USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 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 71 THR OG1 : rot -82:sc= 1.18 USER MOD Set 1.2: A 74 GLN : amide:sc= 1.51 K(o=2.7,f=-4.8!) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -0.142 X(o=-0.19,f=0.19) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.0522 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.07) USER MOD Single : A 22 CYS SG : rot 18:sc= 0.147 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.926 USER MOD Single : A 30 SER OG : rot 93:sc= 0.0595 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= 1.03 K(o=1,f=-5.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.67) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 77 CYS SG : rot 51:sc= 0.0516 USER MOD Single : A 78 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= -0.0778 X(o=-0.078,f=-0.078) USER MOD Single : A 82 THR OG1 : rot -44:sc= 0.734 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -3.993 -5.505 -12.058 1.00 1.04 N ATOM 80 CA ILE A 7 -3.052 -4.594 -11.419 1.00 1.15 C ATOM 81 C ILE A 7 -3.415 -3.239 -11.934 1.00 15.44 C ATOM 82 O ILE A 7 -3.707 -3.071 -13.118 1.00 11.14 O ATOM 83 CB ILE A 7 -1.544 -4.883 -11.712 1.00 71.40 C ATOM 84 CG1 ILE A 7 -1.031 -6.089 -10.890 1.00 11.33 C ATOM 85 CG2 ILE A 7 -0.688 -3.617 -11.422 1.00 41.12 C ATOM 86 CD1 ILE A 7 -1.624 -7.418 -11.284 1.00 73.45 C ATOM 0 HA ILE A 7 -3.137 -4.702 -10.338 1.00 1.15 H new ATOM 0 HB ILE A 7 -1.447 -5.139 -12.767 1.00 71.40 H new ATOM 0 HG12 ILE A 7 0.053 -6.146 -10.991 1.00 11.33 H new ATOM 0 HG13 ILE A 7 -1.244 -5.910 -9.836 1.00 11.33 H new ATOM 0 HG21 ILE A 7 0.360 -3.831 -11.630 1.00 41.12 H new ATOM 0 HG22 ILE A 7 -1.024 -2.797 -12.057 1.00 41.12 H new ATOM 0 HG23 ILE A 7 -0.800 -3.334 -10.375 1.00 41.12 H new ATOM 0 HD11 ILE A 7 -1.206 -8.204 -10.655 1.00 73.45 H new ATOM 0 HD12 ILE A 7 -2.706 -7.386 -11.155 1.00 73.45 H new ATOM 0 HD13 ILE A 7 -1.389 -7.626 -12.328 1.00 73.45 H new ATOM 98 N PHE A 8 -3.420 -2.252 -11.051 1.00 4.43 N ATOM 99 CA PHE A 8 -3.707 -0.916 -11.444 1.00 42.13 C ATOM 100 C PHE A 8 -2.723 -0.066 -10.719 1.00 41.03 C ATOM 101 O PHE A 8 -2.207 -0.471 -9.664 1.00 32.42 O ATOM 102 CB PHE A 8 -5.169 -0.433 -11.132 1.00 12.34 C ATOM 103 CG PHE A 8 -5.527 -0.666 -9.675 1.00 51.34 C ATOM 104 CD1 PHE A 8 -5.767 -1.979 -9.169 1.00 43.13 C ATOM 105 CD2 PHE A 8 -5.664 0.433 -8.795 1.00 31.11 C ATOM 106 CE1 PHE A 8 -6.121 -2.165 -7.818 1.00 50.15 C ATOM 107 CE2 PHE A 8 -6.021 0.236 -7.449 1.00 41.32 C ATOM 108 CZ PHE A 8 -6.249 -1.057 -6.963 1.00 51.42 C ATOM 0 H PHE A 8 -3.225 -2.371 -10.057 1.00 4.43 H new ATOM 0 HA PHE A 8 -3.631 -0.847 -12.529 1.00 42.13 H new ATOM 0 HB2 PHE A 8 -5.262 0.627 -11.367 1.00 12.34 H new ATOM 0 HB3 PHE A 8 -5.874 -0.964 -11.772 1.00 12.34 H new ATOM 0 HD1 PHE A 8 -5.677 -2.833 -9.824 1.00 43.13 H new ATOM 0 HD2 PHE A 8 -5.493 1.435 -9.161 1.00 31.11 H new ATOM 0 HE1 PHE A 8 -6.294 -3.161 -7.439 1.00 50.15 H new ATOM 0 HE2 PHE A 8 -6.120 1.085 -6.788 1.00 41.32 H new ATOM 0 HZ PHE A 8 -6.524 -1.203 -5.929 1.00 51.42 H new ATOM 118 N GLU A 9 -2.404 1.110 -11.284 1.00 5.11 N ATOM 119 CA GLU A 9 -1.465 1.984 -10.670 1.00 3.55 C ATOM 120 C GLU A 9 -2.249 3.068 -10.021 1.00 22.24 C ATOM 121 O GLU A 9 -3.263 3.541 -10.558 1.00 72.44 O ATOM 122 CB GLU A 9 -0.477 2.660 -11.656 1.00 62.14 C ATOM 123 CG GLU A 9 0.278 1.666 -12.563 1.00 11.32 C ATOM 124 CD GLU A 9 -0.445 1.552 -13.876 1.00 13.54 C ATOM 125 OE1 GLU A 9 -0.392 2.524 -14.671 1.00 74.45 O ATOM 126 OE2 GLU A 9 -1.047 0.498 -14.148 1.00 33.42 O ATOM 0 H GLU A 9 -2.796 1.452 -12.162 1.00 5.11 H new ATOM 0 HA GLU A 9 -0.866 1.385 -9.984 1.00 3.55 H new ATOM 0 HB2 GLU A 9 -1.027 3.362 -12.282 1.00 62.14 H new ATOM 0 HB3 GLU A 9 0.249 3.241 -11.087 1.00 62.14 H new ATOM 0 HG2 GLU A 9 1.301 2.007 -12.725 1.00 11.32 H new ATOM 0 HG3 GLU A 9 0.340 0.690 -12.082 1.00 11.32 H new ATOM 133 N VAL A 10 -1.801 3.483 -8.849 1.00 55.14 N ATOM 134 CA VAL A 10 -2.359 4.602 -8.185 1.00 1.42 C ATOM 135 C VAL A 10 -1.193 5.469 -7.909 1.00 62.33 C ATOM 136 O VAL A 10 -0.204 5.027 -7.333 1.00 75.21 O ATOM 137 CB VAL A 10 -3.028 4.240 -6.856 1.00 65.31 C ATOM 138 CG1 VAL A 10 -3.502 5.523 -6.140 1.00 43.31 C ATOM 139 CG2 VAL A 10 -4.183 3.263 -7.151 1.00 23.24 C ATOM 0 H VAL A 10 -1.035 3.037 -8.345 1.00 55.14 H new ATOM 0 HA VAL A 10 -3.136 5.061 -8.795 1.00 1.42 H new ATOM 0 HB VAL A 10 -2.326 3.749 -6.182 1.00 65.31 H new ATOM 