 6.026 3.188 3.181 1.00 55.33 H new ATOM 0 HD21 LEU A 73 7.930 0.949 4.227 1.00 31.24 H new ATOM 0 HD22 LEU A 73 6.325 0.565 3.561 1.00 31.24 H new ATOM 0 HD23 LEU A 73 7.779 -0.200 2.877 1.00 31.24 H new ATOM 1199 N LEU A 74 6.561 0.727 -2.192 1.00 73.03 N ATOM 1200 CA LEU A 74 5.908 0.364 -3.484 1.00 64.22 C ATOM 1201 C LEU A 74 6.384 -1.043 -3.932 1.00 41.33 C ATOM 1202 O LEU A 74 5.588 -1.883 -4.373 1.00 52.32 O ATOM 1203 CB LEU A 74 6.231 1.463 -4.557 1.00 71.12 C ATOM 1204 CG LEU A 74 5.404 1.464 -5.907 1.00 14.42 C ATOM 1205 CD1 LEU A 74 5.514 2.828 -6.628 1.00 13.22 C ATOM 1206 CD2 LEU A 74 5.812 0.329 -6.877 1.00 61.21 C ATOM 0 H LEU A 74 7.149 1.558 -2.254 1.00 73.03 H new ATOM 0 HA LEU A 74 4.826 0.322 -3.362 1.00 64.22 H new ATOM 0 HB2 LEU A 74 6.098 2.437 -4.085 1.00 71.12 H new ATOM 0 HB3 LEU A 74 7.287 1.375 -4.814 1.00 71.12 H new ATOM 0 HG LEU A 74 4.369 1.285 -5.617 1.00 14.42 H new ATOM 0 HD11 LEU A 74 4.936 2.799 -7.552 1.00 13.22 H new ATOM 0 HD12 LEU A 74 5.125 3.614 -5.981 1.00 13.22 H new ATOM 0 HD13 LEU A 74 6.559 3.034 -6.860 1.00 13.22 H new ATOM 0 HD21 LEU A 74 5.206 0.388 -7.781 1.00 61.21 H new ATOM 0 HD22 LEU A 74 6.865 0.434 -7.138 1.00 61.21 H new ATOM 0 HD23 LEU A 74 5.652 -0.636 -6.396 1.00 61.21 H new ATOM 1218 N GLU A 75 7.699 -1.263 -3.801 1.00 33.12 N ATOM 1219 CA GLU A 75 8.369 -2.541 -4.115 1.00 42.25 C ATOM 1220 C GLU A 75 7.861 -3.689 -3.205 1.00 14.24 C ATOM 1221 O GLU A 75 7.669 -4.818 -3.665 1.00 54.21 O ATOM 1222 CB GLU A 75 9.896 -2.336 -3.939 1.00 24.13 C ATOM 1223 CG GLU A 75 10.771 -3.573 -4.177 1.00 3.44 C ATOM 1224 CD GLU A 75 12.251 -3.330 -3.844 1.00 12.41 C ATOM 1225 OE1 GLU A 75 12.590 -3.243 -2.639 1.00 44.23 O ATOM 1226 OE2 GLU A 75 13.080 -3.209 -4.775 1.00 74.31 O ATOM 0 H GLU A 75 8.343 -0.546 -3.467 1.00 33.12 H new ATOM 0 HA GLU A 75 8.141 -2.830 -5.141 1.00 42.25 H new ATOM 0 HB2 GLU A 75 10.218 -1.550 -4.622 1.00 24.13 H new ATOM 0 HB3 GLU A 75 10.080 -1.974 -2.927 1.00 24.13 H new ATOM 0 HG2 GLU A 75 10.398 -4.398 -3.570 1.00 3.44 H new ATOM 0 HG3 GLU A 75 10.684 -3.879 -5.220 1.00 3.44 H new ATOM 1233 N GLU A 76 7.633 -3.365 -1.916 1.00 12.52 N ATOM 1234 CA GLU A 76 7.162 -4.333 -0.900 1.00 44.55 C ATOM 1235 C GLU A 76 5.731 -4.850 -1.220 