USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 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 -111:sc= -0.539 (180deg=-2.99!) USER MOD Set 1.2: A 70 MET CE :methyl 158:sc= -0.0455 (180deg=-0.129) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.04 (180deg=0.653) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0.6 (180deg=0.598) USER MOD Single : A 20 THR OG1 : rot -79:sc= 0.301 USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0.306 (180deg=0.161) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0.108 (180deg=0.00757) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= -0.178 (180deg=-0.18) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 MET CE :methyl -171:sc= -0.908 (180deg=-1.34) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 0.18 (180deg=0.0859) USER MOD Single : A 60 GLN : amide:sc= 0.0403 X(o=0.04,f=-0.032) USER MOD Single : A 61 MET CE :methyl -154:sc= -3.58! (180deg=-6.47!) USER MOD Single : A 62 TYR OH : rot 65:sc= 0.535 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.138 K(o=0.14,f=-5.5!) USER MOD Single : A 72 GLN : amide:sc= -0.0512 K(o=-0.051,f=-0.82) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0341) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.444 -13.374 7.527 1.00 11.12 N ATOM 114 CA LYS A 7 0.888 -12.780 7.221 1.00 12.32 C ATOM 115 C LYS A 7 0.822 -11.745 6.073 1.00 13.25 C ATOM 116 O LYS A 7 1.641 -10.819 6.019 1.00 62.05 O ATOM 117 CB LYS A 7 1.928 -13.886 6.934 1.00 75.32 C ATOM 118 CG LYS A 7 2.180 -14.848 8.122 1.00 14.14 C ATOM 119 CD LYS A 7 2.601 -14.104 9.413 1.00 44.22 C ATOM 120 CE LYS A 7 2.930 -15.061 10.572 1.00 62.31 C ATOM 121 NZ LYS A 7 3.250 -14.332 11.826 1.00 24.15 N ATOM 0 HA LYS A 7 1.211 -12.234 8.107 1.00 12.32 H new ATOM 0 HB2 LYS A 7 1.594 -14.468 6.075 1.00 75.32 H new ATOM 0 HB3 LYS A 7 2.872 -13.417 6.655 1.00 75.32 H new ATOM 0 HG2 LYS A 7 1.275 -15.423 8.317 1.00 14.14 H new ATOM 0 HG3 LYS A 7 2.958 -15.561 7.848 1.00 14.14 H new ATOM 0 HD2 LYS A 7 3.472 -13.484 9.202 1.00 44.22 H new ATOM 0 HD3 LYS A 7 1.798 -13.433 9.719 1.00 44.22 H new ATOM 0 HE2 LYS A 7 2.083 -15.724 10.745 1.00 62.31 H new ATOM 0 HE3 LYS A 7 3.775 -15.690 10.293 1.00 62.31 H new ATOM 0 HZ1 LYS A 7 3.465 -15.016 12.580 1.00 24.15 H new ATOM 0 HZ2 LYS A 7 4.075 -13.718 11.670 1.00 24.15 H new ATOM 0 HZ3 LYS A 7 2.434 -13.751 12.108 1.00 24.15 H new ATOM 135 N LEU A 8 -0.148 -11.931 5.156 1.00 30.44 N ATOM 136 CA LEU A 8 -0.496 -10.921 4.129 1.00 72.40 C ATOM 137 C LEU A 8 -0.864 -9.562 4.788 1.00 60.32 C ATOM 138 O LEU A 8 -0.233 -8.545 4.496 1.00 31.51 O ATOM 139 CB LEU A 8 -1.670 -11.437 3.227 1.00 65.24 C ATOM 140 CG LEU A 8 -1.279 -12.309 1.984 1.00 40.32 C ATOM 141 CD1 LEU A 8 -0.376 -13.502 2.361 1.00 32.21 C ATOM 142 CD2 LEU A 8 -2.545 -12.784 1.225 1.00 61.33 C ATOM 0 H LEU A 8 -0.711 -12.780 5.104 1.00 30.44 H new ATOM 0 HA LEU A 8 0.378 -10.762 3.498 1.00 72.40 H new ATOM 0 HB2 LEU A 8 -2.346 -12.021 3.852 1.00 65.24 H new ATOM 0 HB3 LEU A 8 -2.230 -10.572 2.872 1.00 65.24 H new ATOM 0 HG LEU A 8 -0.695 -11.673 1.319 1.00 40.32 H new ATOM 0 HD11 LEU A 8 -0.135 -14.073 1.465 1.00 32.21 H new ATOM 0 HD12 LEU A 8 0.544 -13.133 2.815 1.00 32.21 H new ATOM 0 HD13 LEU A 8 -0.898 -14.144 3.070 1.00 32.21 H new ATOM 0 HD21 LEU A 8 -2.250 -13.387 0.367 1.00 61.33 H new ATOM 0 HD22 LEU A 8 -3.166 -13.382 1.892 1.00 61.33 H new ATOM 0 HD23 LEU A 8 -3.110 -11.917 0.882 1.00 61.33 H new ATOM 154 N LEU A 9 -1.857 -9.572 5.712 1.00 11.03 N ATOM 155 CA LEU A 9 -2.326 -8.334 6.394 1.00 4.41 C ATOM 156 C LEU A 9 -1.305 -7.817 7.442 1.00 44.45 C ATOM 157 O LEU A 9 -1.263 -6.622 7.703 1.00 74.41 O ATOM 158 CB LEU A 9 -3.769 -8.515 6.991 1.00 2.00 C ATOM 159 CG LEU A 9 -4.015 -9.641 8.063 1.00 11.41 C ATOM 160 CD1 LEU A 9 -3.604 -9.222 9.495 1.00 40.52 C ATOM 161 CD2 LEU A 9 -5.482 -10.135 8.039 1.00 24.31 C ATOM 0 H LEU A 9 -2.348 -10.418 6.003 1.00 11.03 H new ATOM 0 HA LEU A 9 -2.396 -7.555 5.635 1.00 4.41 H new ATOM 0 HB2 LEU A 9 -4.062 -7.565 7.438 1.00 2.00 H new ATOM 0 HB3 LEU A 9 -4.449 -8.698 6.159 1.00 2.00 H new ATOM 0 HG LEU A 9 -3.363 -10.468 7.780 1.00 11.41 H new ATOM 0 HD11 LEU A 9 -3.800 -10.043 10.185 1.00 40.52 H new ATOM 0 HD12 LEU A 9 -2.542 -8.979 9.512 1.00 40.52 H new ATOM 0 HD13 LEU A 9 -4.181 -8.348 9.798 1.00 40.52 H new ATOM 0 HD21 LEU A 9 -5.617 -10.912 8.791 1.00 24.31 H new ATOM 0 HD22 LEU A 9 -6.150 -9.301 8.255 1.00 24.31 H new ATOM 0 HD23 LEU A 9 -5.713 -10.540 7.054 1.00 24.31 H new ATOM 173 N GLU A 10 -0.478 -8.718 8.017 1.00 41.20 N ATOM 174 CA GLU A 10 0.575 -8.350 9.002 1.00 12.24 C ATOM 175 C GLU A 10 1.619 -7.400 8.368 1.00 5.13 C ATOM 176 O GLU A 10 1.939 -6.345 8.937 1.00 60.41 O ATOM 177 CB GLU A 10 1.278 -9.626 9.564 1.00 52.41 C ATOM 178 CG GLU A 10 0.411 -10.515 10.484 1.00 45.23 C ATOM 179 CD GLU A 10 0.050 -9.854 11.827 1.00 24.15 C ATOM 180 OE1 GLU A 10 0.826 -10.009 12.797 1.00 31.02 O ATOM 181 OE2 GLU A 10 -1.006 -9.191 11.922 1.00 71.51 O ATOM 0 H GLU A 10 -0.517 -9.717 7.816 1.00 41.20 H new ATOM 0 HA GLU A 10 0.091 -7.828 9.827 1.00 12.24 H new ATOM 0 HB2 GLU A 10 1.621 -10.230 8.724 1.00 52.41 H new ATOM 0 HB3 GLU A 10 2.164 -9.317 10.118 1.00 52.41 H new ATOM 0 HG2 GLU A 10 -0.508 -10.776 9.960 1.00 45.23 H new ATOM 0 HG3 GLU A 10 0.942 -11.446 10.679 1.00 45.23 H new ATOM 188 N LYS A 11 2.133 -7.774 7.171 1.00 20.11 N ATOM 189 CA LYS A 11 3.100 -6.927 6.447 1.00 11.24 C ATOM 190 C LYS A 11 2.390 -5.723 5.788 1.00 71.25 C ATOM 191 O LYS A 11 2.958 -4.638 5.736 1.00 44.23 O ATOM 192 CB LYS A 11 3.911 -7.714 5.372 1.00 0.31 C ATOM 193 CG LYS A 11 5.118 -6.893 4.827 1.00 14.30 C ATOM 194 CD LYS A 11 5.953 -7.604 3.727 1.00 65.23 C ATOM 195 CE LYS A 11 5.331 -7.496 2.326 1.00 64.33 C ATOM 196 NZ LYS A 11 6.282 -7.907 1.259 1.00 24.03 N ATOM 0 H LYS A 11 1.896 -8.645 6.696 1.00 20.11 H new ATOM 0 HA LYS A 11 3.810 -6.570 7.193 1.00 11.24 H new ATOM 0 HB2 LYS A 11 4.274 -8.647 5.804 1.00 0.31 H new ATOM 0 HB3 LYS A 11 3.252 -7.980 4.545 1.00 0.31 H new ATOM 0 HG2 LYS A 11 4.745 -5.950 4.427 1.00 14.30 H new ATOM 0 HG3 LYS A 11 5.777 -6.647 5.660 1.00 14.30 H new ATOM 0 HD2 LYS A 11 6.954 -7.174 3.706 1.00 65.23 H new ATOM 0 HD3 LYS A 11 6.063 -8.657 3.988 1.00 65.23 H new ATOM 0 HE2 LYS A 11 4.439 -8.121 2.277 1.00 64.33 H new ATOM 0 HE3 LYS A 11 5.011 -6.469 2.150 1.00 64.33 H new ATOM 0 HZ1 LYS A 11 6.001 -7.472 0.357 1.00 24.03 H new ATOM 0 HZ2 LYS A 11 7.242 -7.594 1.510 1.00 24.03 H new ATOM 0 HZ3 LYS A 11 6.270 -8.942 1.163 1.00 24.03 H new ATOM 210 N LEU A 12 1.140 -5.928 5.303 1.00 53.33 N ATOM 211 CA LEU A 12 0.379 -4.883 4.570 1.00 21.34 C ATOM 212 C LEU A 12 0.070 -3.671 5.486 1.00 50.44 C ATOM 213 O LEU A 12 0.248 -2.532 5.074 1.00 22.52 O ATOM 214 CB LEU A 12 -0.920 -5.492 3.939 1.00 40.53 C ATOM 215 CG LEU A 12 -1.577 -4.724 2.727 1.00 32.41 C ATOM 216 CD1 LEU A 12 -2.391 -3.487 3.160 1.00 33.04 C ATOM 217 CD2 LEU A 12 -0.508 -4.341 1.671 1.00 52.33 C ATOM 0 H LEU A 12 0.636 -6.809 5.406 1.00 53.33 H new ATOM 0 HA LEU A 12 0.998 -4.511 3.753 1.00 21.34 H new ATOM 0 HB2 LEU A 12 -0.689 -6.505 3.609 1.00 40.53 H new ATOM 0 HB3 LEU A 12 -1.668 -5.577 4.727 1.00 40.53 H new ATOM 0 HG LEU A 12 -2.288 -5.415 2.275 1.00 32.41 H new ATOM 0 HD11 LEU A 12 -2.816 -3.005 2.280 1.00 33.04 H new ATOM 0 HD12 LEU A 12 -3.195 -3.796 3.828 1.00 33.04 H new ATOM 0 HD13 LEU A 12 -1.738 -2.785 3.679 1.00 33.04 H new ATOM 0 HD21 LEU A 12 -0.985 -3.813 0.845 1.00 52.33 H new ATOM 0 HD22 LEU A 12 0.242 -3.696 2.130 1.00 52.33 H new ATOM 0 HD23 LEU A 12 -0.028 -5.245 1.295 1.00 52.33 H new ATOM 229 N GLU A 13 -0.362 -3.939 6.731 1.00 62.44 N ATOM 230 CA GLU A 13 -0.584 -2.891 7.763 1.00 73.11 C ATOM 231 C GLU A 13 0.724 -2.105 8.076 1.00 32.44 C ATOM 232 O GLU A 13 0.687 -0.889 8.308 1.00 23.34 O ATOM 233 CB GLU A 13 -1.158 -3.535 9.056 1.00 61.11 C ATOM 234 CG GLU A 13 -2.596 -4.099 8.925 1.00 30.34 C ATOM 235 CD GLU A 13 -3.680 -3.014 8.825 1.00 12.53 C ATOM 236 OE1 GLU A 13 -4.051 -2.449 9.877 1.00 25.42 O ATOM 237 OE2 GLU A 13 -4.168 -2.711 7.715 1.00 73.00 O ATOM 0 H GLU A 13 -0.569 -4.883 7.057 1.00 62.44 H new ATOM 0 HA GLU A 13 -1.306 -2.176 7.368 1.00 73.11 H new ATOM 0 HB2 GLU A 13 -0.495 -4.342 9.367 1.00 61.11 H new ATOM 0 HB3 GLU A 13 -1.148 -2.789 9.851 1.00 61.11 H new ATOM 0 HG2 GLU A 13 -2.648 -4.734 8.041 1.00 30.34 H new ATOM 0 HG3 GLU A 13 -2.808 -4.733 9.786 1.00 30.34 H new ATOM 244 N LYS A 14 1.873 -2.821 8.074 1.00 15.03 N ATOM 245 CA LYS A 14 3.214 -2.197 8.232 1.00 63.44 C ATOM 246 C LYS A 14 3.641 -1.386 6.987 1.00 20.10 C ATOM 247 O LYS A 14 4.401 -0.418 7.116 1.00 11.13 O ATOM 248 CB LYS A 14 4.303 -3.263 8.598 1.00 12.10 C ATOM 249 CG LYS A 14 4.545 -3.438 10.116 1.00 73.54 C ATOM 250 CD LYS A 14 4.999 -2.117 10.802 1.00 4.22 C ATOM 251 CE LYS A 14 6.288 -1.525 10.188 1.00 11.43 C ATOM 252 NZ LYS A 14 6.655 -0.216 10.797 1.00 21.53 N ATOM 0 H LYS A 14 1.901 -3.835 7.965 1.00 15.03 H new ATOM 0 HA LYS A 14 3.129 -1.494 9.061 1.00 63.44 H new ATOM 0 HB2 LYS A 14 4.008 -4.224 8.177 1.00 12.10 H new ATOM 0 HB3 LYS A 14 5.243 -2.981 8.123 1.00 12.10 H new ATOM 0 HG2 LYS A 14 3.629 -3.793 10.588 1.00 73.54 H new ATOM 0 HG3 LYS A 14 5.303 -4.205 10.274 1.00 73.54 H new ATOM 0 HD2 LYS A 14 4.198 -1.382 10.727 1.00 4.22 H new ATOM 0 HD3 LYS A 14 5.162 -2.304 11.863 1.00 4.22 H new ATOM 0 HE2 LYS A 14 7.109 -2.229 10.324 1.00 11.43 H new ATOM 0 HE3 LYS A 14 6.151 -1.398 9.114 1.00 11.43 H new ATOM 0 HZ1 LYS A 14 7.543 0.125 10.377 1.00 21.53 H new ATOM 0 HZ2 LYS A 14 5.899 0.475 10.616 1.00 21.53 H new ATOM 0 HZ3 LYS A 14 6.779 -0.333 11.823 1.00 21.53 H new ATOM 266 N ILE A 15 3.169 -1.798 5.792 1.00 63.15 N ATOM 267 CA ILE A 15 3.368 -1.024 4.555 1.00 41.42 C ATOM 268 C ILE A 15 2.632 0.325 4.695 1.00 3.54 C ATOM 269 O ILE A 15 3.267 1.368 4.644 1.00 43.10 O ATOM 270 CB ILE A 15 2.898 -1.825 3.266 1.00 73.03 C ATOM 271 CG1 ILE A 15 3.809 -3.084 3.036 1.00 32.12 C ATOM 272 CG2 ILE A 15 2.871 -0.928 2.001 1.00 35.53 C ATOM 273 CD1 ILE A 15 3.400 -3.978 1.871 1.00 30.42 C ATOM 0 H ILE A 15 2.647 -2.664 5.661 1.00 63.15 H new ATOM 0 HA ILE A 15 4.433 -0.841 4.415 1.00 41.42 H new ATOM 0 HB ILE A 15 1.876 -2.160 3.445 1.00 73.03 H new ATOM 0 HG12 ILE A 15 4.832 -2.747 2.872 1.00 32.12 H new ATOM 0 HG13 ILE A 15 3.812 -3.681 3.948 1.00 32.12 H new ATOM 0 HG21 ILE A 15 2.544 -1.517 1.144 1.00 35.53 H new ATOM 0 HG22 ILE A 15 2.180 -0.100 2.157 1.00 35.53 H new ATOM 0 HG23 ILE A 15 3.870 -0.536 1.812 1.00 35.53 H new ATOM 0 HD11 ILE A 15 4.091 -4.818 1.797 1.00 30.42 H new ATOM 0 HD12 ILE A 15 2.390 -4.353 2.037 1.00 30.42 H new ATOM 0 HD13 ILE A 15 3.426 -3.404 0.945 1.00 30.42 H new ATOM 285 N LEU A 16 1.311 0.263 4.988 1.00 3.32 N ATOM 286 CA LEU A 16 0.435 1.453 5.194 1.00 2.32 C ATOM 287 C LEU A 16 1.037 2.456 6.211 1.00 24.22 C ATOM 288 O LEU A 16 1.011 3.664 5.992 1.00 2.45 O ATOM 289 CB LEU A 16 -0.971 1.009 5.701 1.00 64.42 C ATOM 290 CG LEU A 16 -1.713 -0.059 4.842 1.00 30.42 C ATOM 291 CD1 LEU A 16 -3.042 -0.492 5.498 1.00 14.40 C ATOM 292 CD2 LEU A 16 -1.932 0.422 3.397 1.00 53.24 C ATOM 0 H LEU A 16 0.814 -0.622 5.090 1.00 3.32 H new ATOM 0 HA LEU A 16 0.351 1.952 4.228 1.00 2.32 H new ATOM 0 HB2 LEU A 16 -0.861 0.618 6.712 1.00 64.42 H new ATOM 0 HB3 LEU A 16 -1.605 1.893 5.768 1.00 64.42 H new ATOM 0 HG LEU A 16 -1.068 -0.937 4.797 1.00 30.42 H new ATOM 0 HD11 LEU A 16 -3.531 -1.237 4.871 1.00 14.40 H new ATOM 0 HD12 LEU A 16 -2.841 -0.920 6.480 1.00 14.40 H new ATOM 0 HD13 LEU A 16 -3.694 0.375 5.607 1.00 14.40 H new ATOM 0 HD21 LEU A 16 -2.452 -0.351 2.831 1.00 53.24 H new ATOM 0 HD22 LEU A 16 -2.531 1.332 3.403 1.00 53.24 H new ATOM 0 HD23 LEU A 16 -0.968 0.626 2.931 1.00 53.24 H new ATOM 304 N ASP A 17 1.595 1.899 7.302 1.00 43.32 N ATOM 305 CA ASP A 17 2.248 2.659 8.393 1.00 43.45 C ATOM 306 C ASP A 17 3.377 3.580 7.856 1.00 25.12 C ATOM 307 O ASP A 17 3.416 4.778 8.158 1.00 1.22 O ATOM 308 CB ASP A 17 2.810 1.629 9.415 1.00 21.00 C ATOM 309 CG ASP A 17 3.590 2.247 10.589 1.00 42.33 C ATOM 310 OD1 ASP A 17 2.955 2.833 11.493 1.00 53.02 O ATOM 311 OD2 ASP A 17 4.840 2.146 10.616 1.00 1.04 O ATOM 0 H ASP A 17 1.607 0.891 7.456 1.00 43.32 H new ATOM 0 HA ASP A 17 1.520 3.314 8.872 1.00 43.45 H new ATOM 0 HB2 ASP A 17 1.981 1.045 9.815 1.00 21.00 H new ATOM 0 HB3 ASP A 17 3.464 0.934 8.888 1.00 21.00 H new ATOM 316 N GLU A 18 4.273 2.993 7.048 1.00 20.33 N ATOM 317 CA GLU A 18 5.447 3.698 6.486 1.00 24.51 C ATOM 318 C GLU A 18 5.101 4.546 5.225 1.00 32.00 C ATOM 319 O GLU A 18 5.785 5.542 4.951 1.00 42.44 O ATOM 320 CB GLU A 18 6.555 2.666 6.189 1.00 10.42 C ATOM 321 CG GLU A 18 7.013 1.861 7.423 1.00 75.14 C ATOM 322 CD GLU A 18 8.110 0.835 7.102 1.00 33.31 C ATOM 323 OE1 GLU A 18 9.274 1.247 6.910 1.00 33.04 O ATOM 324 OE2 GLU A 18 7.824 -0.384 7.046 1.00 70.13 O ATOM 0 H GLU A 18 4.209 2.016 6.763 1.00 20.33 H new ATOM 0 HA GLU A 18 5.801 4.414 7.227 1.00 24.51 H new ATOM 0 HB2 GLU A 18 6.196 1.972 5.429 1.00 10.42 H new ATOM 0 HB3 GLU A 18 7.416 3.184 5.767 1.00 10.42 H new ATOM 0 HG2 GLU A 18 7.380 2.551 8.183 1.00 75.14 H new ATOM 0 HG3 GLU A 18 6.154 1.344 7.851 1.00 75.14 H new ATOM 331 N VAL A 19 4.042 4.156 4.466 1.00 51.31 N ATOM 332 CA VAL A 19 3.596 4.911 3.260 1.00 44.51 C ATOM 333 C VAL A 19 2.969 6.264 3.673 1.00 32.34 C ATOM 334 O VAL A 19 3.318 7.299 3.119 1.00 4.23 O ATOM 335 CB VAL A 19 2.553 4.126 2.355 1.00 32.24 C ATOM 336 CG1 VAL A 19 2.165 4.942 1.096 1.00 40.04 C ATOM 337 CG2 VAL A 19 3.079 2.752 1.922 1.00 44.51 C ATOM 0 H VAL A 19 3.482 3.327 4.666 1.00 51.31 H new ATOM 0 HA VAL A 19 4.496 5.060 2.663 1.00 44.51 H new ATOM 0 HB VAL A 19 1.669 3.979 2.975 1.00 32.24 H new ATOM 0 HG11 VAL A 19 1.450 4.374 0.500 1.00 40.04 H new ATOM 0 HG12 VAL A 19 1.715 5.887 1.399 1.00 40.04 H new ATOM 0 HG13 VAL A 19 3.057 5.139 0.501 1.00 40.04 H new ATOM 0 HG21 VAL A 19 2.331 2.254 1.305 1.00 44.51 H new ATOM 0 HG22 VAL A 19 3.997 2.878 1.348 1.00 44.51 H new ATOM 0 HG23 VAL A 19 3.284 2.146 2.805 1.00 44.51 H new ATOM 347 N THR A 20 2.040 6.226 4.660 1.00 40.41 N ATOM 348 CA THR A 20 1.346 7.438 5.185 1.00 11.33 C ATOM 349 C THR A 20 2.343 8.420 5.843 1.00 1.10 C ATOM 350 O THR A 20 2.232 9.638 5.675 1.00 53.11 O ATOM 351 CB THR A 20 0.246 7.083 6.245 1.00 40.22 C ATOM 352 OG1 THR A 20 0.836 6.382 7.350 1.00 54.42 O ATOM 353 CG2 THR A 20 -0.892 6.231 5.659 1.00 74.13 C ATOM 0 H THR A 20 1.749 5.361 5.115 1.00 40.41 H new ATOM 0 HA THR A 20 0.874 7.904 4.320 1.00 11.33 H new ATOM 0 HB THR A 20 -0.185 8.027 6.577 1.00 40.22 H new ATOM 0 HG1 THR A 20 0.978 5.444 7.104 1.00 54.42 H new ATOM 0 HG21 THR A 20 -1.624 6.016 6.438 1.00 74.13 H new ATOM 0 HG22 THR A 20 -1.375 6.777 4.848 1.00 74.13 H new ATOM 0 HG23 THR A 20 -0.485 5.295 5.275 1.00 74.13 H new ATOM 361 N ASP A 21 3.312 7.859 6.592 1.00 64.33 N ATOM 362 CA ASP A 21 4.380 8.633 7.265 1.00 43.20 C ATOM 363 C ASP A 21 5.329 9.313 6.236 1.00 31.12 C ATOM 364 O ASP A 21 5.712 10.478 6.406 1.00 44.54 O ATOM 365 CB ASP A 21 5.169 7.696 8.217 1.00 12.14 C ATOM 366 CG ASP A 21 6.242 8.423 9.043 1.00 4.40 C ATOM 367 OD1 ASP A 21 5.882 9.148 9.996 1.00 23.52 O ATOM 368 OD2 ASP A 21 7.445 8.280 8.748 1.00 51.21 O ATOM 0 H ASP A 21 3.379 6.853 6.749 1.00 64.33 H new ATOM 0 HA ASP A 21 3.920 9.432 7.847 1.00 43.20 H new ATOM 0 HB2 ASP A 21 4.469 7.207 8.895 1.00 12.14 H new ATOM 0 HB3 ASP A 21 5.644 6.911 7.629 1.00 12.14 H new ATOM 373 N GLY A 22 5.687 8.571 5.172 1.00 33.12 N ATOM 374 CA GLY A 22 6.543 9.092 4.083 1.00 11.31 C ATOM 375 C GLY A 22 5.784 9.923 3.035 1.00 30.14 C ATOM 376 O GLY A 22 6.401 10.586 2.195 1.00 2.12 O ATOM 0 H GLY A 22 5.396 7.602 5.040 1.00 33.12 H new ATOM 0 HA2 GLY A 22 7.332 9.706 4.517 1.00 11.31 H new ATOM 0 HA3 GLY A 22 7.030 8.254 3.584 1.00 11.31 H new ATOM 380 N ALA A 23 4.442 9.864 3.084 1.00 51.45 N ATOM 381 CA ALA A 23 3.541 10.619 2.183 1.00 13.15 C ATOM 382 C ALA A 23 3.564 12.153 2.421 1.00 12.20 C ATOM 383 O ALA A 23 3.699 12.609 3.563 1.00 14.22 O ATOM 384 CB ALA A 23 2.101 10.125 2.361 1.00 1.20 C ATOM 0 H ALA A 23 3.942 9.284 3.758 1.00 51.45 H new ATOM 0 HA ALA A 23 3.905 10.439 1.172 1.00 13.15 H new ATOM 0 HB1 ALA A 23 1.440 10.682 1.697 1.00 1.20 H new ATOM 0 HB2 ALA A 23 2.048 9.064 2.119 1.00 1.20 H new ATOM 0 HB3 ALA A 23 1.789 10.277 3.394 1.00 1.20 H new ATOM 390 N PRO A 24 3.436 12.975 1.328 1.00 1.33 N ATOM 391 CA PRO A 24 3.037 14.408 1.437 1.00 15.11 C ATOM 392 C PRO A 24 1.574 14.565 1.932 1.00 32.25 C ATOM 393 O PRO A 24 0.801 13.609 1.880 1.00 14.54 O ATOM 394 CB PRO A 24 3.184 14.944 -0.018 1.00 34.12 C ATOM 395 CG PRO A 24 4.050 13.938 -0.717 1.00 73.51 C ATOM 396 CD PRO A 24 3.733 12.605 -0.076 1.00 31.41 C ATOM 0 HA PRO A 24 3.647 14.950 2.160 1.00 15.11 H new ATOM 0 HB2 PRO A 24 2.213 15.035 -0.505 1.00 34.12 H new ATOM 0 HB3 PRO A 24 3.641 15.934 -0.030 1.00 34.12 H new ATOM 0 HG2 PRO A 24 3.840 13.917 -1.786 1.00 73.51 H new ATOM 0 HG3 PRO A 24 5.106 14.185 -0.604 1.00 73.51 H new ATOM 0 HD2 PRO A 24 2.883 12.119 -0.554 1.00 31.41 H new ATOM 0 HD3 PRO A 24 4.574 11.915 -0.143 1.00 31.41 H new ATOM 404 N ASP A 25 1.200 15.786 2.355 1.00 61.22 N ATOM 405 CA ASP A 25 -0.144 16.092 2.936 1.00 40.33 C ATOM 406 C ASP A 25 -1.327 15.748 1.973 1.00 24.12 C ATOM 407 O ASP A 25 -2.374 15.251 2.411 1.00 35.22 O ATOM 408 CB ASP A 25 -0.199 17.588 3.361 1.00 51.55 C ATOM 409 CG ASP A 25 0.043 18.569 2.190 1.00 33.24 C ATOM 410 OD1 ASP A 25 1.179 18.620 1.675 1.00 73.30 O ATOM 411 OD2 ASP A 25 -0.895 19.289 1.782 1.00 12.24 O ATOM 0 H ASP A 25 1.815 16.599 2.309 1.00 61.22 H new ATOM 0 HA ASP A 25 -0.271 15.451 3.809 1.00 40.33 H