0 HG11 VAL A 10 -3.977 5.258 -5.195 1.00 43.31 H new ATOM 0 HG12 VAL A 10 -2.646 6.169 -5.947 1.00 43.31 H new ATOM 0 HG13 VAL A 10 -4.218 6.049 -6.771 1.00 43.31 H new ATOM 0 HG21 VAL A 10 -4.676 2.990 -6.218 1.00 23.24 H new ATOM 0 HG22 VAL A 10 -4.903 3.741 -7.815 1.00 23.24 H new ATOM 0 HG23 VAL A 10 -3.788 2.366 -7.629 1.00 23.24 H new ATOM 149 N GLU A 11 -1.269 6.725 -8.337 1.00 53.15 N ATOM 150 CA GLU A 11 -0.253 7.662 -8.000 1.00 12.00 C ATOM 151 C GLU A 11 -0.789 8.385 -6.821 1.00 73.33 C ATOM 152 O GLU A 11 -1.930 8.846 -6.841 1.00 65.33 O ATOM 153 CB GLU A 11 0.075 8.650 -9.135 1.00 34.24 C ATOM 154 CG GLU A 11 -1.147 9.394 -9.696 1.00 4.41 C ATOM 155 CD GLU A 11 -0.756 10.106 -10.961 1.00 13.00 C ATOM 156 OE1 GLU A 11 0.450 10.098 -11.318 1.00 64.30 O ATOM 157 OE2 GLU A 11 -1.660 10.659 -11.621 1.00 1.13 O ATOM 0 H GLU A 11 -2.025 7.096 -8.912 1.00 53.15 H new ATOM 0 HA GLU A 11 0.689 7.149 -7.805 1.00 12.00 H new ATOM 0 HB2 GLU A 11 0.795 9.382 -8.768 1.00 34.24 H new ATOM 0 HB3 GLU A 11 0.559 8.106 -9.946 1.00 34.24 H new ATOM 0 HG2 GLU A 11 -1.955 8.691 -9.896 1.00 4.41 H new ATOM 0 HG3 GLU A 11 -1.520 10.109 -8.963 1.00 4.41 H new ATOM 164 N LEU A 12 -0.031 8.409 -5.737 1.00 65.04 N ATOM 165 CA LEU A 12 -0.529 8.921 -4.508 1.00 75.14 C ATOM 166 C LEU A 12 0.188 10.182 -4.256 1.00 42.33 C ATOM 167 O LEU A 12 1.406 10.183 -4.148 1.00 3.14 O ATOM 168 CB LEU A 12 -0.230 7.961 -3.319 1.00 34.31 C ATOM 169 CG LEU A 12 -1.358 7.866 -2.277 1.00 51.23 C ATOM 170 CD1 LEU A 12 -1.599 9.174 -1.509 1.00 44.11 C ATOM 171 CD2 LEU A 12 -2.643 7.299 -2.885 1.00 74.00 C ATOM 0 H LEU A 12 0.932 8.075 -5.701 1.00 65.04 H new ATOM 0 HA LEU A 12 -1.609 9.047 -4.582 1.00 75.14 H new ATOM 0 HB2 LEU A 12 -0.032 6.964 -3.714 1.00 34.31 H new ATOM 0 HB3 LEU A 12 0.681 8.293 -2.821 1.00 34.31 H new ATOM 0 HG LEU A 12 -1.013 7.156 -1.525 1.00 51.23 H new ATOM 0 HD11 LEU A 12 -2.408 9.031 -0.792 1.00 44.11 H new ATOM 0 HD12 LEU A 12 -0.690 9.457 -0.978 1.00 44.11 H new ATOM 0 HD13 LEU A 12 -1.871 9.963 -2.210 1.00 44.11 H new ATOM 0 HD21 LEU A 12 -3.416 7.247 -2.118 1.00 74.00 H new ATOM 0 HD22 LEU A 12 -2.978 7.946 -3.696 1.00 74.00 H new ATOM 0 HD23 LEU A 12 -2.451 6.299 -3.275 1.00 74.00 H new ATOM 183 N ALA A 13 -0.556 11.294 -4.135 1.00 10.23 N ATOM 184 CA ALA A 13 0.026 12.532 -3.694 1.00 75.12 C ATOM 185 C ALA A 13 -0.003 12.442 -2.203 1.00 0.11 C ATOM 186 O ALA A 13 -1.064 12.490 -1.577 1.00 42.51 O ATOM 187 CB ALA A 13 -0.741 13.776 -4.145 1.00 1.45 C ATOM 0 H ALA A 13 -1.554 11.342 -4.340 1.00 10.23 H new ATOM 0 HA ALA A 13 1.022 12.648 -4.120 1.00 75.12 H new ATOM 0 HB1 ALA A 13 -0.238 14.668 -3.772 1.00 1.45 H new ATOM 0 HB2 ALA A 13 -0.776 13.807 -5.234 1.00 1.45 H new ATOM 0 HB3 ALA A 13 -1.757 13.740 -3.751 1.00 1.45 H new ATOM 193 N LYS A 14 1.163 12.153 -1.649 1.00 11.44 N ATOM 194 CA LYS A 14 1.316 11.700 -0.308 1.00 33.33 C ATOM 195 C LYS A 14 2.177 12.699 0.423 1.00 12.02 C ATOM 196 O LYS A 14 3.089 12.293 1.171 1.00 51.14 O ATOM 197 CB LYS A 14 1.975 10.312 -0.203 1.00 15.13 C ATOM 198 CG LYS A 14 1.754 9.656 1.178 1.00 42.12 C ATOM 199 CD LYS A 14 2.671 8.487 1.471 1.00 22.41 C ATOM 200 CE LYS A 14 4.159 8.830 1.323 1.00 75.14 C ATOM 201 NZ LYS A 14 4.520 10.068 2.065 1.00 5.24 N ATOM 0 H LYS A 14 2.047 12.235 -2.150 1.00 11.44 H new ATOM 0 HA LYS A 14 0.320 11.611 0.126 1.00 33.33 H new ATOM 0 HB2 LYS A 14 1.571 9.662 -0.979 1.00 15.13 H new ATOM 0 HB3 LYS A 14 3.045 10.406 -0.390 1.00 15.13 H new ATOM 0 HG2 LYS A 14 1.891 10.412 1.951 1.00 42.12 H new ATOM 0 HG3 LYS A 14 0.720 9.316 1.244 1.00 42.12 H new ATOM 0 HD2 LYS A 14 2.486 8.135 2.486 1.00 22.41 H new ATOM 0 HD3 LYS A 14 2.426 7.665 0.798 1.00 22.41 H new ATOM 0 HE2 LYS A 14 4.761 7.999 1.689 1.00 75.14 H new ATOM 0 HE3 LYS A 14 4.399 8.957 0.267 1.00 75.14 H new ATOM 0 HZ1 LYS A 14 5.548 10.219 2.010 1.00 5.24 H new ATOM 0 HZ2 LYS A 14 4.028 10.881 1.643 1.00 5.24 H new ATOM 0 HZ3 LYS A 14 4.237 9.971 3.061 1.00 5.24 H new ATOM 285 N GLY A 20 -0.482 8.638 7.227 1.00 22.42 N ATOM 286 CA GLY A 20 -1.625 7.987 7.792 1.00 53.53 C ATOM 287 C GLY A 20 -1.935 6.769 7.021 1.00 44.23 C ATOM 288 O GLY A 20 -3.109 6.472 6.753 1.00 24.24 O ATOM 0 HA2 GLY A 20 -1.431 7.730 8.833 1.00 53.53 H new ATOM 0 HA3 GLY A 20 -2.481 8.662 7.784 1.00 53.53 H new ATOM 292 N ILE A 21 -0.898 6.027 6.644 1.00 3.13 N ATOM 293 CA ILE A 21 -1.085 4.770 6.032 1.00 73.42 C ATOM 294 C ILE A 21 -0.163 3.880 6.802 1.00 