1.00 61.34 C ATOM 1236 O GLU A 76 5.410 -6.013 -0.960 1.00 24.23 O ATOM 1237 CB GLU A 76 7.207 -3.683 0.511 1.00 72.24 C ATOM 1238 CG GLU A 76 7.014 -4.658 1.698 1.00 52.44 C ATOM 1239 CD GLU A 76 8.200 -5.618 1.928 1.00 43.24 C ATOM 1240 OE1 GLU A 76 8.295 -6.662 1.239 1.00 64.13 O ATOM 1241 OE2 GLU A 76 9.036 -5.338 2.819 1.00 64.41 O ATOM 0 H GLU A 76 7.770 -2.424 -1.548 1.00 12.52 H new ATOM 0 HA GLU A 76 7.830 -5.194 -0.918 1.00 44.55 H new ATOM 0 HB2 GLU A 76 8.166 -3.179 0.630 1.00 72.24 H new ATOM 0 HB3 GLU A 76 6.435 -2.916 0.564 1.00 72.24 H new ATOM 0 HG2 GLU A 76 6.849 -4.079 2.606 1.00 52.44 H new ATOM 0 HG3 GLU A 76 6.113 -5.247 1.527 1.00 52.44 H new ATOM 1248 N ILE A 77 4.887 -3.964 -1.804 1.00 64.35 N ATOM 1249 CA ILE A 77 3.520 -4.317 -2.279 1.00 10.31 C ATOM 1250 C ILE A 77 3.566 -5.496 -3.283 1.00 2.02 C ATOM 1251 O ILE A 77 2.763 -6.430 -3.190 1.00 11.41 O ATOM 1252 CB ILE A 77 2.817 -3.081 -2.961 1.00 61.32 C ATOM 1253 CG1 ILE A 77 2.756 -1.869 -1.993 1.00 43.30 C ATOM 1254 CG2 ILE A 77 1.396 -3.432 -3.458 1.00 70.21 C ATOM 1255 CD1 ILE A 77 2.302 -0.577 -2.636 1.00 22.22 C ATOM 0 H ILE A 77 5.131 -2.986 -1.960 1.00 64.35 H new ATOM 0 HA ILE A 77 2.943 -4.616 -1.403 1.00 10.31 H new ATOM 0 HB ILE A 77 3.421 -2.810 -3.827 1.00 61.32 H new ATOM 0 HG12 ILE A 77 2.080 -2.109 -1.172 1.00 43.30 H new ATOM 0 HG13 ILE A 77 3.744 -1.717 -1.558 1.00 43.30 H new ATOM 0 HG21 ILE A 77 0.946 -2.554 -3.921 1.00 70.21 H new ATOM 0 HG22 ILE A 77 1.455 -4.238 -4.189 1.00 70.21 H new ATOM 0 HG23 ILE A 77 0.784 -3.751 -2.614 1.00 70.21 H new ATOM 0 HD11 ILE A 77 2.288 0.216 -1.889 1.00 22.22 H new ATOM 0 HD12 ILE A 77 2.990 -0.308 -3.438 1.00 22.22 H new ATOM 0 HD13 ILE A 77 1.300 -0.707 -3.045 1.00 22.22 H new ATOM 1267 N GLU A 78 4.531 -5.432 -4.226 1.00 65.50 N ATOM 1268 CA GLU A 78 4.774 -6.508 -5.218 1.00 35.12 C ATOM 1269 C GLU A 78 5.100 -7.857 -4.536 1.00 10.21 C ATOM 1270 O GLU A 78 4.604 -8.910 -4.953 1.00 0.20 O ATOM 1271 CB GLU A 78 5.938 -6.105 -6.163 1.00 4.03 C ATOM 1272 CG GLU A 78 6.387 -7.219 -7.143 1.00 74.40 C ATOM 1273 CD GLU A 78 7.573 -6.820 -8.034 1.00 60.35 C ATOM 1274 OE1 GLU A 78 7.336 -6.239 -9.117 1.00 52.04 O ATOM 1275 OE2 GLU A 78 8.738 -7.093 -7.656 1.00 42.30 O ATOM 0 H GLU