new ATOM 0 HB2 ASP A 25 -1.173 17.796 3.804 1.00 51.55 H new ATOM 0 HB3 ASP A 25 0.548 17.766 4.134 1.00 51.55 H new ATOM 416 N GLU A 26 -1.133 16.014 0.665 1.00 13.11 N ATOM 417 CA GLU A 26 -2.158 15.776 -0.387 1.00 2.31 C ATOM 418 C GLU A 26 -2.318 14.270 -0.699 1.00 71.32 C ATOM 419 O GLU A 26 -3.434 13.734 -0.720 1.00 4.23 O ATOM 420 CB GLU A 26 -1.771 16.531 -1.687 1.00 64.11 C ATOM 421 CG GLU A 26 -1.511 18.032 -1.488 1.00 12.33 C ATOM 422 CD GLU A 26 -1.246 18.781 -2.801 1.00 50.14 C ATOM 423 OE1 GLU A 26 -2.211 19.027 -3.556 1.00 15.44 O ATOM 424 OE2 GLU A 26 -0.072 19.109 -3.095 1.00 73.10 O ATOM 0 H GLU A 26 -0.262 16.401 0.302 1.00 13.11 H new ATOM 0 HA GLU A 26 -3.109 16.149 -0.008 1.00 2.31 H new ATOM 0 HB2 GLU A 26 -0.877 16.071 -2.109 1.00 64.11 H new ATOM 0 HB3 GLU A 26 -2.569 16.406 -2.418 1.00 64.11 H new ATOM 0 HG2 GLU A 26 -2.371 18.480 -0.989 1.00 12.33 H new ATOM 0 HG3 GLU A 26 -0.655 18.161 -0.825 1.00 12.33 H new ATOM 431 N ALA A 27 -1.173 13.613 -0.959 1.00 24.12 N ATOM 432 CA ALA A 27 -1.110 12.172 -1.296 1.00 10.11 C ATOM 433 C ALA A 27 -1.594 11.288 -0.122 1.00 44.44 C ATOM 434 O ALA A 27 -2.218 10.251 -0.335 1.00 41.02 O ATOM 435 CB ALA A 27 0.324 11.811 -1.710 1.00 44.31 C ATOM 0 H ALA A 27 -0.259 14.066 -0.942 1.00 24.12 H new ATOM 0 HA ALA A 27 -1.784 11.978 -2.131 1.00 10.11 H new ATOM 0 HB1 ALA A 27 0.375 10.751 -1.959 1.00 44.31 H new ATOM 0 HB2 ALA A 27 0.611 12.402 -2.579 1.00 44.31 H new ATOM 0 HB3 ALA A 27 1.005 12.023 -0.886 1.00 44.31 H new ATOM 441 N ARG A 28 -1.319 11.759 1.113 1.00 22.01 N ATOM 442 CA ARG A 28 -1.713 11.090 2.378 1.00 0.41 C ATOM 443 C ARG A 28 -3.236 10.824 2.455 1.00 22.34 C ATOM 444 O ARG A 28 -3.659 9.808 2.995 1.00 21.31 O ATOM 445 CB ARG A 28 -1.258 11.960 3.582 1.00 34.54 C ATOM 446 CG ARG A 28 -1.626 11.403 4.972 1.00 50.13 C ATOM 447 CD ARG A 28 -1.238 12.349 6.116 1.00 23.53 C ATOM 448 NE ARG A 28 -1.766 11.876 7.406 1.00 1.41 N ATOM 449 CZ ARG A 28 -1.202 12.051 8.578 1.00 55.14 C ATOM 450 NH1 ARG A 28 -0.049 12.628 8.699 1.00 73.34 N ATOM 451 NH2 ARG A 28 -1.807 11.634 9.636 1.00 70.53 N ATOM 0 H ARG A 28 -0.809 12.629 1.265 1.00 22.01 H new ATOM 0 HA ARG A 28 -1.220 10.118 2.410 1.00 0.41 H new ATOM 0 HB2 ARG A 28 -0.176 12.083 3.532 1.00 34.54 H new ATOM 0 HB3 ARG A 28 -1.696 12.953 3.478 1.00 34.54 H new ATOM 0 HG2 ARG A 28 -2.699 11.216 5.010 1.00 50.13 H new ATOM 0 HG3 ARG A 28 -1.130 10.443 5.116 1.00 50.13 H new ATOM 0 HD2 ARG A 28 -0.152 12.428 6.172 1.00 23.53 H new ATOM 0 HD3 ARG A 28 -1.620 13.349 5.909 1.00 23.53 H new ATOM 0 HE ARG A 28 -2.649 11.367 7.387 1.00 1.41 H new ATOM 0 HH11 ARG A 28 0.445 12.960 7.870 1.00 73.34 H new ATOM 0 HH12 ARG A 28 0.365 12.751 9.623 1.00 73.34 H new ATOM 0 HH21 ARG A 28 -2.714 11.174 9.557 1.00 70.53 H new ATOM 0 HH22 ARG A 28 -1.379 11.764 10.553 1.00 70.53 H new ATOM 465 N GLU A 29 -4.038 11.755 1.904 1.00 53.43 N ATOM 466 CA GLU A 29 -5.509 11.604 1.808 1.00 43.53 C ATOM 467 C GLU A 29 -5.898 10.327 1.023 1.00 51.34 C ATOM 468 O GLU A 29 -6.719 9.534 1.481 1.00 63.21 O ATOM 469 CB GLU A 29 -6.127 12.848 1.119 1.00 22.52 C ATOM 470 CG GLU A 29 -5.876 14.191 1.837 1.00 72.04 C ATOM 471 CD GLU A 29 -6.519 14.268 3.233 1.00 11.03 C ATOM 472 OE1 GLU A 29 -7.771 14.241 3.318 1.00 31.54 O ATOM 473 OE2 GLU A 29 -5.791 14.366 4.244 1.00 70.11 O ATOM 0 H GLU A 29 -3.690 12.631 1.513 1.00 53.43 H new ATOM 0 HA GLU A 29 -5.901 11.513 2.821 1.00 43.53 H new ATOM 0 HB2 GLU A 29 -5.731 12.917 0.106 1.00 22.52 H new ATOM 0 HB3 GLU A 29 -7.203 12.697 1.031 1.00 22.52 H new ATOM 0 HG2 GLU A 29 -4.802 14.349 1.931 1.00 72.04 H new ATOM 0 HG3 GLU A 29 -6.265 15.002 1.221 1.00 72.04 H new ATOM 480 N ARG A 30 -5.287 10.145 -0.161 1.00 34.32 N ATOM 481 CA ARG A 30 -5.510 8.951 -1.011 1.00 32.42 C ATOM 482 C ARG A 30 -5.086 7.663 -0.297 1.00 13.32 C ATOM 483 O ARG A 30 -5.763 6.641 -0.386 1.00 32.45 O ATOM 484 CB ARG A 30 -4.742 9.093 -2.356 1.00 11.11 C ATOM 485 CG ARG A 30 -5.353 10.133 -3.305 1.00 73.45 C ATOM 486 CD ARG A 30 -6.756 9.719 -3.784 1.00 51.03 C ATOM 487 NE ARG A 30 -6.718 8.605 -4.746 1.00 43.32 N ATOM 488 CZ ARG A 30 -7.599 8.383 -5.697 1.00 15.02 C ATOM 489 NH1 ARG A 30 -8.635 9.147 -5.860 1.00 50.12 N ATOM 490 NH2 ARG A 30 -7.420 7.385 -6.490 1.00 51.40 N ATOM 0 H ARG A 30 -4.628 10.814 -0.558 1.00 34.32 H new ATOM 0 HA ARG A 30 -6.579 8.886 -1.214 1.00 32.42 H new ATOM 0 HB2 ARG A 30 -3.708 9.367 -2.147 1.00 11.11 H new ATOM 0 HB3 ARG A 30 -4.720 8.125 -2.856 1.00 11.11 H new ATOM 0 HG2 ARG A 30 -5.412 11.096 -2.798 1.00 73.45 H new ATOM 0 HG3 ARG A 30 -4.700 10.266 -4.167 1.00 73.45 H new ATOM 0 HD2 ARG A 30 -7.360 9.431 -2.923 1.00 51.03 H new ATOM 0 HD3 ARG A 30 -7.247 10.576 -4.245 1.00 51.03 H new ATOM 0 HE ARG A 30 -5.941 7.949 -4.668 1.00 43.32 H new ATOM 0 HH11 ARG A 30 -8.783 9.945 -5.242 1.00 50.12 H new ATOM 0 HH12 ARG A 30 -9.302 8.950 -6.607 1.00 50.12 H new ATOM 0 HH21 ARG A 30 -6.605 6.782 -6.375 1.00 51.40 H new ATOM 0 HH22 ARG A 30 -8.093 7.197 -7.233 1.00 51.40 H new ATOM 504 N ILE A 31 -3.971 7.745 0.434 1.00 64.12 N ATOM 505 CA ILE A 31 -3.350 6.577 1.066 1.00 62.11 C ATOM 506 C ILE A 31 -4.140 6.091 2.298 1.00 72.42 C ATOM 507 O ILE A 31 -4.412 4.904 2.409 1.00 74.11 O ATOM 508 CB ILE A 31 -1.858 6.876 1.453 1.00 51.11 C ATOM 509 CG1 ILE A 31 -1.074 7.320 0.183 1.00 14.32 C ATOM 510 CG2 ILE A 31 -1.190 5.643 2.119 1.00 51.45 C ATOM 511 CD1 ILE A 31 0.291 7.913 0.431 1.00 42.04 C ATOM 0 H ILE A 31 -3.475 8.620 0.604 1.00 64.12 H new ATOM 0 HA ILE A 31 -3.367 5.773 0.331 1.00 62.11 H new ATOM 0 HB ILE A 31 -1.839 7.684 2.184 1.00 51.11 H new ATOM 0 HG12 ILE A 31 -0.961 6.456 -0.472 1.00 14.32 H new ATOM 0 HG13 ILE A 31 -1.676 8.052 -0.355 1.00 14.32 H new ATOM 0 HG21 ILE A 31 -0.158 5.882 2.375 1.00 51.45 H new ATOM 0 HG22 ILE A 31 -1.736 5.378 3.024 1.00 51.45 H new ATOM 0 HG23 ILE A 31 -1.206 4.802 1.426 1.00 51.45 H new ATOM 0 HD11 ILE A 31 0.747 8.187 -0.520 1.00 42.04 H new ATOM 0 HD12 ILE A 31 0.194 8.801 1.056 1.00 42.04 H new ATOM 0 HD13 ILE A 31 0.920 7.180 0.937 1.00 42.04 H new ATOM 523 N GLU A 32 -4.517 7.023 3.202 1.00 14.41 N ATOM 524 CA GLU A 32 -5.215 6.677 4.469 1.00 60.22 C ATOM 525 C GLU A 32 -6.639 6.153 4.198 1.00 62.53 C ATOM 526 O GLU A 32 -7.071 5.160 4.788 1.00 15.10 O ATOM 527 CB GLU A 32 -5.314 7.908 5.412 1.00 24.31 C ATOM 528 CG GLU A 32 -3.974 8.431 5.961 1.00 73.12 C ATOM 529 CD GLU A 32 -4.158 9.607 6.937 1.00 30.02 C ATOM 530 OE1 GLU A 32 -4.618 10.680 6.501 1.00 41.54 O ATOM 531 OE2 GLU A 32 -3.846 9.469 8.144 1.00 72.04 O ATOM 0 H GLU A 32 -4.351 8.022 3.081 1.00 14.41 H new ATOM 0 HA GLU A 32 -4.624 5.896 4.949 1.00 60.22 H new ATOM 0 HB2 GLU A 32 -5.807 8.717 4.874 1.00 24.31 H new ATOM 0 HB3 GLU A 32 -5.955 7.648 6.254 1.00 24.31 H new ATOM 0 HG2 GLU A 32 -3.451 7.620 6.468 1.00 73.12 H new ATOM 0 HG3 GLU A 32 -3.343 8.747 5.130 1.00 73.12 H new ATOM 538 N LYS A 33 -7.350 6.851 3.298 1.00 52.23 N ATOM 539 CA LYS A 33 -8.762 6.564 2.974 1.00 23.53 C ATOM 540 C LYS A 33 -8.897 5.264 2.134 1.00 31.14 C ATOM 541 O LYS A 33 -9.888 4.530 2.273 1.00 23.34 O ATOM 542 CB LYS A 33 -9.416 7.802 2.269 1.00 50.35 C ATOM 543 CG LYS A 33 -9.781 8.995 3.220 1.00 25.20 C ATOM 544 CD LYS A 33 -8.574 9.575 4.012 1.00 64.23 C ATOM 545 CE LYS A 33 -8.955 10.695 4.998 1.00 12.44 C ATOM 546 NZ LYS A 33 -9.428 11.925 4.318 1.00 43.22 N ATOM 0 H LYS A 33 -6.963 7.634 2.771 1.00 52.23 H new ATOM 0 HA LYS A 33 -9.306 6.387 3.902 1.00 23.53 H new ATOM 0 HB2 LYS A 33 -8.733 8.166 1.501 1.00 50.35 H new ATOM 0 HB3 LYS A 33 -10.322 7.474 1.760 1.00 50.35 H new ATOM 0 HG2 LYS A 33 -10.229 9.793 2.627 1.00 25.20 H new ATOM 0 HG3 LYS A 33 -10.539 8.661 3.929 1.00 25.20 H new ATOM 0 HD2 LYS A 33 -8.092 8.768 4.563 1.00 64.23 H new ATOM 0 HD3 LYS A 33 -7.840 9.961 3.305 1.00 64.23 H new ATOM 0 HE2 LYS A 33 -9.735 10.333 5.668 1.00 12.44 H new ATOM 0 HE3 LYS A 33 -8.091 10.937 5.617 1.00 12.44 H new ATOM 0 HZ1 LYS A 33 -10.112 12.417 4.927 1.00 43.22 H new ATOM 0 HZ2 LYS A 33 -8.619 12.551 4.130 1.00 43.22 H new ATOM 0 HZ3 LYS A 33 -9.885 11.671 3.419 1.00 43.22 H new ATOM 560 N LEU A 34 -7.889 4.977 1.274 1.00 72.33 N ATOM 561 CA LEU A 34 -7.807 3.676 0.560 1.00 34.43 C ATOM 562 C LEU A 34 -7.397 2.543 1.530 1.00 64.22 C ATOM 563 O LEU A 34 -7.968 1.458 1.485 1.00 63.14 O ATOM 564 CB LEU A 34 -6.821 3.732 -0.639 1.00 51.21 C ATOM 565 CG LEU A 34 -6.710 2.425 -1.500 1.00 65.34 C ATOM 566 CD1 LEU A 34 -8.072 2.043 -2.135 1.00 55.14 C ATOM 567 CD2 LEU A 34 -5.611 2.557 -2.581 1.00 43.54 C ATOM 0 H LEU A 34 -7.128 5.621 1.058 1.00 72.33 H new ATOM 0 HA LEU A 34 -8.801 3.465 0.165 1.00 34.43 H new ATOM 0 HB2 LEU A 34 -7.122 4.550 -1.293 1.00 51.21 H new ATOM 0 HB3 LEU A 34 -5.830 3.977 -0.258 1.00 51.21 H new ATOM 0 HG LEU A 34 -6.423 1.617 -0.827 1.00 65.34 H