5.43 C ATOM 295 O ILE A 21 0.933 4.306 7.168 1.00 11.34 O ATOM 296 CB ILE A 21 -0.650 4.750 4.553 1.00 52.21 C ATOM 297 CG1 ILE A 21 -1.192 5.991 3.795 1.00 54.23 C ATOM 298 CG2 ILE A 21 -1.096 3.405 3.909 1.00 33.54 C ATOM 299 CD1 ILE A 21 -0.743 6.058 2.328 1.00 31.13 C ATOM 0 H ILE A 21 0.077 6.301 6.764 1.00 3.13 H new ATOM 0 HA ILE A 21 -2.136 4.482 6.043 1.00 73.42 H new ATOM 0 HB ILE A 21 0.436 4.811 4.485 1.00 52.21 H new ATOM 0 HG12 ILE A 21 -2.281 5.983 3.833 1.00 54.23 H new ATOM 0 HG13 ILE A 21 -0.862 6.894 4.309 1.00 54.23 H new ATOM 0 HG21 ILE A 21 -0.792 3.384 2.863 1.00 33.54 H new ATOM 0 HG22 ILE A 21 -0.629 2.575 4.440 1.00 33.54 H new ATOM 0 HG23 ILE A 21 -2.180 3.313 3.973 1.00 33.54 H new ATOM 0 HD11 ILE A 21 -1.159 6.951 1.861 1.00 31.13 H new ATOM 0 HD12 ILE A 21 0.345 6.098 2.282 1.00 31.13 H new ATOM 0 HD13 ILE A 21 -1.096 5.173 1.799 1.00 31.13 H new ATOM 311 N CYS A 22 -0.561 2.626 7.022 1.00 41.22 N ATOM 312 CA CYS A 22 0.365 1.649 7.537 1.00 21.43 C ATOM 313 C CYS A 22 -0.093 0.381 6.922 1.00 52.51 C ATOM 314 O CYS A 22 -1.155 0.327 6.284 1.00 11.30 O ATOM 315 CB CYS A 22 0.338 1.453 9.092 1.00 22.12 C ATOM 316 SG CYS A 22 1.269 2.747 10.002 1.00 64.10 S ATOM 0 H CYS A 22 -1.505 2.279 6.851 1.00 41.22 H new ATOM 0 HA CYS A 22 1.382 1.967 7.306 1.00 21.43 H new ATOM 0 HB2 CYS A 22 -0.697 1.452 9.433 1.00 22.12 H new ATOM 0 HB3 CYS A 22 0.755 0.476 9.336 1.00 22.12 H new ATOM 0 HG CYS A 22 1.455 3.774 9.227 1.00 64.10 H new ATOM 321 N VAL A 23 0.769 -0.626 6.953 1.00 24.14 N ATOM 322 CA VAL A 23 0.654 -1.730 6.068 1.00 71.23 C ATOM 323 C VAL A 23 1.127 -2.919 6.840 1.00 74.45 C ATOM 324 O VAL A 23 1.665 -2.777 7.936 1.00 1.03 O ATOM 325 CB VAL A 23 1.538 -1.566 4.826 1.00 41.34 C ATOM 326 CG1 VAL A 23 0.791 -0.688 3.796 1.00 70.04 C ATOM 327 CG2 VAL A 23 2.893 -0.958 5.248 1.00 74.12 C ATOM 0 H VAL A 23 1.558 -0.682 7.597 1.00 24.14 H new ATOM 0 HA VAL A 23 -0.375 -1.824 5.720 1.00 71.23 H new ATOM 0 HB VAL A 23 1.743 -2.528 4.357 1.00 41.34 H new ATOM 0 HG11 VAL A 23 1.410 -0.564 2.907 1.00 70.04 H new ATOM 0 HG12 VAL A 23 -0.147 -1.169 3.520 1.00 70.04 H new ATOM 0 HG13 VAL A 23 0.583 0.289 4.233 1.00 70.04 H new ATOM 0 HG21 VAL A 23 3.527 -0.838 4.370 1.00 74.12 H new ATOM 0 HG22 VAL A 23 2.727 0.015 5.711 1.00 74.12 H new ATOM 0 HG23 VAL A 23 3.383 -1.621 5.962 1.00 74.12 H new ATOM 337 N THR A 24 0.902 -4.104 6.292 1.00 12.34 N ATOM 338 CA THR A 24 1.300 -5.325 6.907 1.00 35.42 C ATOM 339 C THR A 24 1.669 -6.207 5.741 1.00 14.25 C ATOM 340 O THR A 24 1.405 -5.854 4.605 1.00 1.43 O ATOM 341 CB THR A 24 0.215 -5.986 7.783 1.00 22.14 C ATOM 342 OG1 THR A 24 0.705 -7.183 8.416 1.00 5.30 O ATOM 343 CG2 THR A 24 -1.040 -6.295 6.926 1.00 51.41 C ATOM 0 H THR A 24 0.431 -4.227 5.396 1.00 12.34 H new ATOM 0 HA THR A 24 2.114 -5.153 7.611 1.00 35.42 H new ATOM 0 HB THR A 24 -0.057 -5.287 8.574 1.00 22.14 H new ATOM 0 HG1 THR A 24 -0.005 -7.577 8.965 1.00 5.30 H new ATOM 0 HG21 THR A 24 -1.802 -6.761 7.551 1.00 51.41 H new ATOM 0 HG22 THR A 24 -1.432 -5.368 6.507 1.00 51.41 H new ATOM 0 HG23 THR A 24 -0.770 -6.973 6.116 1.00 51.41 H new ATOM 351 N GLY A 25 2.330 -7.334 6.017 1.00 51.24 N ATOM 352 CA GLY A 25 2.764 -8.241 4.967 1.00 32.21 C ATOM 353 C GLY A 25 4.237 -8.222 4.961 1.00 34.21 C ATOM 354 O GLY A 25 4.849 -7.631 5.858 1.00 14.13 O ATOM 0 H GLY A 25 2.573 -7.635 6.961 1.00 51.24 H new ATOM 0 HA2 GLY A 25 2.392 -9.249 5.151 1.00 32.21 H new ATOM 0 HA3 GLY A 25 2.371 -7.927 4.000 1.00 32.21 H new ATOM 358 N GLY A 26 4.860 -8.886 3.963 1.00 4.44 N ATOM 359 CA GLY A 26 6.294 -8.878 3.862 1.00 52.22 C ATOM 360 C GLY A 26 6.797 -10.291 3.876 1.00 71.01 C ATOM 361 O GLY A 26 6.435 -11.114 3.030 1.00 32.42 O ATOM 0 H GLY A 26 4.381 -9.420 3.238 1.00 4.44 H new ATOM 0 HA2 GLY A 26 6.603 -8.378 2.944 1.00 52.22 H new ATOM 0 HA3 GLY A 26 6.726 -8.317 4.691 1.00 52.22 H new ATOM 365 N VAL A 27 7.688 -10.584 4.843 1.00 42.20 N ATOM 366 CA VAL A 27 8.477 -11.816 4.947 1.00 22.24 C ATOM 367 C VAL A 27 7.638 -13.028 5.364 1.00 24.02 C ATOM 368 O VAL A 27 8.192 -13.996 5.894 1.00 54.33 O ATOM 369 CB VAL A 27 9.634 -11.658 5.916 1.00 61.51 C ATOM 370 CG1 VAL A 27 10.613 -10.639 5.311 1.00 63.53 C ATOM 371 CG2 VAL A 27 9.089 -11.216 7.294 1.00 72.50 C ATOM 0 H VAL A 27 7.882 -9.935 5.606 1.00 42.20 H new ATOM 0 HA VAL A 27 8.863 -11.999 3.944 1.00 22.24 H new ATOM 0 HB VAL A 27 10.165 -12.597 6.073 1.00 61.51 H new ATOM 0 HG11 VAL A 27 