A 78 5.163 -4.637 -4.323 1.00 65.50 H new ATOM 0 HA GLU A 78 3.858 -6.637 -5.794 1.00 35.12 H new ATOM 0 HB2 GLU A 78 5.634 -5.232 -6.740 1.00 4.03 H new ATOM 0 HB3 GLU A 78 6.793 -5.805 -5.557 1.00 4.03 H new ATOM 0 HG2 GLU A 78 6.657 -8.106 -6.571 1.00 74.40 H new ATOM 0 HG3 GLU A 78 5.544 -7.493 -7.777 1.00 74.40 H new ATOM 1282 N LYS A 79 5.928 -7.798 -3.477 1.00 45.11 N ATOM 1283 CA LYS A 79 6.409 -9.003 -2.758 1.00 0.33 C ATOM 1284 C LYS A 79 5.243 -9.725 -2.043 1.00 42.34 C ATOM 1285 O LYS A 79 5.173 -10.950 -2.049 1.00 4.22 O ATOM 1286 CB LYS A 79 7.530 -8.631 -1.737 1.00 61.52 C ATOM 1287 CG LYS A 79 8.634 -7.689 -2.274 1.00 20.35 C ATOM 1288 CD LYS A 79 9.284 -8.171 -3.595 1.00 11.21 C ATOM 1289 CE LYS A 79 10.317 -7.165 -4.137 1.00 3.31 C ATOM 1290 NZ LYS A 79 10.824 -7.544 -5.483 1.00 15.43 N ATOM 0 H LYS A 79 6.283 -6.922 -3.094 1.00 45.11 H new ATOM 0 HA LYS A 79 6.830 -9.685 -3.496 1.00 0.33 H new ATOM 0 HB2 LYS A 79 7.066 -8.161 -0.870 1.00 61.52 H new ATOM 0 HB3 LYS A 79 7.999 -9.551 -1.388 1.00 61.52 H new ATOM 0 HG2 LYS A 79 8.208 -6.698 -2.431 1.00 20.35 H new ATOM 0 HG3 LYS A 79 9.410 -7.586 -1.516 1.00 20.35 H new ATOM 0 HD2 LYS A 79 9.769 -9.133 -3.429 1.00 11.21 H new ATOM 0 HD3 LYS A 79 8.507 -8.330 -4.343 1.00 11.21 H new ATOM 0 HE2 LYS A 79 9.864 -6.175 -4.188 1.00 3.31 H new ATOM 0 HE3 LYS A 79 11.154 -7.098 -3.442 1.00 3.31 H new ATOM 0 HZ1 LYS A 79 11.663 -6.974 -5.711 1.00 15.43 H new ATOM 0 HZ2 LYS A 79 11.079 -8.552 -5.487 1.00 15.43 H new ATOM 0 HZ3 LYS A 79 10.085 -7.371 -6.194 1.00 15.43 H new ATOM 1304 N LEU A 80 4.325 -8.932 -1.452 1.00 52.21 N ATOM 1305 CA LEU A 80 3.120 -9.444 -0.747 1.00 41.21 C ATOM 1306 C LEU A 80 2.011 -9.897 -1.733 1.00 11.41 C ATOM 1307 O LEU A 80 1.223 -10.780 -1.401 1.00 43.44 O ATOM 1308 CB LEU A 80 2.575 -8.390 0.268 1.00 32.52 C ATOM 1309 CG LEU A 80 3.298 -8.326 1.658 1.00 53.02 C ATOM 1310 CD1 LEU A 80 3.121 -9.644 2.444 1.00 14.31 C ATOM 1311 CD2 LEU A 80 4.789 -7.958 1.515 1.00 25.44 C ATOM 0 H LEU A 80 4.394 -7.914 -1.448 1.00 52.21 H new ATOM 0 HA LEU A 80 3.428 -10.328 -0.189 1.00 41.21 H new ATOM 0 HB2 LEU A 80 2.636 -7.405 -0.195 1.00 32.52 H new ATOM 0 HB3 LEU A 80 1.519 -8.596 0.441 1.00 32.52 H new ATOM 0 HG LEU A 80 2.823 -7.529 