new ATOM 0 HD11 LEU A 34 -7.956 1.133 -2.724 1.00 55.14 H new ATOM 0 HD12 LEU A 34 -8.806 1.875 -1.347 1.00 55.14 H new ATOM 0 HD13 LEU A 34 -8.412 2.852 -2.781 1.00 55.14 H new ATOM 0 HD21 LEU A 34 -5.558 1.636 -3.161 1.00 43.54 H new ATOM 0 HD22 LEU A 34 -5.850 3.389 -3.243 1.00 43.54 H new ATOM 0 HD23 LEU A 34 -4.649 2.739 -2.102 1.00 43.54 H new ATOM 579 N ALA A 35 -6.414 2.826 2.413 1.00 73.05 N ATOM 580 CA ALA A 35 -5.921 1.872 3.447 1.00 33.44 C ATOM 581 C ALA A 35 -7.056 1.394 4.369 1.00 34.13 C ATOM 582 O ALA A 35 -7.133 0.219 4.722 1.00 33.05 O ATOM 583 CB ALA A 35 -4.816 2.531 4.289 1.00 33.15 C ATOM 0 H ALA A 35 -5.934 3.726 2.434 1.00 73.05 H new ATOM 0 HA ALA A 35 -5.520 1.002 2.927 1.00 33.44 H new ATOM 0 HB1 ALA A 35 -4.463 1.826 5.041 1.00 33.15 H new ATOM 0 HB2 ALA A 35 -3.987 2.817 3.642 1.00 33.15 H new ATOM 0 HB3 ALA A 35 -5.214 3.418 4.782 1.00 33.15 H new ATOM 589 N LYS A 36 -7.921 2.344 4.741 1.00 61.41 N ATOM 590 CA LYS A 36 -9.146 2.097 5.519 1.00 22.32 C ATOM 591 C LYS A 36 -10.089 1.133 4.766 1.00 72.24 C ATOM 592 O LYS A 36 -10.567 0.151 5.333 1.00 13.32 O ATOM 593 CB LYS A 36 -9.838 3.456 5.784 1.00 73.42 C ATOM 594 CG LYS A 36 -11.164 3.382 6.568 1.00 73.14 C ATOM 595 CD LYS A 36 -11.787 4.779 6.774 1.00 53.40 C ATOM 596 CE LYS A 36 -13.177 4.733 7.424 1.00 13.53 C ATOM 597 NZ LYS A 36 -13.749 6.095 7.590 1.00 33.22 N ATOM 0 H LYS A 36 -7.789 3.328 4.506 1.00 61.41 H new ATOM 0 HA LYS A 36 -8.893 1.624 6.468 1.00 22.32 H new ATOM 0 HB2 LYS A 36 -9.147 4.096 6.333 1.00 73.42 H new ATOM 0 HB3 LYS A 36 -10.028 3.940 4.826 1.00 73.42 H new ATOM 0 HG2 LYS A 36 -11.868 2.746 6.032 1.00 73.14 H new ATOM 0 HG3 LYS A 36 -10.987 2.916 7.538 1.00 73.14 H new ATOM 0 HD2 LYS A 36 -11.122 5.378 7.396 1.00 53.40 H new ATOM 0 HD3 LYS A 36 -11.861 5.282 5.810 1.00 53.40 H new ATOM 0 HE2 LYS A 36 -13.846 4.129 6.811 1.00 13.53 H new ATOM 0 HE3 LYS A 36 -13.109 4.246 8.397 1.00 13.53 H new ATOM 0 HZ1 LYS A 36 -14.688 6.026 8.032 1.00 33.22 H new ATOM 0 HZ2 LYS A 36 -13.123 6.663 8.195 1.00 33.22 H new ATOM 0 HZ3 LYS A 36 -13.837 6.550 6.659 1.00 33.22 H new ATOM 611 N ASP A 37 -10.295 1.414 3.465 1.00 1.23 N ATOM 612 CA ASP A 37 -11.152 0.590 2.575 1.00 34.43 C ATOM 613 C ASP A 37 -10.572 -0.849 2.396 1.00 42.44 C ATOM 614 O ASP A 37 -11.325 -1.812 2.233 1.00 52.52 O ATOM 615 CB ASP A 37 -11.310 1.312 1.210 1.00 54.42 C ATOM 616 CG ASP A 37 -12.478 0.777 0.368 1.00 64.31 C ATOM 617 OD1 ASP A 37 -13.642 1.098 0.693 1.00 31.32 O ATOM 618 OD2 ASP A 37 -12.250 0.061 -0.625 1.00 1.43 O ATOM 0 H ASP A 37 -9.875 2.217 2.997 1.00 1.23 H new ATOM 0 HA ASP A 37 -12.134 0.476 3.033 1.00 34.43 H new ATOM 0 HB2 ASP A 37 -11.457 2.378 1.386 1.00 54.42 H new ATOM 0 HB3 ASP A 37 -10.385 1.207 0.643 1.00 54.42 H new ATOM 623 N VAL A 38 -9.218 -0.971 2.447 1.00 72.44 N ATOM 624 CA VAL A 38 -8.513 -2.280 2.420 1.00 23.21 C ATOM 625 C VAL A 38 -8.858 -3.108 3.682 1.00 25.51 C ATOM 626 O VAL A 38 -9.081 -4.305 3.583 1.00 74.24 O ATOM 627 CB VAL A 38 -6.933 -2.127 2.311 1.00 1.22 C ATOM 628 CG1 VAL A 38 -6.216 -3.502 2.337 1.00 74.11 C ATOM 629 CG2 VAL A 38 -6.514 -1.335 1.046 1.00 53.01 C ATOM 0 H VAL A 38 -8.589 -0.170 2.508 1.00 72.44 H new ATOM 0 HA VAL A 38 -8.859 -2.797 1.525 1.00 23.21 H new ATOM 0 HB VAL A 38 -6.620 -1.561 3.188 1.00 1.22 H new ATOM 0 HG11 VAL A 38 -5.139 -3.352 2.260 1.00 74.11 H new ATOM 0 HG12 VAL A 38 -6.446 -4.014 3.271 1.00 74.11 H new ATOM 0 HG13 VAL A 38 -6.559 -4.107 1.498 1.00 74.11 H new ATOM 0 HG21 VAL A 38 -5.428 -1.254 1.011 1.00 53.01 H new ATOM 0 HG22 VAL A 38 -6.868 -1.856 0.157 1.00 53.01 H new ATOM 0 HG23 VAL A 38 -6.951 -0.337 1.080 1.00 53.01 H new ATOM 639 N LYS A 39 -8.919 -2.435 4.853 1.00 24.31 N ATOM 640 CA LYS A 39 -9.225 -3.081 6.161 1.00 1.20 C ATOM 641 C LYS A 39 -10.635 -3.719 6.177 1.00 25.23 C ATOM 642 O LYS A 39 -10.835 -4.786 6.765 1.00 64.52 O ATOM 643 CB LYS A 39 -9.101 -2.045 7.308 1.00 74.44 C ATOM 644 CG LYS A 39 -7.711 -1.378 7.418 1.00 3.34 C ATOM 645 CD LYS A 39 -7.716 -0.144 8.353 1.00 53.42 C ATOM 646 CE LYS A 39 -6.394 0.640 8.317 1.00 31.45 C ATOM 647 NZ LYS A 39 -5.255 -0.145 8.848 1.00 42.02 N ATOM 0 H LYS A 39 -8.759 -1.430 4.924 1.00 24.31 H new ATOM 0 HA LYS A 39 -8.499 -3.881 6.309 1.00 1.20 H new ATOM 0 HB2 LYS A 39 -9.853 -1.269 7.163 1.00 74.44 H new ATOM 0 HB3 LYS A 39 -9.330 -2.538 8.253 1.00 74.44 H new ATOM 0 HG2 LYS A 39 -6.990 -2.107 7.788 1.00 3.34 H new ATOM 0 HG3 LYS A 39 -7.377 -1.076 6.425 1.00 3.34 H new ATOM 0 HD2 LYS A 39 -8.533 0.518 8.067 1.00 53.42 H new ATOM 0 HD3 LYS A 39 -7.912 -0.470 9.375 1.00 53.42 H new ATOM 0 HE2 LYS A 39 -6.179 0.937 7.291 1.00 31.45 H new ATOM 0 HE3 LYS A 39 -6.502 1.556 8.898 1.00 31.45 H new ATOM 0 HZ1 LYS A 39 -4.449 0.488 9.025 1.00 42.02 H new ATOM 0 HZ2 LYS A 39 -5.535 -0.605 9.737 1.00 42.02 H new ATOM 0 HZ3 LYS A 39 -4.980 -0.870 8.155 1.00 42.02 H new ATOM 661 N ASP A 40 -11.606 -3.049 5.525 1.00 23.23 N ATOM 662 CA ASP A 40 -12.982 -3.580 5.362 1.00 63.34 C ATOM 663 C ASP A 40 -12.992 -4.886 4.523 1.00 20.24 C ATOM 664 O ASP A 40 -13.781 -5.802 4.779 1.00 44.33 O ATOM 665 CB ASP A 40 -13.893 -2.517 4.705 1.00 50.25 C ATOM 666 CG ASP A 40 -14.082 -1.270 5.584 1.00 33.23 C ATOM 667 OD1 ASP A 40 -14.903 -1.312 6.523 1.00 73.31 O ATOM 668 OD2 ASP A 40 -13.416 -0.246 5.344 1.00 32.42 O ATOM 0 H ASP A 40 -11.465 -2.133 5.099 1.00 23.23 H new ATOM 0 HA ASP A 40 -13.367 -3.816 6.354 1.00 63.34 H new ATOM 0 HB2 ASP A 40 -13.465 -2.220 3.748 1.00 50.25 H new ATOM 0 HB3 ASP A 40 -14.867 -2.959 4.495 1.00 50.25 H new ATOM 673 N GLU A 41 -12.106 -4.940 3.517 1.00 32.43 N ATOM 674 CA GLU A 41 -11.903 -6.127 2.652 1.00 63.41 C ATOM 675 C GLU A 41 -11.079 -7.231 3.369 1.00 2.43 C ATOM 676 O GLU A 41 -11.262 -8.422 3.102 1.00 12.12 O ATOM 677 CB GLU A 41 -11.222 -5.671 1.337 1.00 11.21 C ATOM 678 CG GLU A 41 -12.012 -4.592 0.562 1.00 3.51 C ATOM 679 CD GLU A 41 -13.353 -5.099 0.007 1.00 40.32 C ATOM 680 OE1 GLU A 41 -14.384 -5.008 0.712 1.00 33.41 O ATOM 681 OE2 GLU A 41 -13.384 -5.586 -1.143 1.00 2.40 O ATOM 0 H GLU A 41 -11.501 -4.156 3.273 1.00 32.43 H new ATOM 0 HA GLU A 41 -12.871 -6.573 2.424 1.00 63.41 H new ATOM 0 HB2 GLU A 41 -10.230 -5.284 1.569 1.00 11.21 H new ATOM 0 HB3 GLU A 41 -11.083 -6.539 0.692 1.00 11.21 H new ATOM 0 HG2 GLU A 41 -12.197 -3.744 1.221 1.00 3.51 H new ATOM 0 HG3 GLU A 41 -11.400 -4.227 -0.263 1.00 3.51 H new ATOM 688 N LEU A 42 -10.174 -6.810 4.283 1.00 10.22 N ATOM 689 CA LEU A 42 -9.437 -7.724 5.198 1.00 2.24 C ATOM 690 C LEU A 42 -10.411 -8.408 6.188 1.00 45.24 C ATOM 691 O LEU A 42 -10.153 -9.523 6.659 1.00 51.52 O ATOM 692 CB LEU A 42 -8.324 -6.959 5.983 1.00 4.51 C ATOM 693 CG LEU A 42 -7.122 -6.420 5.139 1.00 5.11 C ATOM 694 CD1 LEU A 42 -6.183 -5.527 5.987 1.00 3.31 C ATOM 695 CD2 LEU A 42 -6.328 -7.576 4.490 1.00 15.04 C ATOM 0 H LEU A 42 -9.931 -5.827 4.410 1.00 10.22 H new ATOM 0 HA LEU A 42 -8.960 -8.491 4.587 1.00 2.24 H new ATOM 0 HB2 LEU A 42 -8.786 -6.116 6.496 1.00 4.51 H new ATOM 0 HB3 LEU A 42 -7.930 -7.623 6.752 1.00 4.51 H new ATOM 0 HG LEU A 42 -7.542 -5.805 4.343 1.00 5.11 H new ATOM 0 HD11 LEU A 42 -5.360 -5.172 5.366 1.00 3.31 H new ATOM 0 HD12 LEU A 42 -6.742 -4.674 6.372 1.00 3.31 H new ATOM 0 HD13 LEU A 42 -5.785 -6.106 6.820 1.00 3.31 H new ATOM 0 HD21 LEU A 42 -5.500 -7.168 3.911 1.00 15.04 H new ATOM 0 HD22 LEU A 42 -5.938 -8.232 5.269 1.00 15.04 H new ATOM 0 HD23 LEU A 42 -6.985 -8.145 3.832 1.00 15.04 H new ATOM 707 N GLU A 43 -11.534 -7.725 6.480 1.00 44.33 N ATOM 708 CA GLU A 43 -12.628 -8.271 7.307 1.00 50.11 C ATOM 709 C GLU A 43 -13.521 -9.246 6.486 1.00 70.32 C ATOM 710 O GLU A 43 -13.618 -10.430 6.815 1.00 25.44 O ATOM 711 CB GLU A 43 -13.490 -7.108 7.882 1.00 62.13 C ATOM 712 CG GLU A 43 -14.668 -7.563 8.773 1.00 35.31 C ATOM 713 CD GLU A 43 -15.522 -6.399 9.293 1.00 45.12 C ATOM 714 OE1 GLU A 43 -15.216 -5.864 10.382 1.00 54.34 O ATOM 715 OE2 GLU A 43 -16.495 -6.000 8.611 1.00 32.41 O ATOM 0 H GLU A 43 -11.709 -6.776 6.148 1.00 44.33 H new ATOM 0 HA GLU A 43 -12.186 -8.832 8.130 1.00 50.11 H new ATOM 0 HB2 GLU A 43 -12.846 -6.448 8.463 1.00 62.13 H new ATOM 0 HB3 GLU A 43 -13.884 -6.520 7.053 1.00 62.13 H new ATOM 0 HG2 GLU A 43 -15.302 -8.244 8.205 1.00 35.31 H new ATOM 0 HG3 GLU A 43 -14.277 -8.125 9.621 1.00 35.31 H new ATOM 756 N ALA A 47 -9.033 -9.417 -0.407 1.00 64.41 N ATOM 757 CA ALA A 47 -8.175 -8.241 -0.169 1.00 64.22 C ATOM 758 C ALA A 47 -6.966 -8.224 -1.129 1.00 45.33 C ATOM 759 O ALA A 47 -6.244 -7.230 -1.173 1.00 3.03 O ATOM 760 CB ALA A 47 -7.715 -8.232 1.291 1.00 23.25 C ATOM 0 HA ALA A 47 -8.755 -7.339 -0.366 1.00 64.22 H new ATOM 0 HB1 ALA A 47 -7.081 -7.363 1.467 1.00 23.25 H new ATOM 0 HB2 ALA A 47 -8.585 -8.185 1.946 1.00 23.25 H new ATOM 0 HB3 ALA A 47 -7.151 -9.141 1.500 1.00 23.25 H new ATOM 