11.459 -10.502 5.985 1.00 63.53 H new ATOM 0 HG12 VAL A 27 10.971 -11.006 4.349 1.00 63.53 H new ATOM 0 HG13 VAL A 27 10.104 -9.686 5.169 1.00 63.53 H new ATOM 0 HG21 VAL A 27 9.917 -11.101 7.993 1.00 72.50 H new ATOM 0 HG22 VAL A 27 8.567 -10.265 7.191 1.00 72.50 H new ATOM 0 HG23 VAL A 27 8.398 -11.970 7.671 1.00 72.50 H new ATOM 381 N ASN A 28 6.311 -12.960 5.195 1.00 3.14 N ATOM 382 CA ASN A 28 5.355 -13.926 5.764 1.00 44.23 C ATOM 383 C ASN A 28 5.025 -13.428 7.121 1.00 61.42 C ATOM 384 O ASN A 28 5.298 -14.032 8.143 1.00 61.21 O ATOM 385 CB ASN A 28 5.765 -15.443 5.813 1.00 12.10 C ATOM 386 CG ASN A 28 4.543 -16.285 6.215 1.00 53.14 C ATOM 387 OD1 ASN A 28 4.310 -16.548 7.400 1.00 32.43 O ATOM 388 ND2 ASN A 28 3.745 -16.718 5.229 1.00 23.23 N ATOM 0 H ASN A 28 5.862 -12.223 4.652 1.00 3.14 H new ATOM 0 HA ASN A 28 4.511 -13.959 5.076 1.00 44.23 H new ATOM 0 HB2 ASN A 28 6.138 -15.763 4.840 1.00 12.10 H new ATOM 0 HB3 ASN A 28 6.574 -15.590 6.528 1.00 12.10 H new ATOM 0 HD21 ASN A 28 2.922 -17.279 5.448 1.00 23.23 H new ATOM 0 HD22 ASN A 28 3.961 -16.486 4.259 1.00 23.23 H new ATOM 395 N THR A 29 4.401 -12.273 7.095 1.00 43.40 N ATOM 396 CA THR A 29 3.799 -11.660 8.229 1.00 32.33 C ATOM 397 C THR A 29 2.409 -12.301 8.297 1.00 42.33 C ATOM 398 O THR A 29 2.196 -13.349 7.700 1.00 25.11 O ATOM 399 CB THR A 29 3.733 -10.138 8.092 1.00 14.22 C ATOM 400 OG1 THR A 29 4.968 -9.688 7.507 1.00 54.30 O ATOM 401 CG2 THR A 29 3.586 -9.481 9.496 1.00 63.13 C ATOM 0 H THR A 29 4.302 -11.722 6.242 1.00 43.40 H new ATOM 0 HA THR A 29 4.371 -11.818 9.143 1.00 32.33 H new ATOM 0 HB THR A 29 2.879 -9.863 7.473 1.00 14.22 H new ATOM 0 HG1 THR A 29 4.888 -8.743 7.260 1.00 54.30 H new ATOM 0 HG21 THR A 29 3.540 -8.397 9.388 1.00 63.13 H new ATOM 0 HG22 THR A 29 2.672 -9.837 9.971 1.00 63.13 H new ATOM 0 HG23 THR A 29 4.443 -9.748 10.114 1.00 63.13 H new ATOM 409 N SER A 30 1.493 -11.724 9.082 1.00 44.25 N ATOM 410 CA SER A 30 0.132 -12.221 9.315 1.00 5.23 C ATOM 411 C SER A 30 -0.503 -12.829 8.062 1.00 0.31 C ATOM 412 O SER A 30 -1.175 -13.857 8.141 1.00 74.14 O ATOM 413 CB SER A 30 -0.764 -11.061 9.786 1.00 71.34 C ATOM 414 OG SER A 30 -0.041 -10.275 10.752 1.00 41.35 O ATOM 0 H SER A 30 1.687 -10.863 9.593 1.00 44.25 H new ATOM 0 HA SER A 30 0.210 -13.003 10.070 1.00 5.23 H new ATOM 0 HB2 SER A 30 -1.055 -10.441 8.938 1.00 71.34 H new ATOM 0 HB3 SER A 30 -1.682 -11.449 10.227 1.00 71.34 H new ATOM 0 HG SER A 30 0.417 -9.537 10.297 1.00 41.35 H new ATOM 420 N VAL A 31 -0.291 -12.201 6.884 1.00 61.04 N ATOM 421 CA VAL A 31 -0.918 -12.662 5.677 1.00 23.24 C ATOM 422 C VAL A 31 -0.046 -13.760 5.078 1.00 2.24 C ATOM 423 O VAL A 31 1.181 -13.641 5.007 1.00 1.14 O ATOM 424 CB VAL A 31 -1.137 -11.559 4.650 1.00 71.54 C ATOM 425 CG1 VAL A 31 -2.308 -10.684 5.140 1.00 54.40 C ATOM 426 CG2 VAL A 31 0.175 -10.753 4.479 1.00 12.01 C ATOM 0 H VAL A 31 0.308 -11.383 6.768 1.00 61.04 H new ATOM 0 HA VAL A 31 -1.909 -13.035 5.937 1.00 23.24 H new ATOM 0 HB VAL A 31 -1.394 -11.963 3.671 1.00 71.54 H new ATOM 0 HG11 VAL A 31 -2.489 -9.883 4.423 1.00 54.40 H new ATOM 0 HG12 VAL A 31 -3.205 -11.296 5.234 1.00 54.40 H new ATOM 0 HG13 VAL A 31 -2.059 -10.253 6.110 1.00 54.40 H new ATOM 0 HG21 VAL A 31 0.023 -9.962 3.745 1.00 12.01 H new ATOM 0 HG22 VAL A 31 0.458 -10.311 5.435 1.00 12.01 H new ATOM 0 HG23 VAL A 31 0.968 -11.418 4.137 1.00 12.01 H new ATOM 436 N ARG A 32 -0.691 -14.863 4.638 1.00 40.12 N ATOM 437 CA ARG A 32 0.016 -16.017 4.084 1.00 13.32 C ATOM 438 C ARG A 32 0.540 -15.649 2.718 1.00 1.24 C ATOM 439 O ARG A 32 1.623 -16.060 2.328 1.00 12.44 O ATOM 440 CB ARG A 32 -0.895 -17.257 3.920 1.00 35.42 C ATOM 441 CG ARG A 32 -1.423 -17.790 5.259 1.00 62.30 C ATOM 442 CD ARG A 32 -2.254 -19.079 5.135 1.00 51.24 C ATOM 443 NE ARG A 32 -3.528 -18.756 4.388 1.00 72.21 N ATOM 444 CZ ARG A 32 -3.799 -19.236 3.117 1.00 45.35 C ATOM 445 NH1 ARG A 32 -2.875 -19.955 2.410 1.00 61.44 N ATOM 446 NH2 ARG A 32 -5.013 -18.982 2.559 1.00 21.13 N ATOM 0 H ARG A 32 -1.705 -14.969 4.660 1.00 40.12 H new ATOM 0 HA ARG A 32 0.814 -16.272 4.781 1.00 13.32 H new ATOM 0 HB2 ARG A 32 -1.738 -17.000 3.279 1.00 35.42 H new ATOM 0 HB3 ARG A 32 -0.339 -18.046 3.414 1.00 35.42 H new ATOM 0 HG2 ARG A 32 -0.579 -17.977 5.923 1.00 62.30 H new ATOM 0 HG3 ARG A 32 -2.034 -17.020 5.730 1.00 62.30 H new ATOM 0 HD2 ARG A 32 -1.688 -19.846 4.606 1.00 51.24 H new ATOM 0 HD3 ARG A 32 -2.484 -19.478 6.123 1.00 51.24 H new