2.230 1.00 53.02 H new ATOM 0 HD11 LEU A 80 3.634 -9.567 3.403 1.00 14.31 H new ATOM 0 HD12 LEU A 80 2.060 -9.827 2.614 1.00 14.31 H new ATOM 0 HD13 LEU A 80 3.544 -10.469 1.871 1.00 14.31 H new ATOM 0 HD21 LEU A 80 5.252 -7.925 2.501 1.00 25.44 H new ATOM 0 HD22 LEU A 80 5.292 -8.707 0.904 1.00 25.44 H new ATOM 0 HD23 LEU A 80 4.879 -6.982 1.039 1.00 25.44 H new ATOM 1323 N LEU A 81 1.944 -9.268 -2.923 1.00 51.33 N ATOM 1324 CA LEU A 81 1.026 -9.693 -4.015 1.00 63.42 C ATOM 1325 C LEU A 81 1.423 -11.094 -4.543 1.00 13.14 C ATOM 1326 O LEU A 81 0.572 -11.966 -4.773 1.00 51.44 O ATOM 1327 CB LEU A 81 1.064 -8.654 -5.174 1.00 11.14 C ATOM 1328 CG LEU A 81 0.080 -8.895 -6.370 1.00 34.43 C ATOM 1329 CD1 LEU A 81 -1.396 -8.873 -5.907 1.00 11.11 C ATOM 1330 CD2 LEU A 81 0.320 -7.876 -7.511 1.00 51.42 C ATOM 0 H LEU A 81 2.516 -8.458 -3.160 1.00 51.33 H new ATOM 0 HA LEU A 81 0.012 -9.748 -3.618 1.00 63.42 H new ATOM 0 HB2 LEU A 81 0.855 -7.670 -4.755 1.00 11.14 H new ATOM 0 HB3 LEU A 81 2.079 -8.623 -5.570 1.00 11.14 H new ATOM 0 HG LEU A 81 0.286 -9.891 -6.762 1.00 34.43 H new ATOM 0 HD11 LEU A 81 -2.049 -9.044 -6.763 1.00 11.11 H new ATOM 0 HD12 LEU A 81 -1.557 -9.657 -5.167 1.00 11.11 H new ATOM 0 HD13 LEU A 81 -1.624 -7.903 -5.464 1.00 11.11 H new ATOM 0 HD21 LEU A 81 -0.378 -8.070 -8.325 1.00 51.42 H new ATOM 0 HD22 LEU A 81 0.166 -6.865 -7.134 1.00 51.42 H new ATOM 0 HD23 LEU A 81 1.342 -7.975 -7.878 1.00 51.42 H new ATOM 1342 N LYS A 82 2.736 -11.267 -4.734 1.00 41.22 N ATOM 1343 CA LYS A 82 3.345 -12.524 -5.211 1.00 42.34 C ATOM 1344 C LYS A 82 3.356 -13.615 -4.108 1.00 34.13 C ATOM 1345 O LYS A 82 3.257 -14.810 -4.399 1.00 63.12 O ATOM 1346 CB LYS A 82 4.774 -12.218 -5.719 1.00 63.31 C ATOM 1347 CG LYS A 82 5.492 -13.407 -6.390 1.00 51.04 C ATOM 1348 CD LYS A 82 6.882 -13.024 -6.954 1.00 5.01 C ATOM 1349 CE LYS A 82 7.640 -14.238 -7.508 1.00 43.50 C ATOM 1350 NZ LYS A 82 7.918 -15.248 -6.452 1.00 11.44 N ATOM 0 H LYS A 82 3.419 -10.530 -4.560 1.00 41.22 H new ATOM 0 HA LYS A 82 2.745 -12.925 -6.028 1.00 42.34 H new ATOM 0 HB2 LYS A 82 4.722 -11.394 -6.431 1.00 63.31 H new ATOM 0 HB3 LYS A 82 5.377 -11.875 -4.878 1.00 63.31 H new ATOM 0 HG2 LYS A 82 5.608 -14.212 -5.665 1.00 51.04 H new ATOM 0 HG3 LYS A 