766 N LYS A 48 -6.762 -9.318 -1.915 1.00 63.31 N ATOM 767 CA LYS A 48 -5.665 -9.396 -2.918 1.00 34.32 C ATOM 768 C LYS A 48 -5.822 -8.272 -3.961 1.00 21.53 C ATOM 769 O LYS A 48 -4.863 -7.572 -4.269 1.00 34.03 O ATOM 770 CB LYS A 48 -5.656 -10.771 -3.642 1.00 74.23 C ATOM 771 CG LYS A 48 -4.586 -10.906 -4.762 1.00 65.01 C ATOM 772 CD LYS A 48 -4.787 -12.151 -5.660 1.00 75.44 C ATOM 773 CE LYS A 48 -6.162 -12.172 -6.356 1.00 2.44 C ATOM 774 NZ LYS A 48 -6.396 -10.970 -7.197 1.00 15.14 N ATOM 0 H LYS A 48 -7.343 -10.156 -1.872 1.00 63.31 H new ATOM 0 HA LYS A 48 -4.721 -9.279 -2.387 1.00 34.32 H new ATOM 0 HB2 LYS A 48 -5.490 -11.555 -2.903 1.00 74.23 H new ATOM 0 HB3 LYS A 48 -6.641 -10.945 -4.076 1.00 74.23 H new ATOM 0 HG2 LYS A 48 -4.608 -10.011 -5.384 1.00 65.01 H new ATOM 0 HG3 LYS A 48 -3.597 -10.953 -4.305 1.00 65.01 H new ATOM 0 HD2 LYS A 48 -4.002 -12.178 -6.416 1.00 75.44 H new ATOM 0 HD3 LYS A 48 -4.678 -13.051 -5.055 1.00 75.44 H new ATOM 0 HE2 LYS A 48 -6.237 -13.065 -6.976 1.00 2.44 H new ATOM 0 HE3 LYS A 48 -6.946 -12.241 -5.602 1.00 2.44 H new ATOM 0 HZ1 LYS A 48 -7.327 -11.043 -7.655 1.00 15.14 H new ATOM 0 HZ2 LYS A 48 -6.369 -10.118 -6.601 1.00 15.14 H new ATOM 0 HZ3 LYS A 48 -5.656 -10.906 -7.925 1.00 15.14 H new ATOM 788 N ASN A 49 -7.067 -8.110 -4.464 1.00 20.43 N ATOM 789 CA ASN A 49 -7.449 -7.038 -5.419 1.00 2.42 C ATOM 790 C ASN A 49 -7.089 -5.629 -4.875 1.00 31.35 C ATOM 791 O ASN A 49 -6.657 -4.755 -5.625 1.00 75.14 O ATOM 792 CB ASN A 49 -8.969 -7.127 -5.716 1.00 42.20 C ATOM 793 CG ASN A 49 -9.472 -6.086 -6.733 1.00 0.11 C ATOM 794 OD1 ASN A 49 -8.755 -5.683 -7.645 1.00 20.42 O ATOM 795 ND2 ASN A 49 -10.701 -5.630 -6.579 1.00 2.35 N ATOM 0 H ASN A 49 -7.844 -8.724 -4.218 1.00 20.43 H new ATOM 0 HA ASN A 49 -6.885 -7.186 -6.340 1.00 2.42 H new ATOM 0 HB2 ASN A 49 -9.197 -8.125 -6.090 1.00 42.20 H new ATOM 0 HB3 ASN A 49 -9.519 -7.003 -4.783 1.00 42.20 H new ATOM 0 HD21 ASN A 49 -11.070 -4.931 -7.224 1.00 2.35 H new ATOM 0 HD22 ASN A 49 -11.282 -5.977 -5.815 1.00 2.35 H new ATOM 802 N MET A 50 -7.250 -5.454 -3.553 1.00 72.34 N ATOM 803 CA MET A 50 -6.966 -4.182 -2.855 1.00 22.21 C ATOM 804 C MET A 50 -5.458 -3.890 -2.777 1.00 72.24 C ATOM 805 O MET A 50 -5.054 -2.738 -2.847 1.00 11.40 O ATOM 806 CB MET A 50 -7.567 -4.228 -1.437 1.00 63.11 C ATOM 807 CG MET A 50 -9.081 -4.407 -1.426 1.00 72.21 C ATOM 808 SD MET A 50 -9.951 -3.051 -2.242 1.00 24.54 S ATOM 809 CE MET A 50 -9.452 -1.655 -1.229 1.00 55.30 C ATOM 0 H MET A 50 -7.582 -6.192 -2.933 1.00 72.34 H new ATOM 0 HA MET A 50 -7.424 -3.376 -3.429 1.00 22.21 H new ATOM 0 HB2 MET A 50 -7.108 -5.046 -0.882 1.00 63.11 H new ATOM 0 HB3 MET A 50 -7.314 -3.306 -0.913 1.00 63.11 H new ATOM 0 HG2 MET A 50 -9.335 -5.345 -1.920 1.00 72.21 H new ATOM 0 HG3 MET A 50 -9.426 -4.486 -0.395 1.00 72.21 H new ATOM 0 HE1 MET A 50 -10.032 -0.776 -1.509 1.00 55.30 H new ATOM 0 HE2 MET A 50 -9.628 -1.886 -0.179 1.00 55.30 H new ATOM 0 HE3 MET A 50 -8.392 -1.454 -1.383 1.00 55.30 H new ATOM 819 N ILE A 51 -4.649 -4.947 -2.613 1.00 33.31 N ATOM 820 CA ILE A 51 -3.171 -4.841 -2.562 1.00 61.00 C ATOM 821 C ILE A 51 -2.604 -4.577 -3.989 1.00 4.52 C ATOM 822 O ILE A 51 -1.670 -3.789 -4.164 1.00 21.13 O ATOM 823 CB ILE A 51 -2.548 -6.146 -1.929 1.00 12.44 C ATOM 824 CG1 ILE A 51 -3.219 -6.451 -0.544 1.00 70.43 C ATOM 825 CG2 ILE A 51 -1.008 -6.034 -1.767 1.00 11.22 C ATOM 826 CD1 ILE A 51 -2.897 -7.821 0.024 1.00 45.23 C ATOM 0 H ILE A 51 -4.994 -5.902 -2.511 1.00 33.31 H new ATOM 0 HA ILE A 51 -2.896 -3.999 -1.927 1.00 61.00 H new ATOM 0 HB ILE A 51 -2.746 -6.970 -2.615 1.00 12.44 H new ATOM 0 HG12 ILE A 51 -2.905 -5.692 0.172 1.00 70.43 H new ATOM 0 HG13 ILE A 51 -4.300 -6.361 -0.651 1.00 70.43 H new ATOM 0 HG21 ILE A 51 -0.621 -6.953 -1.328 1.00 11.22 H new ATOM 0 HG22 ILE A 51 -0.550 -5.877 -2.744 1.00 11.22 H new ATOM 0 HG23 ILE A 51 -0.771 -5.193 -1.116 1.00 11.22 H new ATOM 0 HD11 ILE A 51 -3.402 -7.946 0.982 1.00 45.23 H new ATOM 0 HD12 ILE A 51 -3.237 -8.591 -0.669 1.00 45.23 H new ATOM 0 HD13 ILE A 51 -1.820 -7.912 0.167 1.00 45.23 H new ATOM 838 N GLU A 52 -3.216 -5.232 -5.005 1.00 70.33 N ATOM 839 CA GLU A 52 -2.925 -4.993 -6.442 1.00 31.34 C ATOM 840 C GLU A 52 -3.232 -3.521 -6.813 1.00 61.13 C ATOM 841 O GLU A 52 -2.442 -2.852 -7.490 1.00 44.33 O ATOM 842 CB GLU A 52 -3.756 -5.967 -7.348 1.00 64.34 C ATOM 843 CG GLU A 52 -3.465 -7.488 -7.151 1.00 5.54 C ATOM 844 CD GLU A 52 -4.350 -8.423 -8.005 1.00 75.14 C ATOM 845 OE1 GLU A 52 -5.586 -8.368 -7.854 1.00 52.14 O ATOM 846 OE2 GLU A 52 -3.821 -9.256 -8.789 1.00 72.13 O ATOM 0 H GLU A 52 -3.929 -5.945 -4.851 1.00 70.33 H new ATOM 0 HA GLU A 52 -1.866 -5.186 -6.614 1.00 31.34 H new ATOM 0 HB2 GLU A 52 -4.816 -5.791 -7.162 1.00 64.34 H new ATOM 0 HB3 GLU A 52 -3.569 -5.712 -8.391 1.00 64.34 H new ATOM 0 HG2 GLU A 52 -2.419 -7.679 -7.390 1.00 5.54 H new ATOM 0 HG3 GLU A 52 -3.602 -7.738 -6.099 1.00 5.54 H new ATOM 853 N LYS A 53 -4.391 -3.031 -6.329 1.00 64.15 N ATOM 854 CA LYS A 53 -4.851 -1.635 -6.549 1.00 65.23 C ATOM 855 C LYS A 53 -4.149 -0.608 -5.637 1.00 63.13 C ATOM 856 O LYS A 53 -4.146 0.589 -5.943 1.00 35.15 O ATOM 857 CB LYS A 53 -6.405 -1.530 -6.447 1.00 35.13 C ATOM 858 CG LYS A 53 -7.148 -2.046 -7.708 1.00 41.20 C ATOM 859 CD LYS A 53 -6.768 -1.231 -8.974 1.00 55.13 C ATOM 860 CE LYS A 53 -7.377 -1.787 -10.268 1.00 4.34 C ATOM 861 NZ LYS A 53 -6.964 -0.982 -11.452 1.00 11.12 N ATOM 0 H LYS A 53 -5.039 -3.589 -5.773 1.00 64.15 H new ATOM 0 HA LYS A 53 -4.559 -1.374 -7.566 1.00 65.23 H new ATOM 0 HB2 LYS A 53 -6.743 -2.097 -5.579 1.00 35.13 H new ATOM 0 HB3 LYS A 53 -6.680 -0.489 -6.274 1.00 35.13 H new ATOM 0 HG2 LYS A 53 -6.908 -3.097 -7.867 1.00 41.20 H new ATOM 0 HG3 LYS A 53 -8.224 -1.986 -7.546 1.00 41.20 H new ATOM 0 HD2 LYS A 53 -7.094 -0.199 -8.843 1.00 55.13 H new ATOM 0 HD3 LYS A 53 -5.683 -1.213 -9.072 1.00 55.13 H new ATOM 0 HE2 LYS A 53 -7.065 -2.823 -10.403 1.00 4.34 H new ATOM 0 HE3 LYS A 53 -8.464 -1.789 -10.189 1.00 4.34 H new ATOM 0 HZ1 LYS A 53 -7.093 -1.545 -12.317 1.00 11.12 H new ATOM 0 HZ2 LYS A 53 -7.548 -0.123 -11.508 1.00 11.12 H new ATOM 0 HZ3 LYS A 53 -5.963 -0.715 -11.358 1.00 11.12 H new ATOM 875 N PHE A 54 -3.580 -1.069 -4.514 1.00 10.42 N ATOM 876 CA PHE A 54 -2.773 -0.204 -3.631 1.00 11.43 C ATOM 877 C PHE A 54 -1.396 0.092 -4.274 1.00 65.40 C ATOM 878 O PHE A 54 -0.853 1.188 -4.116 1.00 54.13 O ATOM 879 CB PHE A 54 -2.604 -0.830 -2.222 1.00 60.02 C ATOM 880 CG PHE A 54 -1.947 0.130 -1.232 1.00 44.31 C ATOM 881 CD1 PHE A 54 -2.675 1.184 -0.677 1.00 33.45 C ATOM 882 CD2 PHE A 54 -0.597 0.029 -0.919 1.00 62.23 C ATOM 883 CE1 PHE A 54 -2.075 2.091 0.171 1.00 24.24 C ATOM 884 CE2 PHE A 54 0.008 0.937 -0.085 1.00 54.13 C ATOM 885 CZ PHE A 54 -0.727 1.973 0.464 1.00 0.01 C ATOM 0 H PHE A 54 -3.661 -2.034 -4.193 1.00 10.42 H new ATOM 0 HA PHE A 54 -3.306 0.739 -3.507 1.00 11.43 H new ATOM 0 HB2 PHE A 54 -3.581 -1.128 -1.841 1.00 60.02 H new ATOM 0 HB3 PHE A 54 -2.002 -1.735 -2.300 1.00 60.02 H new ATOM 0 HD1 PHE A 54 -3.723 1.291 -0.915 1.00 33.45 H new ATOM 0 HD2 PHE A 54 -0.014 -0.777 -1.339 1.00 62.23 H new ATOM 0 HE1 PHE A 54 -2.655 2.892 0.606 1.00 24.24 H new ATOM 0 HE2 PHE A 54 1.059 0.842 0.143 1.00 54.13 H new ATOM 0 HZ PHE A 54 -0.251 2.687 1.119 1.00 0.01 H new ATOM 895 N ARG A 55 -0.838 -0.906 -4.996 1.00 14.00 N ATOM 896 CA ARG A 55 0.383 -0.716 -5.814 1.00 44.43 C ATOM 897 C ARG A 55 0.073 0.210 -7.007 1.00 3.33 C ATOM 898 O ARG A 55 0.869 1.084 -7.341 1.00 32.54 O ATOM 899 CB ARG A 55 0.934 -2.097 -6.303 1.00 55.22 C ATOM 900 CG ARG A 55 2.282 -2.064 -7.096 1.00 2.45 C ATOM 901 CD ARG A 55 2.109 -1.873 -8.627 1.00 73.11 C ATOM 902 NE ARG A 55 3.392 -1.683 -9.328 1.00 33.51 N ATOM 903 CZ ARG A 55 4.216 -2.643 -9.700 1.00 11.04 C ATOM 904 NH1 ARG A 55 3.956 -3.890 -9.463 1.00 70.21 N ATOM 905 NH2 ARG A 55 5.298 -2.339 -10.337 1.00 53.14 N ATOM 0 H ARG A 55 -1.214 -1.853 -5.029 1.00 14.00 H new ATOM 0 HA ARG A 55 1.154 -0.247 -5.202 1.00 44.43 H new ATOM 0 HB2 ARG A 55 1.065 -2.741 -5.433 1.00 55.22 H new ATOM 0 HB3 ARG A 55 0.177 -2.563 -6.934 1.00 55.22 H new ATOM 0 HG2 ARG A 55 2.901 -1.256 -6.707 1.00 2.45 H new ATOM 0 HG3 ARG A 55 2.821 -2.994 -6.915 1.00 2.45 H new ATOM 0 HD2 ARG A 55 1.599 -2.743 -9.042 1.00 73.11 H new ATOM 0 HD3 ARG A 55 1.469 -1.010 -8.811 1.00 73.11 H new ATOM 0 HE ARG A 55 3.666 -0.725 -9.544 1.00 33.51 H new ATOM 0 HH11 ARG A 55 3.097 -4.149 -8.978 1.00 70.21 H new ATOM 0 HH12 ARG A 55 4.611 -4.613 -9.762 1.00 70.21 H new ATOM 0 HH21 ARG A 55 5.509 -1.364 -10.548 1.00 53.14 H new ATOM 0 HH22 ARG A 55 5.942 -3.074 -10.629 1.00 53.14 H new ATOM 919 N ASP A 56 -1.095 -0.024 -7.646 1.00 25.15 N ATOM 920 CA ASP A 56 -1.625 0.802 -8.766 1.00 60.03 C ATOM 921 C ASP A 56 -1.692 2.303 -8.349 1.00 54.12 C ATOM 922 O ASP