ATOM 0 HE ARG A 32 -4.219 -18.158 4.840 1.00 72.21 H new ATOM 0 HH11 ARG A 32 -1.960 -20.150 2.817 1.00 61.44 H new ATOM 0 HH12 ARG A 32 -3.101 -20.297 1.476 1.00 61.44 H new ATOM 0 HH21 ARG A 32 -5.709 -18.445 3.076 1.00 21.13 H new ATOM 0 HH22 ARG A 32 -5.227 -19.329 1.624 1.00 21.13 H new ATOM 460 N HIS A 33 -0.229 -14.827 1.974 1.00 5.02 N ATOM 461 CA HIS A 33 0.148 -14.386 0.620 1.00 50.01 C ATOM 462 C HIS A 33 1.414 -13.553 0.703 1.00 52.22 C ATOM 463 O HIS A 33 2.091 -13.349 -0.283 1.00 22.41 O ATOM 464 CB HIS A 33 -0.956 -13.508 -0.032 1.00 31.13 C ATOM 465 CG HIS A 33 -0.573 -12.920 -1.372 1.00 40.02 C ATOM 466 ND1 HIS A 33 -0.278 -13.690 -2.456 1.00 32.23 N ATOM 467 CD2 HIS A 33 -0.432 -11.633 -1.745 1.00 42.22 C ATOM 468 CE1 HIS A 33 0.043 -12.893 -3.466 1.00 1.14 C ATOM 469 NE2 HIS A 33 -0.045 -11.634 -3.053 1.00 41.15 N ATOM 0 H HIS A 33 -1.123 -14.454 2.295 1.00 5.02 H new ATOM 0 HA HIS A 33 0.293 -15.279 0.012 1.00 50.01 H new ATOM 0 HB2 HIS A 33 -1.856 -14.110 -0.156 1.00 31.13 H new ATOM 0 HB3 HIS A 33 -1.207 -12.695 0.650 1.00 31.13 H new ATOM 0 HD2 HIS A 33 -0.595 -10.764 -1.125 1.00 42.22 H new ATOM 0 HE1 HIS A 33 0.328 -13.214 -4.457 1.00 1.14 H new ATOM 0 HE2 HIS A 33 0.145 -10.807 -3.619 1.00 41.15 H new ATOM 478 N GLY A 34 1.740 -13.072 1.924 1.00 52.45 N ATOM 479 CA GLY A 34 2.970 -12.308 2.177 1.00 5.23 C ATOM 480 C GLY A 34 2.965 -10.967 1.474 1.00 30.14 C ATOM 481 O GLY A 34 3.897 -10.191 1.631 1.00 73.45 O ATOM 0 H GLY A 34 1.159 -13.204 2.752 1.00 52.45 H new ATOM 0 HA2 GLY A 34 3.086 -12.153 3.250 1.00 5.23 H new ATOM 0 HA3 GLY A 34 3.831 -12.888 1.844 1.00 5.23 H new ATOM 485 N GLY A 35 1.914 -10.666 0.677 1.00 71.01 N ATOM 486 CA GLY A 35 1.851 -9.410 -0.052 1.00 70.41 C ATOM 487 C GLY A 35 1.608 -8.337 0.942 1.00 2.30 C ATOM 488 O GLY A 35 1.343 -8.618 2.101 1.00 52.44 O ATOM 0 H GLY A 35 1.112 -11.280 0.533 1.00 71.01 H new ATOM 0 HA2 GLY A 35 2.781 -9.231 -0.591 1.00 70.41 H new ATOM 0 HA3 GLY A 35 1.053 -9.435 -0.794 1.00 70.41 H new ATOM 492 N ILE A 36 1.705 -7.075 0.517 1.00 5.24 N ATOM 493 CA ILE A 36 1.565 -5.990 1.436 1.00 51.42 C ATOM 494 C ILE A 36 0.107 -5.638 1.419 1.00 0.31 C ATOM 495 O ILE A 36 -0.488 -5.541 0.362 1.00 12.21 O ATOM 496 CB ILE A 36 2.403 -4.774 1.038 1.00 55.21 C ATOM 497 CG1 ILE A 36 3.878 -5.182 0.785 1.00 63.31 C ATOM 498 CG2 ILE A 36 2.266 -3.682 2.110 1.00 44.20 C ATOM 499 CD1 ILE A 36 4.575 -5.832 1.994 1.00 10.25 C ATOM 0 H ILE A 36 1.878 -6.801 -0.450 1.00 5.24 H new ATOM 0 HA ILE A 36 1.918 -6.282 2.425 1.00 51.42 H new ATOM 0 HB ILE A 36 2.032 -4.364 0.099 1.00 55.21 H new ATOM 0 HG12 ILE A 36 3.911 -5.876 -0.054 1.00 63.31 H new ATOM 0 HG13 ILE A 36 4.441 -4.297 0.489 1.00 63.31 H new ATOM 0 HG21 ILE A 36 2.864 -2.816 1.826 1.00 44.20 H new ATOM 0 HG22 ILE A 36 1.220 -3.388 2.198 1.00 44.20 H new ATOM 0 HG23 ILE A 36 2.617 -4.066 3.068 1.00 44.20 H new ATOM 0 HD11 ILE A 36 5.602 -6.085 1.729 1.00 10.25 H new ATOM 0 HD12 ILE A 36 4.578 -5.134 2.831 1.00 10.25 H new ATOM 0 HD13 ILE A 36 4.040 -6.738 2.279 1.00 10.25 H new ATOM 511 N TYR A 37 -0.508 -5.489 2.591 1.00 20.32 N ATOM 512 CA TYR A 37 -1.912 -5.160 2.649 1.00 51.11 C ATOM 513 C TYR A 37 -1.984 -3.944 3.473 1.00 24.31 C ATOM 514 O TYR A 37 -1.255 -3.811 4.456 1.00 41.05 O ATOM 515 CB TYR A 37 -2.817 -6.227 3.345 1.00 22.43 C ATOM 516 CG TYR A 37 -2.870 -7.472 2.495 1.00 20.40 C ATOM 517 CD1 TYR A 37 -1.740 -8.307 2.375 1.00 12.15 C ATOM 518 CD2 TYR A 37 -4.064 -7.843 1.825 1.00 31.31 C ATOM 519 CE1 TYR A 37 -1.781 -9.468 1.591 1.00 65.34 C ATOM 520 CE2 TYR A 37 -4.111 -9.027 1.061 1.00 73.32 C ATOM 521 CZ TYR A 37 -2.962 -9.835 0.941 1.00 23.02 C ATOM 522 OH TYR A 37 -2.997 -11.023 0.185 1.00 52.21 O ATOM 0 H TYR A 37 -0.053 -5.592 3.498 1.00 20.32 H new ATOM 0 HA TYR A 37 -2.277 -5.071 1.626 1.00 51.11 H new ATOM 0 HB2 TYR A 37 -2.423 -6.465 4.333 1.00 22.43 H new ATOM 0 HB3 TYR A 37 -3.821 -5.829 3.489 1.00 22.43 H new ATOM 0 HD1 TYR A 37 -0.830 -8.048 2.895 1.00 12.15 H new ATOM 0 HD2 TYR A 37 -4.940 -7.216 1.900 1.00 31.31 H new ATOM 0 HE1 TYR A 37 -0.897 -10.081 1.489 1.00 65.34 H new ATOM 0 HE2 TYR A 37 -5.027 -9.315 0.568 1.00 73.32 H new ATOM 0 HH TYR A 37 -3.890 -11.138 -0.203 1.00 52.21 H new ATOM 532 N VAL A 38 -2.858 -3.004 3.092 1.00 14.03 N ATOM 533 CA VAL A 38 -3.066 -1.820 3.878 1.00 30.10 C ATOM 534 C VAL A 38 -3.744 -2.253 5.155 1.00 33.44 C ATOM 535 O VAL A 38 -4.679 -3.066 5.133 1.00 34.12 O ATOM 536 