82 4.870 -13.793 -7.198 1.00 51.04 H new ATOM 0 HD2 LYS A 82 6.760 -12.283 -7.744 1.00 5.01 H new ATOM 0 HD3 LYS A 82 7.474 -12.556 -6.168 1.00 5.01 H new ATOM 0 HE2 LYS A 82 7.056 -14.698 -8.305 1.00 43.50 H new ATOM 0 HE3 LYS A 82 8.580 -13.908 -7.951 1.00 43.50 H new ATOM 0 HZ1 LYS A 82 8.624 -15.928 -6.799 1.00 11.44 H new ATOM 0 HZ2 LYS A 82 8.285 -14.771 -5.604 1.00 11.44 H new ATOM 0 HZ3 LYS A 82 7.040 -15.752 -6.214 1.00 11.44 H new ATOM 1364 N LYS A 83 3.493 -13.185 -2.842 1.00 32.33 N ATOM 1365 CA LYS A 83 3.402 -14.085 -1.666 1.00 74.10 C ATOM 1366 C LYS A 83 1.940 -14.560 -1.447 1.00 74.12 C ATOM 1367 O LYS A 83 1.702 -15.693 -1.011 1.00 44.44 O ATOM 1368 CB LYS A 83 3.942 -13.357 -0.400 1.00 0.13 C ATOM 1369 CG LYS A 83 4.131 -14.248 0.850 1.00 2.30 C ATOM 1370 CD LYS A 83 5.163 -15.382 0.629 1.00 70.35 C ATOM 1371 CE LYS A 83 5.411 -16.221 1.897 1.00 0.32 C ATOM 1372 NZ LYS A 83 5.958 -15.402 3.011 1.00 70.05 N ATOM 0 H LYS A 83 3.669 -12.210 -2.600 1.00 32.33 H new ATOM 0 HA LYS A 83 4.015 -14.967 -1.851 1.00 74.10 H new ATOM 0 HB2 LYS A 83 4.900 -12.899 -0.646 1.00 0.13 H new ATOM 0 HB3 LYS A 83 3.257 -12.548 -0.148 1.00 0.13 H new ATOM 0 HG2 LYS A 83 4.453 -13.628 1.687 1.00 2.30 H new ATOM 0 HG3 LYS A 83 3.172 -14.685 1.127 1.00 2.30 H new ATOM 0 HD2 LYS A 83 4.812 -16.035 -0.170 1.00 70.35 H new ATOM 0 HD3 LYS A 83 6.106 -14.949 0.296 1.00 70.35 H new ATOM 0 HE2 LYS A 83 4.476 -16.684 2.213 1.00 0.32 H new ATOM 0 HE3 LYS A 83 6.105 -17.029 1.667 1.00 0.32 H new ATOM 0 HZ1 LYS A 83 6.268 -16.027 3.782 1.00 70.05 H new ATOM 0 HZ2 LYS A 83 6.768 -14.847 2.669 1.00 70.05 H new ATOM 0 HZ3 LYS A 83 5.221 -14.758 3.363 1.00 70.05 H new ATOM 1386 N ALA A 84 0.968 -13.670 -1.748 1.00 51.12 N ATOM 1387 CA ALA A 84 -0.478 -13.989 -1.689 1.00 64.33 C ATOM 1388 C ALA A 84 -0.887 -14.960 -2.817 1.00 54.25 C ATOM 1389 O ALA A 84 -1.709 -15.861 -2.613 1.00 52.05 O ATOM 1390 CB ALA A 84 -1.315 -12.699 -1.760 1.00 60.23 C ATOM 0 H ALA A 84 1.162 -12.712 -2.038 1.00 51.12 H new ATOM 0 HA ALA A 84 -0.673 -14.483 -0.737 1.00 64.33 H new ATOM 0 HB1 ALA A 84 -2.375 -12.950 -1.716 1.00 60.23 H new ATOM 0 HB2 ALA A 84 -1.060 -12.053 -0.920 1.00 60.23 H new ATOM 0 HB3 ALA A 84 -1.104 -12.179 -2.695 1.00 60.23 H new