A 56 -1.272 3.195 -9.094 1.00 43.35 O ATOM 923 CB ASP A 56 -3.039 0.255 -9.141 1.00 53.41 C ATOM 924 CG ASP A 56 -3.611 0.756 -10.484 1.00 4.45 C ATOM 925 OD1 ASP A 56 -3.812 1.979 -10.650 1.00 23.34 O ATOM 926 OD2 ASP A 56 -3.891 -0.079 -11.375 1.00 23.02 O ATOM 0 H ASP A 56 -1.708 -0.801 -7.399 1.00 25.15 H new ATOM 0 HA ASP A 56 -0.967 0.738 -9.632 1.00 60.03 H new ATOM 0 HB2 ASP A 56 -2.992 -0.834 -9.170 1.00 53.41 H new ATOM 0 HB3 ASP A 56 -3.736 0.523 -8.347 1.00 53.41 H new ATOM 931 N GLU A 57 -2.204 2.530 -7.126 1.00 21.32 N ATOM 932 CA GLU A 57 -2.319 3.865 -6.508 1.00 4.34 C ATOM 933 C GLU A 57 -0.919 4.469 -6.203 1.00 2.03 C ATOM 934 O GLU A 57 -0.607 5.599 -6.609 1.00 13.42 O ATOM 935 CB GLU A 57 -3.141 3.730 -5.190 1.00 33.23 C ATOM 936 CG GLU A 57 -3.466 5.054 -4.462 1.00 43.24 C ATOM 937 CD GLU A 57 -4.585 5.876 -5.126 1.00 23.02 C ATOM 938 OE1 GLU A 57 -4.301 6.688 -6.033 1.00 74.21 O ATOM 939 OE2 GLU A 57 -5.760 5.712 -4.740 1.00 44.51 O ATOM 0 H GLU A 57 -2.555 1.781 -6.530 1.00 21.32 H new ATOM 0 HA GLU A 57 -2.822 4.538 -7.203 1.00 4.34 H new ATOM 0 HB2 GLU A 57 -4.079 3.223 -5.419 1.00 33.23 H new ATOM 0 HB3 GLU A 57 -2.590 3.086 -4.505 1.00 33.23 H new ATOM 0 HG2 GLU A 57 -3.754 4.830 -3.435 1.00 43.24 H new ATOM 0 HG3 GLU A 57 -2.562 5.662 -4.414 1.00 43.24 H new ATOM 946 N MET A 58 -0.074 3.677 -5.500 1.00 23.22 N ATOM 947 CA MET A 58 1.270 4.111 -5.049 1.00 53.32 C ATOM 948 C MET A 58 2.254 4.378 -6.197 1.00 74.14 C ATOM 949 O MET A 58 3.133 5.208 -6.033 1.00 50.14 O ATOM 950 CB MET A 58 1.912 3.092 -4.060 1.00 21.30 C ATOM 951 CG MET A 58 1.498 3.255 -2.590 1.00 52.14 C ATOM 952 SD MET A 58 2.750 2.596 -1.465 1.00 61.34 S ATOM 953 CE MET A 58 4.182 3.602 -1.886 1.00 40.41 C ATOM 0 H MET A 58 -0.305 2.721 -5.230 1.00 23.22 H new ATOM 0 HA MET A 58 1.091 5.057 -4.538 1.00 53.32 H new ATOM 0 HB2 MET A 58 1.653 2.084 -4.384 1.00 21.30 H new ATOM 0 HB3 MET A 58 2.996 3.180 -4.127 1.00 21.30 H new ATOM 0 HG2 MET A 58 1.334 4.311 -2.373 1.00 52.14 H new ATOM 0 HG3 MET A 58 0.551 2.743 -2.420 1.00 52.14 H new ATOM 0 HE1 MET A 58 4.929 2.982 -2.383 1.00 40.41 H new ATOM 0 HE2 MET A 58 3.877 4.408 -2.554 1.00 40.41 H new ATOM 0 HE3 MET A 58 4.609 4.026 -0.977 1.00 40.41 H new ATOM 963 N GLU A 59 2.124 3.660 -7.325 1.00 11.03 N ATOM 964 CA GLU A 59 3.063 3.805 -8.463 1.00 14.44 C ATOM 965 C GLU A 59 2.939 5.210 -9.102 1.00 14.44 C ATOM 966 O GLU A 59 3.940 5.806 -9.507 1.00 21.42 O ATOM 967 CB GLU A 59 2.837 2.679 -9.506 1.00 65.50 C ATOM 968 CG GLU A 59 3.889 2.632 -10.641 1.00 41.51 C ATOM 969 CD GLU A 59 3.726 1.412 -11.565 1.00 5.34 C ATOM 970 OE1 GLU A 59 2.940 1.487 -12.536 1.00 23.40 O ATOM 971 OE2 GLU A 59 4.371 0.369 -11.314 1.00 22.22 O ATOM 0 H GLU A 59 1.384 2.975 -7.478 1.00 11.03 H new ATOM 0 HA GLU A 59 4.081 3.706 -8.087 1.00 14.44 H new ATOM 0 HB2 GLU A 59 2.835 1.719 -8.990 1.00 65.50 H new ATOM 0 HB3 GLU A 59 1.849 2.805 -9.949 1.00 65.50 H new ATOM 0 HG2 GLU A 59 3.815 3.543 -11.235 1.00 41.51 H new ATOM 0 HG3 GLU A 59 4.887 2.618 -10.203 1.00 41.51 H new ATOM 978 N GLN A 60 1.695 5.735 -9.147 1.00 1.40 N ATOM 979 CA GLN A 60 1.419 7.128 -9.568 1.00 11.41 C ATOM 980 C GLN A 60 1.958 8.146 -8.530 1.00 71.30 C ATOM 981 O GLN A 60 2.712 9.051 -8.884 1.00 24.44 O ATOM 982 CB GLN A 60 -0.111 7.338 -9.795 1.00 2.45 C ATOM 983 CG GLN A 60 -0.547 8.814 -10.023 1.00 71.13 C ATOM 984 CD GLN A 60 0.169 9.516 -11.190 1.00 71.42 C ATOM 985 OE1 GLN A 60 0.497 8.913 -12.208 1.00 55.42 O ATOM 986 NE2 GLN A 60 0.471 10.785 -11.026 1.00 24.44 N ATOM 0 H GLN A 60 0.858 5.210 -8.894 1.00 1.40 H new ATOM 0 HA GLN A 60 1.939 7.302 -10.510 1.00 11.41 H new ATOM 0 HB2 GLN A 60 -0.419 6.747 -10.657 1.00 2.45 H new ATOM 0 HB3 GLN A 60 -0.648 6.946 -8.931 1.00 2.45 H new ATOM 0 HG2 GLN A 60 -1.621 8.839 -10.205 1.00 71.13 H new ATOM 0 HG3 GLN A 60 -0.365 9.379 -9.109 1.00 71.13 H new ATOM 0 HE21 GLN A 60 0.190 11.270 -10.174 1.00 24.44 H new ATOM 0 HE22 GLN A 60 0.986 11.285 -11.751 1.00 24.44 H new ATOM 995 N MET A 61 1.587 7.964 -7.250 1.00 1.35 N ATOM 996 CA MET A 61 1.938 8.917 -6.163 1.00 25.10 C ATOM 997 C MET A 61 3.456 8.927 -5.859 1.00 71.40 C ATOM 998 O MET A 61 3.972 9.872 -5.258 1.00 23.21 O ATOM 999 CB MET A 61 1.134 8.592 -4.890 1.00 41.42 C ATOM 1000 CG MET A 61 -0.392 8.649 -5.066 1.00 24.15 C ATOM 1001 SD MET A 61 -1.270 8.261 -3.540 1.00 71.12 S ATOM 1002 CE MET A 61 -0.586 6.650 -3.159 1.00 43.20 C ATOM 0 H MET A 61 1.041 7.163 -6.934 1.00 1.35 H new ATOM 0 HA MET A 61 1.675 9.917 -6.509 1.00 25.10 H new ATOM 0 HB2 MET A 61 1.410 7.595 -4.546 1.00 41.42 H new ATOM 0 HB3 MET A 61 1.423 9.291 -4.105 1.00 41.42 H new ATOM 0 HG2 MET A 61 -0.680 9.644 -5.405 1.00 24.15 H new ATOM 0 HG3 MET A 61 -0.692 7.947 -5.844 1.00 24.15 H new ATOM 0 HE1 MET A 61 -1.300 6.083 -2.562 1.00 43.20 H new ATOM 0 HE2 MET A 61 -0.381 6.113 -4.085 1.00 43.20 H new ATOM 0 HE3 MET A 61 0.340 6.772 -2.597 1.00 43.20 H new ATOM 1012 N TYR A 62 4.138 7.838 -6.249 1.00 4.24 N ATOM 1013 CA TYR A 62 5.608 7.728 -6.222 1.00 54.30 C ATOM 1014 C TYR A 62 6.252 8.680 -7.260 1.00 42.04 C ATOM 1015 O TYR A 62 7.303 9.268 -7.013 1.00 51.43 O ATOM 1016 CB TYR A 62 6.033 6.247 -6.481 1.00 70.02 C ATOM 1017 CG TYR A 62 7.521 6.073 -6.784 1.00 1.12 C ATOM 1018 CD1 TYR A 62 8.487 6.329 -5.811 1.00 0.43 C ATOM 1019 CD2 TYR A 62 7.964 5.706 -8.059 1.00 42.32 C ATOM 1020 CE1 TYR A 62 9.822 6.242 -6.100 1.00 12.31 C ATOM 1021 CE2 TYR A 62 9.303 5.602 -8.341 1.00 34.45 C ATOM 1022 CZ TYR A 62 10.224 5.877 -7.363 1.00 54.42 C ATOM 1023 OH TYR A 62 11.563 5.814 -7.657 1.00 25.15 O ATOM 0 H TYR A 62 3.678 6.997 -6.597 1.00 4.24 H new ATOM 0 HA TYR A 62 5.965 8.026 -5.236 1.00 54.30 H new ATOM 0 HB2 TYR A 62 5.778 5.648 -5.607 1.00 70.02 H new ATOM 0 HB3 TYR A 62 5.454 5.854 -7.317 1.00 70.02 H new ATOM 0 HD1 TYR A 62 8.176 6.600 -4.813 1.00 0.43 H new ATOM 0 HD2 TYR A 62 7.240 5.501 -8.834 1.00 42.32 H new ATOM 0 HE1 TYR A 62 10.557 6.459 -5.339 1.00 12.31 H new ATOM 0 HE2 TYR A 62 9.629 5.305 -9.327 1.00 34.45 H new ATOM 0 HH TYR A 62 11.983 5.110 -7.120 1.00 25.15 H new ATOM 1033 N LYS A 63 5.612 8.797 -8.426 1.00 74.03 N ATOM 1034 CA LYS A 63 6.040 9.745 -9.489 1.00 25.24 C ATOM 1035 C LYS A 63 5.846 11.215 -9.035 1.00 54.34 C ATOM 1036 O LYS A 63 6.590 12.105 -9.454 1.00 65.11 O ATOM 1037 CB LYS A 63 5.252 9.465 -10.794 1.00 74.25 C ATOM 1038 CG LYS A 63 5.436 8.032 -11.342 1.00 62.10 C ATOM 1039 CD LYS A 63 4.502 7.719 -12.533 1.00 51.10 C ATOM 1040 CE LYS A 63 4.678 6.279 -13.052 1.00 74.41 C ATOM 1041 NZ LYS A 63 3.764 5.971 -14.187 1.00 1.12 N ATOM 0 H LYS A 63 4.788 8.248 -8.671 1.00 74.03 H new ATOM 0 HA LYS A 63 7.103 9.595 -9.680 1.00 25.24 H new ATOM 0 HB2 LYS A 63 4.192 9.640 -10.611 1.00 74.25 H new ATOM 0 HB3 LYS A 63 5.566 10.178 -11.556 1.00 74.25 H new ATOM 0 HG2 LYS A 63 6.472 7.898 -11.654 1.00 62.10 H new ATOM 0 HG3 LYS A 63 5.249 7.316 -10.542 1.00 62.10 H new ATOM 0 HD2 LYS A 63 3.466 7.869 -12.229 1.00 51.10 H new ATOM 0 HD3 LYS A 63 4.701 8.421 -13.342 1.00 51.10 H new ATOM 0 HE2 LYS A 63 5.710 6.134 -13.370 1.00 74.41 H new ATOM 0 HE3 LYS A 63 4.493 5.577 -12.239 1.00 74.41 H new ATOM 0 HZ1 LYS A 63 3.919 4.992 -14.502 1.00 1.12 H new ATOM 0 HZ2 LYS A 63 2.777 6.083 -13.878 1.00 1.12 H new ATOM 0 HZ3 LYS A 63 3.957 6.622 -14.974 1.00 1.12 H new ATOM 1055 N ASP A 64 4.831 11.445 -8.181 1.00 43.11 N ATOM 1056 CA ASP A 64 4.591 12.756 -7.536 1.00 23.33 C ATOM 1057 C ASP A 64 5.599 13.022 -6.382 1.00 72.42 C ATOM 1058 O ASP A 64 6.058 14.153 -6.198 1.00 24.45 O ATOM 1059 CB ASP A 64 3.137 12.832 -7.006 1.00 30.35 C ATOM 1060 CG ASP A 64 2.096 12.746 -8.130 1.00 41.53 C ATOM 1061 OD1 ASP A 64 1.860 13.767 -8.808 1.00 24.45 O ATOM 1062 OD2 ASP A 64 1.510 11.670 -8.342 1.00 20.50 O ATOM 0 H ASP A 64 4.153 10.730 -7.917 1.00 43.11 H new ATOM 0 HA ASP A 64 4.740 13.529 -8.290 1.00 23.33 H new ATOM 0 HB2 ASP A 64 2.969 12.021 -6.297 1.00 30.35 H new ATOM 0 HB3 ASP A 64 3.001 13.766 -6.460 1.00 30.35 H new ATOM 1067 N ALA A 65 5.953 11.961 -5.625 1.00 52.31 N ATOM 1068 CA ALA A 65 6.862 12.054 -4.454 1.00 14.15 C ATOM 1069 C ALA A 65 7.951 10.938 -4.482 1.00 50.52 C ATOM 1070 O ALA A 65 7.819 9.908 -3.805 1.00 11.15 O ATOM 1071 CB ALA A 65 6.041 12.007 -3.150 1.00 65.04 C ATOM 0 H ALA A 65 5.619 11.014 -5.806 1.00 52.31 H new ATOM 0 HA ALA A 65 7.388 13.007 -4.501 1.00 14.15 H new ATOM 0 HB1 ALA A 65 6.713 12.076 -2.294 1.00 65.04 H new ATOM 0 HB2 ALA A 65 5.342 12.843 -3.130 1.00 65.04 H new ATOM 0 HB3 ALA A 65 5.487 11.069 -3.102 1.00 65.04 H new ATOM 1077 N PRO A 66 9.047 11.102 -5.302 1.00 12.32 N ATOM 1078 CA PRO A 66 10.174 10.145 -5.363 1.00 62.11 C ATOM 1079 C PRO A 66 11.195 10.418 -4.227 1.00 42.03 C ATOM 1080 O PRO A 66 12.343 10.805 -4.468 1.00 64.31 O ATOM 1081 CB PRO A 66 10.771 10.388 -6.794 