CB VAL A 38 -3.900 -0.767 3.173 1.00 11.40 C ATOM 537 CG1 VAL A 38 -3.977 0.492 4.060 1.00 34.43 C ATOM 538 CG2 VAL A 38 -3.250 -0.487 1.799 1.00 71.33 C ATOM 0 H VAL A 38 -3.423 -3.056 2.244 1.00 14.03 H new ATOM 0 HA VAL A 38 -2.101 -1.349 4.065 1.00 30.10 H new ATOM 0 HB VAL A 38 -4.923 -1.104 3.005 1.00 11.40 H new ATOM 0 HG11 VAL A 38 -4.575 1.254 3.560 1.00 34.43 H new ATOM 0 HG12 VAL A 38 -4.438 0.237 5.014 1.00 34.43 H new ATOM 0 HG13 VAL A 38 -2.972 0.876 4.234 1.00 34.43 H new ATOM 0 HG21 VAL A 38 -3.830 0.268 1.269 1.00 71.33 H new ATOM 0 HG22 VAL A 38 -2.232 -0.126 1.945 1.00 71.33 H new ATOM 0 HG23 VAL A 38 -3.229 -1.406 1.213 1.00 71.33 H new ATOM 548 N LYS A 39 -3.229 -1.761 6.292 1.00 1.21 N ATOM 549 CA LYS A 39 -3.650 -2.237 7.579 1.00 22.35 C ATOM 550 C LYS A 39 -4.506 -1.182 8.182 1.00 1.31 C ATOM 551 O LYS A 39 -5.562 -1.463 8.733 1.00 13.35 O ATOM 552 CB LYS A 39 -2.453 -2.454 8.540 1.00 22.03 C ATOM 553 CG LYS A 39 -2.861 -3.067 9.895 1.00 50.14 C ATOM 554 CD LYS A 39 -1.696 -3.295 10.865 1.00 13.44 C ATOM 555 CE LYS A 39 -1.050 -1.995 11.393 1.00 0.33 C ATOM 556 NZ LYS A 39 -0.023 -2.302 12.402 1.00 13.43 N ATOM 0 H LYS A 39 -2.518 -1.030 6.325 1.00 1.21 H new ATOM 0 HA LYS A 39 -4.166 -3.187 7.443 1.00 22.35 H new ATOM 0 HB2 LYS A 39 -1.724 -3.106 8.059 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -1.959 -1.498 8.716 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -3.591 -2.412 10.371 1.00 50.14 H new ATOM 0 HG3 LYS A 39 -3.358 -4.020 9.714 1.00 50.14 H new ATOM 0 HD2 LYS A 39 -2.052 -3.881 11.712 1.00 13.44 H new ATOM 0 HD3 LYS A 39 -0.932 -3.890 10.365 1.00 13.44 H new ATOM 0 HE2 LYS A 39 -0.603 -1.443 10.567 1.00 0.33 H new ATOM 0 HE3 LYS A 39 -1.815 -1.353 11.828 1.00 0.33 H new ATOM 0 HZ1 LYS A 39 0.401 -1.417 12.746 1.00 13.43 H new ATOM 0 HZ2 LYS A 39 -0.459 -2.810 13.198 1.00 13.43 H new ATOM 0 HZ3 LYS A 39 0.716 -2.897 11.975 1.00 13.43 H new ATOM 570 N ALA A 40 -4.040 0.062 8.108 1.00 2.30 N ATOM 571 CA ALA A 40 -4.711 1.136 8.773 1.00 21.34 C ATOM 572 C ALA A 40 -4.672 2.260 7.842 1.00 20.13 C ATOM 573 O ALA A 40 -3.694 2.425 7.105 1.00 20.51 O ATOM 574 CB ALA A 40 -4.019 1.600 10.076 1.00 43.34 C ATOM 0 H ALA A 40 -3.203 0.334 7.593 1.00 2.30 H new ATOM 0 HA ALA A 40 -5.710 0.798 9.048 1.00 21.34 H new ATOM 0 HB1 ALA A 40 -4.589 2.416 10.520 1.00 43.34 H new ATOM 0 HB2 ALA A 40 -3.970 0.768 10.778 1.00 43.34 H new ATOM 0 HB3 ALA A 40 -3.010 1.943 9.850 1.00 43.34 H new ATOM 580 N VAL A 41 -5.746 3.048 7.835 1.00 62.44 N ATOM 581 CA VAL A 41 -5.792 4.237 7.065 1.00 43.25 C ATOM 582 C VAL A 41 -6.326 5.279 8.009 1.00 74.33 C ATOM 583 O VAL A 41 -7.341 5.068 8.672 1.00 72.20 O ATOM 584 CB VAL A 41 -6.725 4.139 5.854 1.00 24.02 C ATOM 585 CG1 VAL A 41 -6.667 5.457 5.064 1.00 4.23 C ATOM 586 CG2 VAL A 41 -6.291 2.929 5.004 1.00 54.02 C ATOM 0 H VAL A 41 -6.594 2.859 8.370 1.00 62.44 H new ATOM 0 HA VAL A 41 -4.804 4.460 6.662 1.00 43.25 H new ATOM 0 HB VAL A 41 -7.760 3.987 6.160 1.00 24.02 H new ATOM 0 HG11 VAL A 41 -7.329 5.393 4.201 1.00 4.23 H new ATOM 0 HG12 VAL A 41 -6.985 6.280 5.705 1.00 4.23 H new ATOM 0 HG13 VAL A 41 -5.646 5.634 4.726 1.00 4.23 H new ATOM 0 HG21 VAL A 41 -6.944 2.842 4.135 1.00 54.02 H new ATOM 0 HG22 VAL A 41 -5.262 3.068 4.672 1.00 54.02 H new ATOM 0 HG23 VAL A 41 -6.360 2.021 5.602 1.00 54.02 H new ATOM 596 N ILE A 42 -5.637 6.416 8.096 1.00 45.54 N ATOM 597 CA ILE A 42 -6.110 7.526 8.899 1.00 22.43 C ATOM 598 C ILE A 42 -7.265 8.149 8.122 1.00 40.53 C ATOM 599 O ILE A 42 -7.190 8.296 6.896 1.00 42.52 O ATOM 600 CB ILE A 42 -5.026 8.561 9.144 1.00 33.51 C ATOM 601 CG1 ILE A 42 -4.014 7.970 10.145 1.00 12.42 C ATOM 602 CG2 ILE A 42 -5.637 9.912 9.627 1.00 64.32 C ATOM 603 CD1 ILE A 42 -3.082 9.012 10.713 1.00 72.40 C ATOM 0 H ILE A 42 -4.752 6.586 7.619 1.00 45.54 H new ATOM 0 HA ILE A 42 -6.418 7.172 9.883 1.00 22.43 H new ATOM 0 HB ILE A 42 -4.504 8.792 8.216 1.00 33.51 H new ATOM 0 HG12 ILE A 42 -4.554 7.488 10.960 1.00 12.42 H new ATOM 0 HG13 ILE A 42 -3.428 7.196 9.649 1.00 12.42 H new ATOM 0 HG21 ILE A 42 -4.837 10.634 9.794 1.00 64.32 H new ATOM 0 HG22 ILE A 42 -6.319 10.295 8.868 1.00 64.32 H new ATOM 0 HG23 ILE A 42 -6.183 9.753 10.557 1.00 64.32 H new ATOM 0 HD11 ILE A 42 -2.391 8.540 11.412 1.00 72.40 H new ATOM 0 HD12 ILE A 42 -2.519 9.476 9.904 1.00 72.40 H new ATOM 0 HD13 ILE A 42 -3.662 9.773 11.235 1.00 72.40 H new ATOM 615 N PRO A 43 -8.355 8.536 8.840 1.00 14.03 