1.00 74.44 C ATOM 1082 CG PRO A 66 9.960 11.518 -7.396 1.00 32.51 C ATOM 1083 CD PRO A 66 9.278 12.216 -6.243 1.00 64.24 C ATOM 0 HA PRO A 66 9.880 9.106 -5.216 1.00 62.11 H new ATOM 0 HB2 PRO A 66 11.827 10.652 -6.737 1.00 74.44 H new ATOM 0 HB3 PRO A 66 10.700 9.488 -7.405 1.00 74.44 H new ATOM 0 HG2 PRO A 66 10.602 12.208 -7.943 1.00 32.51 H new ATOM 0 HG3 PRO A 66 9.227 11.135 -8.106 1.00 32.51 H new ATOM 0 HD2 PRO A 66 9.906 12.994 -5.808 1.00 64.24 H new ATOM 0 HD3 PRO A 66 8.346 12.692 -6.548 1.00 64.24 H new ATOM 1091 N ASN A 67 10.751 10.191 -2.981 1.00 11.43 N ATOM 1092 CA ASN A 67 11.510 10.551 -1.758 1.00 65.14 C ATOM 1093 C ASN A 67 12.320 9.355 -1.173 1.00 5.04 C ATOM 1094 O ASN A 67 12.735 9.410 -0.013 1.00 75.54 O ATOM 1095 CB ASN A 67 10.519 11.139 -0.704 1.00 22.52 C ATOM 1096 CG ASN A 67 9.308 10.236 -0.388 1.00 3.10 C ATOM 1097 OD1 ASN A 67 9.397 9.018 -0.386 1.00 21.40 O ATOM 1098 ND2 ASN A 67 8.164 10.832 -0.137 1.00 41.50 N ATOM 0 H ASN A 67 9.852 9.751 -2.785 1.00 11.43 H new ATOM 0 HA ASN A 67 12.253 11.302 -2.026 1.00 65.14 H new ATOM 0 HB2 ASN A 67 11.064 11.331 0.220 1.00 22.52 H new ATOM 0 HB3 ASN A 67 10.154 12.101 -1.064 1.00 22.52 H new ATOM 0 HD21 ASN A 67 7.333 10.276 0.064 1.00 41.50 H new ATOM 0 HD22 ASN A 67 8.107 11.850 -0.143 1.00 41.50 H new ATOM 1105 N ALA A 68 12.539 8.296 -2.003 1.00 34.42 N ATOM 1106 CA ALA A 68 13.263 7.030 -1.633 1.00 65.24 C ATOM 1107 C ALA A 68 12.418 6.078 -0.730 1.00 53.01 C ATOM 1108 O ALA A 68 12.361 4.865 -0.980 1.00 34.44 O ATOM 1109 CB ALA A 68 14.649 7.314 -1.014 1.00 74.41 C ATOM 0 H ALA A 68 12.213 8.292 -2.970 1.00 34.42 H new ATOM 0 HA ALA A 68 13.423 6.499 -2.571 1.00 65.24 H new ATOM 0 HB1 ALA A 68 15.135 6.371 -0.762 1.00 74.41 H new ATOM 0 HB2 ALA A 68 15.263 7.859 -1.731 1.00 74.41 H new ATOM 0 HB3 ALA A 68 14.528 7.912 -0.111 1.00 74.41 H new ATOM 1115 N VAL A 69 11.774 6.642 0.324 1.00 31.51 N ATOM 1116 CA VAL A 69 10.834 5.911 1.221 1.00 23.34 C ATOM 1117 C VAL A 69 9.687 5.266 0.407 1.00 1.10 C ATOM 1118 O VAL A 69 9.369 4.086 0.566 1.00 15.41 O ATOM 1119 CB VAL A 69 10.208 6.878 2.307 1.00 73.20 C ATOM 1120 CG1 VAL A 69 9.279 6.115 3.284 1.00 42.40 C ATOM 1121 CG2 VAL A 69 11.308 7.649 3.080 1.00 33.53 C ATOM 0 H VAL A 69 11.891 7.623 0.579 1.00 31.51 H new ATOM 0 HA VAL A 69 11.409 5.133 1.723 1.00 23.34 H new ATOM 0 HB VAL A 69 9.599 7.608 1.773 1.00 73.20 H new ATOM 0 HG11 VAL A 69 8.868 6.812 4.015 1.00 42.40 H new ATOM 0 HG12 VAL A 69 8.465 5.653 2.726 1.00 42.40 H new ATOM 0 HG13 VAL A 69 9.849 5.343 3.800 1.00 42.40 H new ATOM 0 HG21 VAL A 69 10.844 8.304 3.817 1.00 33.53 H new ATOM 0 HG22 VAL A 69 11.963 6.939 3.586 1.00 33.53 H new ATOM 0 HG23 VAL A 69 11.893 8.247 2.381 1.00 33.53 H new ATOM 1131 N MET A 70 9.114 6.070 -0.496 1.00 44.34 N ATOM 1132 CA MET A 70 7.976 5.675 -1.350 1.00 44.41 C ATOM 1133 C MET A 70 8.335 4.466 -2.260 1.00 60.53 C ATOM 1134 O MET A 70 7.479 3.633 -2.551 1.00 73.44 O ATOM 1135 CB MET A 70 7.523 6.897 -2.202 1.00 42.32 C ATOM 1136 CG MET A 70 6.071 6.836 -2.694 1.00 2.02 C ATOM 1137 SD MET A 70 4.884 6.992 -1.336 1.00 4.25 S ATOM 1138 CE MET A 70 3.340 7.187 -2.222 1.00 40.05 C ATOM 0 H MET A 70 9.428 7.027 -0.660 1.00 44.34 H new ATOM 0 HA MET A 70 7.154 5.357 -0.709 1.00 44.41 H new ATOM 0 HB2 MET A 70 7.653 7.803 -1.610 1.00 42.32 H new ATOM 0 HB3 MET A 70 8.181 6.983 -3.066 1.00 42.32 H new ATOM 0 HG2 MET A 70 5.900 7.633 -3.417 1.00 2.02 H new ATOM 0 HG3 MET A 70 5.904 5.893 -3.214 1.00 2.02 H new ATOM 0 HE1 MET A 70 2.510 6.907 -1.573 1.00 40.05 H new ATOM 0 HE2 MET A 70 3.226 8.226 -2.529 1.00 40.05 H new ATOM 0 HE3 MET A 70 3.343 6.546 -3.104 1.00 40.05 H new ATOM 1148 N GLU A 71 9.621 4.382 -2.683 1.00 21.14 N ATOM 1149 CA GLU A 71 10.141 3.253 -3.500 1.00 15.03 C ATOM 1150 C GLU A 71 10.297 1.964 -2.648 1.00 51.25 C ATOM 1151 O GLU A 71 10.017 0.858 -3.128 1.00 2.34 O ATOM 1152 CB GLU A 71 11.503 3.638 -4.144 1.00 12.33 C ATOM 1153 CG GLU A 71 12.028 2.624 -5.191 1.00 43.52 C ATOM 1154 CD GLU A 71 13.413 2.987 -5.764 1.00 63.44 C ATOM 1155 OE1 GLU A 71 13.522 4.016 -6.465 1.00 32.34 O ATOM 1156 OE2 GLU A 71 14.394 2.248 -5.521 1.00 72.33 O ATOM 0 H GLU A 71 10.324 5.089 -2.470 1.00 21.14 H new ATOM 0 HA GLU A 71 9.417 3.049 -4.289 1.00 15.03 H new ATOM 0 HB2 GLU A 71 11.403 4.613 -4.620 1.00 12.33 H new ATOM 0 HB3 GLU A 71 12.247 3.744 -3.354 1.00 12.33 H new ATOM 0 HG2 GLU A 71 12.082 1.637 -4.733 1.00 43.52 H new ATOM 0 HG3 GLU A 71 11.312 2.557 -6.010 1.00 43.52 H new ATOM 1163 N GLN A 72 10.754 2.139 -1.383 1.00 64.23 N ATOM 1164 CA GLN A 72 10.934 1.037 -0.399 1.00 22.40 C ATOM 1165 C GLN A 72 9.624 0.237 -0.228 1.00 13.54 C ATOM 1166 O GLN A 72 9.602 -0.994 -0.363 1.00 74.31 O ATOM 1167 CB GLN A 72 11.426 1.642 0.964 1.00 31.20 C ATOM 1168 CG GLN A 72 11.789 0.637 2.101 1.00 22.42 C ATOM 1169 CD GLN A 72 10.593 0.186 2.972 1.00 31.11 C ATOM 1170 OE1 GLN A 72 9.945 -0.824 2.707 1.00 35.14 O ATOM 1171 NE2 GLN A 72 10.302 0.921 4.029 1.00 53.43 N ATOM 0 H GLN A 72 11.010 3.054 -1.013 1.00 64.23 H new ATOM 0 HA GLN A 72 11.687 0.339 -0.764 1.00 22.40 H new ATOM 0 HB2 GLN A 72 12.304 2.257 0.764 1.00 31.20 H new ATOM 0 HB3 GLN A 72 10.649 2.309 1.338 1.00 31.20 H new ATOM 0 HG2 GLN A 72 12.249 -0.245 1.655 1.00 22.42 H new ATOM 0 HG3 GLN A 72 12.539 1.095 2.746 1.00 22.42 H new ATOM 0 HE21 GLN A 72 10.849 1.757 4.236 1.00 53.43 H new ATOM 0 HE22 GLN A 72 9.530 0.653 4.639 1.00 53.43 H new ATOM 1180 N LEU A 73 8.532 0.969 0.048 1.00 44.01 N ATOM 1181 CA LEU A 73 7.196 0.374 0.232 1.00 50.24 C ATOM 1182 C LEU A 73 6.584 -0.107 -1.101 1.00 5.33 C ATOM 1183 O LEU A 73 5.928 -1.148 -1.121 1.00 55.34 O ATOM 1184 CB LEU A 73 6.230 1.360 0.946 1.00 30.31 C ATOM 1185 CG LEU A 73 6.500 1.636 2.467 1.00 60.22 C ATOM 1186 CD1 LEU A 73 6.652 0.323 3.264 1.00 60.13 C ATOM 1187 CD2 LEU A 73 7.699 2.581 2.685 1.00 64.20 C ATOM 0 H LEU A 73 8.549 1.984 0.150 1.00 44.01 H new ATOM 0 HA LEU A 73 7.330 -0.500 0.869 1.00 50.24 H new ATOM 0 HB2 LEU A 73 6.264 2.312 0.416 1.00 30.31 H new ATOM 0 HB3 LEU A 73 5.215 0.975 0.845 1.00 30.31 H new ATOM 0 HG LEU A 73 5.622 2.152 2.856 1.00 60.22 H new ATOM 0 HD11 LEU A 73 6.838 0.554 4.313 1.00 60.13 H new ATOM 0 HD12 LEU A 73 5.737 -0.263 3.178 1.00 60.13 H new ATOM 0 HD13 LEU A 73 7.489 -0.250 2.865 1.00 60.13 H new ATOM 0 HD21 LEU A 73 7.846 2.742 3.753 1.00 64.20 H new ATOM 0 HD22 LEU A 73 8.597 2.134 2.258 1.00 64.20 H new ATOM 0 HD23 LEU A 73 7.503 3.536 2.198 1.00 64.20 H new ATOM 1199 N LEU A 74 6.812 0.649 -2.207 1.00 11.02 N ATOM 1200 CA LEU A 74 6.278 0.305 -3.559 1.00 52.14 C ATOM 1201 C LEU A 74 6.703 -1.122 -3.991 1.00 31.21 C ATOM 1202 O LEU A 74 5.886 -1.901 -4.512 1.00 13.24 O ATOM 1203 CB LEU A 74 6.746 1.353 -4.613 1.00 71.45 C ATOM 1204 CG LEU A 74 6.188 1.175 -6.066 1.00 73.32 C ATOM 1205 CD1 LEU A 74 4.641 1.222 -6.099 1.00 25.41 C ATOM 1206 CD2 LEU A 74 6.796 2.216 -7.038 1.00 10.21 C ATOM 0 H LEU A 74 7.365 1.506 -2.192 1.00 11.02 H new ATOM 0 HA LEU A 74 5.190 0.326 -3.501 1.00 52.14 H new ATOM 0 HB2 LEU A 74 6.464 2.344 -4.258 1.00 71.45 H new ATOM 0 HB3 LEU A 74 7.835 1.328 -4.659 1.00 71.45 H new ATOM 0 HG LEU A 74 6.492 0.184 -6.404 1.00 73.32 H new ATOM 0 HD11 LEU A 74 4.295 1.095 -7.125 1.00 25.41 H new ATOM 0 HD12 LEU A 74 4.239 0.421 -5.479 1.00 25.41 H new ATOM 0 HD13 LEU A 74 4.298 2.184 -5.717 1.00 25.41 H new ATOM 0 HD21 LEU A 74 6.387 2.064 -8.037 1.00 10.21 H new ATOM 0 HD22 LEU A 74 6.551 3.221 -6.695 1.00 10.21 H new ATOM 0 HD23 LEU A 74 7.879 2.097 -7.067 1.00 10.21 H new ATOM 1218 N GLU A 75 7.988 -1.450 -3.749 1.00 53.42 N ATOM 1219 CA GLU A 75 8.529 -2.797 -4.015 1.00 33.20 C ATOM 1220 C GLU A 75 7.914 -3.851 -3.064 1.00 3.41 C ATOM 1221 O GLU A 75 7.566 -4.943 -3.509 1.00 51.14 O ATOM 1222 CB GLU A 75 10.077 -2.812 -3.901 1.00 71.43 C ATOM 1223 CG GLU A 75 10.704 -4.208 -4.142 1.00 72.05 C ATOM 1224 CD GLU A 75 12.236 -4.228 -4.095 1.00 62.40 C ATOM 1225 OE1 GLU A 75 12.812 -3.822 -3.063 1.00 73.34 O ATOM 1226 OE2 GLU A 75 12.871 -4.684 -5.071 1.00 52.05 O ATOM 0 H GLU A 75 8.673 -0.797 -3.368 1.00 53.42 H new ATOM 0 HA GLU A 75 8.255 -3.058 -5.037 1.00 33.20 H new ATOM 0 HB2 GLU A 75 10.493 -2.107 -4.621 1.00 71.43 H new ATOM 0 HB3 GLU A 75 10.363 -2.461 -2.910 1.00 71.43 H new ATOM 0 HG2 GLU A 75 10.320 -4.900 -3.393 1.00 72.05 H new ATOM 0 HG3 GLU A 75 10.377 -4.577 -5.114 1.00 72.05 H new ATOM 1233 N GLU A 76 7.786 -3.512 -1.759 1.00 33.10 N ATOM 1234 CA GLU A 76 7.208 -4.423 -0.730 1.00 51.32 C ATOM 1235 C GLU A 76 5.768 -4.877 -1.067 1.00 64.53 C ATOM 1236 O GLU A 76 5.376 -6.002 -0.722 1.00 65.55 O ATOM 1237 CB GLU A 76 7.248 -3.769 0.683 1.00 23.02 C ATOM 1238 CG GLU A 76 8.649 -3.711 1.326 1.00 32.32 C ATOM 1239 CD GLU A 76 9.310 -5.101 1.490 1.00 51.32 C ATOM 1240 OE1 GLU A 76 8.614 -6.060 1.907 1.00 10.30 O ATOM 1241 OE2 GLU A 76 10.521 -5.241 1.208 1.00 54.34 O ATOM 0 H GLU A 76 8.077 -2.608 -1.387 1.00 33.10 H new ATOM 0 HA GLU A 76 7.834 -5.315 -0.729 1.00 51.32 H new ATOM 0 HB2 GLU A 76 6.854 -2.755 0.611 1.00 23.02 H new ATOM 0 HB3 GLU A 76 6.582 -4.323 1.344 1.00 23.02 H new ATOM 0 HG2 GLU A 76 9.295 -3.080 0.715 1.00 32.32 H new ATOM 0 HG3 GLU A 76 8.572 -3.236 2.304 1.00 32.32 H new ATOM 1248 N ILE A 77 4.993 -4.000 -1.736 1.00 11.23 N ATOM 1249 CA ILE A 77 3.634 -4.343 -2.210 1.00 70.40 C ATOM 1250 C ILE A 77 3.718 -5.405 -3.331 1.00 72.51 C ATOM 1251 O ILE A 77 3.028 -6.416 -3.277 1.00 22.31 O ATOM 1252 CB ILE A 77 2.850 -3.098 -2.763 1.00 62.02 C ATOM 1253 CG1 ILE A 77 2.953 -1.879 -1.802 1.00 0.41 C ATOM 1254 CG2 ILE A 77 1.360 -3.462 -3.007 1.00 15.43 C ATOM 1255 CD1 ILE A 77 2.508 -0.568 -2.419 1.00 53.32 C ATOM 0 H ILE A 77 5.284 -3.049 -1.961 1.00 11.23 H new ATOM 0 HA ILE A 77 3.093 -4.728 -1.346 1.00 70.40 H new ATOM 0 HB ILE A 77 3.310 -2.815 -3.710 1.00 62.02 H new ATOM 0 HG12 ILE A 77 2.349 -2.076 -0.916 1.00 0.41 H new ATOM 0 HG13 ILE A 77 3.986 -1.779 -1.468 1.00 0.41 H new ATOM 0 HG21 ILE A 77 0.830 -2.590 -3.390 1.00 15.43 H new ATOM 0 HG22 ILE A 77 1.298 -4.272 -3.734 1.00 15.43 H new ATOM 0 HG23 ILE A 77 0.905 -3.780 -2.069 1.00 15.43 H new ATOM 0 HD11 ILE A 77 2.610 0.232 -1.686 1.00 53.32 H new ATOM 0 HD12 ILE A 77 3.128 -0.346 -3.288 1.00 53.32 H new ATOM 0 HD13 ILE A 77 1.466 -0.646 -2.728 1.00 53.32 H new ATOM 1267 N GLU A 78 4.597 -5.151 -4.329 1.00 20.14 N ATOM 1268 CA GLU A 78 4.803 -6.048 -5.497 1.00 71.32 C ATOM 1269 C GLU A 78 5.336 -7.442 -5.058 1.00 42.03 C ATOM 1270 O GLU A 78 4.964 -8.474 -5.634 1.00 21.31 O ATOM 1271 CB GLU A 78 5.778 -5.383 -6.512 1.00 35.14 C ATOM 1272 CG GLU A 78 6.055 -6.221 -7.786 1.00 4.30 C ATOM 1273 CD GLU A 78 7.034 -5.558 -8.779 1.00 63.12 C ATOM 1274 OE1 GLU A 78 8.254 -5.557 -8.511 1.00 20.21 O ATOM 1275 OE2 GLU A 78 6.588 -5.052 -9.835 1.00 62.44 O ATOM 0 H GLU A 78 5.185 -4.318 -4.349 1.00 20.14 H new ATOM 0 HA GLU A 78 3.838 -6.204 -5.980 1.00 71.32 H new ATOM 0 HB2 GLU A 78 5.368 -4.418 -6.810 1.00 35.14 H new ATOM 0 HB3 GLU A 78 6.725 -5.186 -6.010 1.00 35.14 H new ATOM 0 HG2 GLU A 78 6.456 -7.190 -7.490 1.00 4.30 H new ATOM 0 HG3 GLU A 78 5.110 -6.410 -8.296 1.00 4.30 H new ATOM 1282 N LYS A 79 6.205 -7.446 -4.028 1.00 52.33 N ATOM 1283 CA LYS A 79 6.702 -8.684 -3.391 1.00 14.34 C ATOM 1284 C LYS A 79 5.537 -9.444 -2.724 1.00 73.14 C ATOM 1285 O LYS A 79 5.412 -10.653 -2.880 1.00 70.24 O ATOM 1286 CB LYS A 79 7.819 -8.370 -2.347 1.00 72.24 C ATOM 1287 CG LYS A 79 9.110 -7.754 -2.942 1.00 30.32 C ATOM 1288 CD LYS A 79 9.754 -8.633 -4.047 1.00 55.42 C ATOM 1289 CE LYS A 79 11.031 -8.013 -4.651 1.00 41.44 C ATOM 1290 NZ LYS A 79 12.144 -7.919 -3.675 1.00 11.02 N ATOM 0 H LYS A 79 6.582 -6.593 -3.614 1.00 52.33 H new ATOM 0 HA LYS A 79 7.136 -9.315 -4.166 1.00 14.34 H new ATOM 0 HB2 LYS A 79 7.417 -7.685 -1.601 1.00 72.24 H new ATOM 0 HB3 LYS A 79 8.079 -9.291 -1.826 1.00 72.24 H new ATOM 0 HG2 LYS A 79 8.879 -6.773 -3.356 1.00 30.32 H new ATOM 0 HG3 LYS A 79 9.834 -7.600 -2.142 1.00 30.32 H new ATOM 0 HD2 LYS A 79 9.995 -9.611 -3.630 1.00 55.42 H new ATOM 0 HD3 LYS A 79 9.026 -8.796 -4.842 1.00 55.42 H new ATOM 0 HE2 LYS A 79 11.352 -8.612 -5.503 1.00 41.44 H new ATOM 0 HE3 LYS A 79 10.801 -7.017 -5.030 1.00 41.44 H new ATOM 0 HZ1 LYS A 79 12.975 -7.496 -4.136 1.00 11.02 H new ATOM 0 HZ2 LYS A 79 11.853 -7.325 -2.872 1.00 11.02 H new ATOM 0 HZ3 LYS A 79 12.386 -8.870 -3.332 1.00 11.02 H new ATOM 1304 N LEU A 80 4.667 -8.700 -2.014 1.00 10.31 N ATOM 1305 CA LEU A 80 3.473 -9.274 -1.346 1.00 12.42 C ATOM 1306 C LEU A 80 2.500 -9.871 -2.404 1.00 65.21 C ATOM 1307 O LEU A 80 1.894 -10.905 -2.161 1.00 12.24 O ATOM 1308 CB LEU A 80 2.772 -8.183 -0.458 1.00 22.44 C ATOM 1309 CG LEU A 80 1.870 -8.684 0.739 1.00 62.34 C ATOM 1310 CD1 LEU A 80 1.596 -7.545 1.747 1.00 60.42 C ATOM 1311 CD2 LEU A 80 0.532 -9.298 0.265 1.00 40.12 C ATOM 0 H LEU A 80 4.766 -7.693 -1.885 1.00 10.31 H new ATOM 0 HA LEU A 80 3.783 -10.086 -0.688 1.00 12.42 H new ATOM 0 HB2 LEU A 80 3.547 -7.536 -0.047 1.00 22.44 H new ATOM 0 HB3 LEU A 80 2.153 -7.566 -1.110 1.00 22.44 H new ATOM 0 HG LEU A 80 2.436 -9.473 1.233 1.00 62.34 H new ATOM 0 HD11 LEU A 80 0.973 -7.920 2.559 1.00 60.42 H new ATOM 0 HD12 LEU A 80 2.541 -7.182 2.152 1.00 60.42 H new ATOM 0 HD13 LEU A 80 1.081 -6.728 1.242 1.00 60.42 H new ATOM 0 HD21 LEU A 80 -0.045 -9.624 1.130 1.00 40.12 H new ATOM 0 HD22 LEU A 80 -0.036 -8.550 -0.289 1.00 40.12 H new ATOM 0 HD23 LEU A 80 0.733 -10.153 -0.381 1.00 40.12 H new ATOM 1323 N LEU A 81 2.401 -9.219 -3.584 1.00 35.44 N ATOM 1324 CA LEU A 81 1.524 -9.656 -4.701 1.00 31.25 C ATOM 1325 C LEU A 81 1.924 -11.034 -5.261 1.00 73.05 C ATOM 1326 O LEU A 81 1.071 -11.920 -5.426 1.00 32.13 O ATOM 1327 CB LEU A 81 1.544 -8.594 -5.837 1.00 53.04 C ATOM 1328 CG LEU A 81 0.852 -7.242 -5.498 1.00 11.13 C ATOM 1329 CD1 LEU A 81 0.914 -6.245 -6.679 1.00 14.34 C ATOM 1330 CD2 LEU A 81 -0.597 -7.484 -5.033 1.00 64.14 C ATOM 0 H LEU A 81 2.928 -8.371 -3.792 1.00 35.44 H new ATOM 0 HA LEU A 81 0.515 -9.752 -4.301 1.00 31.25 H new ATOM 0 HB2 LEU A 81 2.581 -8.394 -6.107 1.00 53.04 H new ATOM 0 HB3 LEU A 81 1.062 -9.019 -6.717 1.00 53.04 H new ATOM 0 HG LEU A 81 1.402 -6.782 -4.677 1.00 11.13 H new ATOM 0 HD11 LEU A 81 0.419 -5.316 -6.397 1.00 14.34 H new ATOM 0 HD12 LEU A 81 1.955 -6.040 -6.928 1.00 14.34 H new ATOM 0 HD13 LEU A 81 0.412 -6.675 -7.545 1.00 14.34 H new ATOM 0 HD21 LEU A 81 -1.068 -6.529 -4.799 1.00 64.14 H new ATOM 0 HD22 LEU A 81 -1.156 -7.980 -5.827 1.00 64.14 H new ATOM 0 HD23 LEU A 81 -0.593 -8.114 -4.144 1.00 64.14 H new ATOM 1342 N LYS A 82 3.222 -11.194 -5.559 1.00 33.12 N ATOM 1343 CA LYS A 82 3.771 -12.455 -6.100 1.00 74.53 C ATOM 1344 C LYS A 82 3.642 -13.603 -5.068 1.00 32.34 C ATOM 1345 O LYS A 82 3.235 -14.720 -5.408 1.00 71.24 O ATOM 1346 CB LYS A 82 5.254 -12.265 -6.517 1.00 60.43 C ATOM 1347 CG LYS A 82 5.881 -13.509 -7.191 1.00 61.23 C ATOM 1348 CD LYS A 82 7.360 -13.301 -7.580 1.00 52.52 C ATOM 1349 CE LYS A 82 7.958 -14.538 -8.273 1.00 73.43 C ATOM 1350 NZ LYS A 82 9.387 -14.347 -8.635 1.00 4.10 N ATOM 0 H LYS A 82 3.920 -10.461 -5.434 1.00 33.12 H new ATOM 0 HA LYS A 82 3.192 -12.726 -6.983 1.00 74.53 H new ATOM 0 HB2 LYS A 82 5.323 -11.420 -7.202 1.00 60.43 H new ATOM 0 HB3 LYS A 82 5.839 -12.009 -5.634 1.00 60.43 H new ATOM 0 HG2 LYS A 82 5.805 -14.360 -6.514 1.00 61.23 H new ATOM 0 HG3 LYS A 82 5.308 -13.760 -8.084 1.00 61.23 H new ATOM 0 HD2 LYS A 82 7.442 -12.440 -8.243 1.00 52.52 H new ATOM 0 HD3 LYS A 82 7.940 -13.071 -6.686 1.00 52.52 H new ATOM 0 HE2 LYS A 82 7.865 -15.401 -7.614 1.00 73.43 H new ATOM 0 HE3 LYS A 82 7.384 -14.760 -9.173 1.00 73.43 H new ATOM 0 HZ1 LYS A 82 9.745 -15.206 -9.099 1.00 4.10 H new ATOM 0 HZ2 LYS A 82 9.476 -13.540 -9.285 1.00 4.10 H new ATOM 0 HZ3 LYS A 82 9.941 -14.161 -7.775 1.00 4.10 H new ATOM 1364 N LYS A 83 3.983 -13.290 -3.802 1.00 21.11 N ATOM 1365 CA LYS A 83 3.903 -14.241 -2.663 1.00 43.12 C ATOM 1366 C LYS A 83 2.432 -14.644 -2.344 1.00 44.22 C ATOM 1367 O LYS A 83 2.171 -15.783 -1.946 1.00 43.11 O ATOM 1368 CB LYS A 83 4.617 -13.638 -1.403 1.00 51.11 C ATOM 1369 CG LYS A 83 6.162 -13.854 -1.340 1.00 63.33 C ATOM 1370 CD LYS A 83 6.940 -13.334 -2.578 1.00 14.44 C ATOM 1371 CE LYS A 83 8.467 -13.476 -2.436 1.00 43.30 C ATOM 1372 NZ LYS A 83 8.882 -14.883 -2.216 1.00 11.01 N ATOM 0 H LYS A 83 4.324 -12.367 -3.534 1.00 21.11 H new ATOM 0 HA LYS A 83 4.422 -15.155 -2.951 1.00 43.12 H new ATOM 0 HB2 LYS A 83 4.415 -12.567 -1.370 1.00 51.11 H new ATOM 0 HB3 LYS A 83 4.170 -14.074 -0.510 1.00 51.11 H new ATOM 0 HG2 LYS A 83 6.549 -13.358 -0.450 1.00 63.33 H new ATOM 0 HG3 LYS A 83 6.362 -14.919 -1.223 1.00 63.33 H new ATOM 0 HD2 LYS A 83 6.611 -13.880 -3.462 1.00 14.44 H new ATOM 0 HD3 LYS A 83 6.692 -12.285 -2.741 1.00 14.44 H new ATOM 0 HE2 LYS A 83 8.951 -13.093 -3.335 1.00 43.30 H new ATOM 0 HE3 LYS A 83 8.811 -12.863 -1.603 1.00 43.30 H new ATOM 0 HZ1 LYS A 83 9.920 -14.942 -2.211 1.00 11.01 H new ATOM 0 HZ2 LYS A 83 8.512 -15.215 -1.303 1.00 11.01 H new ATOM 0 HZ3 LYS A 83 8.505 -15.480 -2.980 1.00 11.01 H new ATOM 1386 N ALA A 84 1.487 -13.698 -2.544 1.00 10.33 N ATOM 1387 CA ALA A 84 0.028 -13.934 -2.354 1.00 50.01 C ATOM 1388 C ALA A 84 -0.578 -14.720 -3.538 1.00 21.12 C ATOM 1389 O ALA A 84 -1.570 -15.433 -3.371 1.00 61.03 O ATOM 1390 CB ALA A 84 -0.726 -12.599 -2.172 1.00 33.50 C ATOM 0 H ALA A 84 1.709 -12.748 -2.842 1.00 10.33 H new ATOM 0 HA ALA A 84 -0.087 -14.533 -1.450 1.00 50.01 H new ATOM 0 HB1 ALA A 84 -1.789 -12.797 -2.035 1.00 33.50 H new ATOM 0 HB2 ALA A 84 -0.338 -12.079 -1.296 1.00 33.50 H new ATOM 0 HB3 ALA A 84 -0.584 -11.977 -3.056 1.00 33.50 H new