N ATOM 616 CA PRO A 43 -9.465 9.260 8.248 1.00 23.14 C ATOM 617 C PRO A 43 -8.938 10.569 7.705 1.00 3.24 C ATOM 618 O PRO A 43 -8.543 11.432 8.489 1.00 24.42 O ATOM 619 CB PRO A 43 -10.475 9.467 9.400 1.00 25.54 C ATOM 620 CG PRO A 43 -9.637 9.298 10.686 1.00 3.50 C ATOM 621 CD PRO A 43 -8.553 8.293 10.276 1.00 4.12 C ATOM 0 HA PRO A 43 -9.945 8.738 7.420 1.00 23.14 H new ATOM 0 HB2 PRO A 43 -10.934 10.455 9.353 1.00 25.54 H new ATOM 0 HB3 PRO A 43 -11.283 8.737 9.355 1.00 25.54 H new ATOM 0 HG2 PRO A 43 -9.205 10.244 11.011 1.00 3.50 H new ATOM 0 HG3 PRO A 43 -10.241 8.923 11.512 1.00 3.50 H new ATOM 0 HD2 PRO A 43 -7.632 8.451 10.837 1.00 4.12 H new ATOM 0 HD3 PRO A 43 -8.870 7.267 10.466 1.00 4.12 H new ATOM 629 N GLN A 44 -8.917 10.692 6.372 1.00 11.42 N ATOM 630 CA GLN A 44 -8.397 11.848 5.678 1.00 45.34 C ATOM 631 C GLN A 44 -6.891 11.925 5.790 1.00 53.05 C ATOM 632 O GLN A 44 -6.305 13.002 5.613 1.00 22.34 O ATOM 633 CB GLN A 44 -9.031 13.201 6.053 1.00 2.44 C ATOM 634 CG GLN A 44 -10.549 13.214 5.865 1.00 50.13 C ATOM 635 CD GLN A 44 -11.013 14.646 5.987 1.00 71.42 C ATOM 636 OE1 GLN A 44 -10.811 15.450 5.068 1.00 61.24 O ATOM 637 NE2 GLN A 44 -11.627 14.989 7.114 1.00 60.12 N ATOM 0 H GLN A 44 -9.271 9.970 5.745 1.00 11.42 H new ATOM 0 HA GLN A 44 -8.689 11.680 4.641 1.00 45.34 H new ATOM 0 HB2 GLN A 44 -8.796 13.432 7.092 1.00 2.44 H new ATOM 0 HB3 GLN A 44 -8.587 13.987 5.443 1.00 2.44 H new ATOM 0 HG2 GLN A 44 -10.817 12.806 4.890 1.00 50.13 H new ATOM 0 HG3 GLN A 44 -11.033 12.590 6.616 1.00 50.13 H new ATOM 0 HE21 GLN A 44 -11.773 14.295 7.847 1.00 60.12 H new ATOM 0 HE22 GLN A 44 -11.952 15.947 7.247 1.00 60.12 H new ATOM 646 N GLY A 45 -6.209 10.770 5.995 1.00 53.50 N ATOM 647 CA GLY A 45 -4.785 10.707 5.732 1.00 43.10 C ATOM 648 C GLY A 45 -4.632 10.649 4.227 1.00 4.05 C ATOM 649 O GLY A 45 -5.614 10.781 3.481 1.00 54.52 O ATOM 0 H GLY A 45 -6.625 9.902 6.333 1.00 53.50 H new ATOM 0 HA2 GLY A 45 -4.275 11.579 6.141 1.00 43.10 H new ATOM 0 HA3 GLY A 45 -4.341 9.829 6.202 1.00 43.10 H new ATOM 653 N ALA A 46 -3.391 10.453 3.743 1.00 52.45 N ATOM 654 CA ALA A 46 -3.080 10.557 2.319 1.00 1.14 C ATOM 655 C ALA A 46 -3.904 9.561 1.533 1.00 35.12 C ATOM 656 O ALA A 46 -4.529 9.916 0.548 1.00 3.45 O ATOM 657 CB ALA A 46 -1.571 10.302 2.008 1.00 41.40 C ATOM 0 H ALA A 46 -2.588 10.221 4.328 1.00 52.45 H new ATOM 0 HA ALA A 46 -3.319 11.579 2.026 1.00 1.14 H new ATOM 0 HB1 ALA A 46 -1.400 10.393 0.935 1.00 41.40 H new ATOM 0 HB2 ALA A 46 -0.962 11.036 2.536 1.00 41.40 H new ATOM 0 HB3 ALA A 46 -1.296 9.299 2.336 1.00 41.40 H new ATOM 663 N ALA A 47 -3.918 8.278 1.975 1.00 62.24 N ATOM 664 CA ALA A 47 -4.591 7.208 1.213 1.00 75.24 C ATOM 665 C ALA A 47 -6.073 7.500 1.101 1.00 4.51 C ATOM 666 O ALA A 47 -6.640 7.412 0.027 1.00 51.34 O ATOM 667 CB ALA A 47 -4.443 5.810 1.851 1.00 13.21 C ATOM 0 H ALA A 47 -3.477 7.968 2.841 1.00 62.24 H new ATOM 0 HA ALA A 47 -4.105 7.194 0.238 1.00 75.24 H new ATOM 0 HB1 ALA A 47 -4.962 5.073 1.238 1.00 13.21 H new ATOM 0 HB2 ALA A 47 -3.387 5.549 1.915 1.00 13.21 H new ATOM 0 HB3 ALA A 47 -4.876 5.819 2.851 1.00 13.21 H new ATOM 673 N GLU A 48 -6.729 7.842 2.237 1.00 31.23 N ATOM 674 CA GLU A 48 -8.190 7.990 2.245 1.00 34.44 C ATOM 675 C GLU A 48 -8.573 9.226 1.460 1.00 2.34 C ATOM 676 O GLU A 48 -9.629 9.275 0.830 1.00 60.40 O ATOM 677 CB GLU A 48 -8.836 8.106 3.645 1.00 1.33 C ATOM 678 CG GLU A 48 -10.331 7.714 3.627 1.00 31.23 C ATOM 679 CD GLU A 48 -10.960 8.147 4.914 1.00 14.14 C ATOM 680 OE1 GLU A 48 -11.155 9.375 5.080 1.00 14.04 O ATOM 681 OE2 GLU A 48 -11.275 7.280 5.756 1.00 13.32 O ATOM 0 H GLU A 48 -6.276 8.015 3.134 1.00 31.23 H new ATOM 0 HA GLU A 48 -8.567 7.069 1.801 1.00 34.44 H new ATOM 0 HB2 GLU A 48 -8.301 7.464 4.345 1.00 1.33 H new ATOM 0 HB3 GLU A 48 -8.734 9.129 4.008 1.00 1.33 H new ATOM 0 HG2 GLU A 48 -10.835 8.186 2.783 1.00 31.23 H new ATOM 0 HG3 GLU A 48 -10.437 6.637 3.499 1.00 31.23 H new ATOM 688 N SER A 49 -7.728 10.277 1.524 1.00 14.03 N ATOM 689 CA SER A 49 -8.017 11.528 0.839 1.00 51.31 C ATOM 690 C SER A 49 -7.931 11.261 -0.655 1.00 3.25 C ATOM 691 O SER A 49 -8.753 11.738 -1.443 1.00 72.22 O ATOM 692 CB SER A 49 -7.009 12.650 1.226 1.00 44.33 C ATOM 693 OG SER A 49 -7.450 13.932 0.774 1.00 31.33 O ATOM 0 H SER A 49 -6.850 10.272 2.042 1.00 14.03 H new ATOM 0 HA SER A 49 -9.009 11.874 1.129 1.00 51.31 H new ATOM 0 HB2 SER A 49 -6.883 12.669 2.308 1.00 44.33 H new ATOM 0 HB3 SER A 49 -6.033 12.428 0.795 1.00 44.33 H new ATOM 0 HG SER A 49 -6.796 14.614 1.034 1.00 31.33 H new ATOM 699 N ASP A 50 -6.935 10.445 -1.058 1.00 41.34 N ATOM 700 CA ASP A 50 -6.788 10.080 -2.470 1.00 31.43 C ATOM 701 C ASP A 50 -7.968 9.208 -2.852 1.00 54.31 C ATOM 702 O ASP A 50 -8.483 9.282 -3.960 1.00 12.31 O ATOM 703 CB ASP A 50 -5.483 9.328 -2.800 1.00 10.24 C ATOM 704 CG ASP A 50 -5.289 9.359 -4.307 1.00 13.44 C ATOM 705 OD1 ASP A 50 -5.263 10.480 -4.878 1.00 55.12 O ATOM 706 OD2 ASP A 50 -5.150 8.295 -4.923 1.00 52.31 O ATOM 0 H ASP A 50 -6.237 10.037 -0.436 1.00 41.34 H new ATOM 0 HA ASP A 50 -6.751 11.010 -3.038 1.00 31.43 H new ATOM 0 HB2 ASP A 50 -4.636 9.796 -2.297 1.00 10.24 H new ATOM 0 HB3 ASP A 50 -5.536 8.299 -2.444 1.00 10.24 H new ATOM 711 N GLY A 51 -8.454 8.413 -1.885 1.00 72.33 N ATOM 712 CA GLY A 51 -9.721 7.691 -2.032 1.00 44.43 C ATOM 713 C GLY A 51 -9.523 6.410 -2.777 1.00 22.01 C ATOM 714 O GLY A 51 -10.307 5.481 -2.636 1.00 45.34 O ATOM 0 H GLY A 51 -7.985 8.256 -0.993 1.00 72.33 H new ATOM 0 HA2 GLY A 51 -10.141 7.483 -1.048 1.00 44.43 H new ATOM 0 HA3 GLY A 51 -10.441 8.316 -2.560 1.00 44.43 H new ATOM 718 N ARG A 52 -8.490 6.346 -3.619 1.00 1.21 N ATOM 719 CA ARG A 52 -8.292 5.201 -4.478 1.00 70.13 C ATOM 720 C ARG A 52 -7.895 4.020 -3.621 1.00 74.51 C ATOM 721 O ARG A 52 -8.341 2.897 -3.848 1.00 74.02 O ATOM 722 CB ARG A 52 -7.184 5.422 -5.532 1.00 74.21 C ATOM 723 CG ARG A 52 -7.322 6.716 -6.380 1.00 61.44 C ATOM 724 CD ARG A 52 -8.498 6.759 -7.377 1.00 71.32 C ATOM 725 NE ARG A 52 -9.774 7.086 -6.636 1.00 13.02 N ATOM 726 CZ ARG A 52 -10.909 6.294 -6.737 1.00 22.24 C ATOM 727 NH1 ARG A 52 -10.860 5.063 -7.343 1.00 55.21 N ATOM 728 NH2 ARG A 52 -12.084 6.749 -6.224 1.00 11.35 N ATOM 0 H ARG A 52 -7.785 7.077 -3.717 1.00 1.21 H new ATOM 0 HA ARG A 52 -9.228 5.029 -5.010 1.00 70.13 H new ATOM 0 HB2 ARG A 52 -6.220 5.442 -5.023 1.00 74.21 H new ATOM 0 HB3 ARG A 52 -7.171 4.565 -6.206 1.00 74.21 H new ATOM 0 HG2 ARG A 52 -7.420 7.562 -5.700 1.00 61.44 H new ATOM 0 HG3 ARG A 52 -6.396 6.860 -6.937 1.00 61.44 H new ATOM 0 HD2 ARG A 52 -8.309 7.508 -8.146 1.00 71.32 H new ATOM 0 HD3 ARG A 52 -8.595 5.799 -7.884 1.00 71.32 H new ATOM 0 HE ARG A 52 -9.802 7.915 -6.043 1.00 13.02 H new ATOM 0 HH11 ARG A 52 -9.980 4.718 -7.727 1.00 55.21 H new ATOM 0 HH12 ARG A 52 -11.703 4.493 -7.409 1.00 55.21 H new ATOM 0 HH21 ARG A 52 -12.123 7.662 -5.772 1.00 11.35 H new ATOM 0 HH22 ARG A 52 -12.926 6.177 -6.292 1.00 11.35 H new ATOM 742 N ILE A 53 -7.046 4.276 -2.617 1.00 43.03 N ATOM 743 CA ILE A 53 -6.532 3.221 -1.785 1.00 54.53 C ATOM 744 C ILE A 53 -7.383 3.225 -0.538 1.00 10.13 C ATOM 745 O ILE A 53 -7.742 4.294 -0.021 1.00 5.03 O ATOM 746 CB ILE A 53 -5.068 3.441 -1.411 1.00 55.44 C ATOM 747 CG1 ILE A 53 -4.239 3.669 -2.699 1.00 73.34 C ATOM 748 CG2 ILE A 53 -4.562 2.237 -0.574 1.00 23.33 C ATOM 749 CD1 ILE A 53 -2.750 3.875 -2.444 1.00 41.22 C ATOM 0 H ILE A 53 -6.711 5.208 -2.375 1.00 43.03 H new ATOM 0 HA ILE A 53 -6.573 2.270 -2.317 1.00 54.53 H new ATOM 0 HB ILE A 53 -4.956 4.331 -0.792 1.00 55.44 H new ATOM 0 HG12 ILE A 53 -4.370 2.813 -3.360 1.00 73.34 H new ATOM 0 HG13 ILE A 53 -4.632 4.540 -3.224 1.00 73.34 H new ATOM 0 HG21 ILE A 53 -3.517 2.393 -0.307 1.00 23.33 H new ATOM 0 HG22 ILE A 53 -5.159 2.148 0.333 1.00 23.33 H new ATOM 0 HG23 ILE A 53 -4.654 1.322 -1.160 1.00 23.33 H new ATOM 0 HD11 ILE A 53 -2.236 4.028 -3.393 1.00 41.22 H new ATOM 0 HD12 ILE A 53 -2.607 4.749 -1.809 1.00 41.22 H new ATOM 0 HD13 ILE A 53 -2.341 2.995 -1.948 1.00 41.22 H new ATOM 761 N HIS A 54 -7.753 2.033 -0.044 1.00 23.44 N ATOM 762 CA HIS A 54 -8.539 1.933 1.156 1.00 22.01 C ATOM 763 C HIS A 54 -7.920 0.864 2.001 1.00 12.32 C ATOM 764 O HIS A 54 -6.978 0.201 1.592 1.00 14.14 O ATOM 765 CB HIS A 54 -10.037 1.586 0.893 1.00 2.24 C ATOM 766 CG HIS A 54 -10.277 0.346 0.049 1.00 51.01 C ATOM 767 ND1 HIS A 54 -10.336 -0.910 0.578 1.00 31.02 N ATOM 768 CD2 HIS A 54 -10.537 0.231 -1.265 1.00 60.51 C ATOM 769 CE1 HIS A 54 -10.631 -1.764 -0.379 1.00 61.11 C ATOM 770 NE2 HIS A 54 -10.760 -1.095 -1.514 1.00 20.23 N ATOM 0 H HIS A 54 -7.512 1.138 -0.469 1.00 23.44 H new ATOM 0 HA HIS A 54 -8.539 2.906 1.648 1.00 22.01 H new ATOM 0 HB2 HIS A 54 -10.536 1.454 1.853 1.00 2.24 H new ATOM 0 HB3 HIS A 54 -10.509 2.437 0.402 1.00 2.24 H new ATOM 0 HD1 HIS A 54 -10.177 -1.149 1.557 1.00 31.02 H new ATOM 0 HD2 HIS A 54 -10.565 1.034 -1.987 1.00 60.51 H new ATOM 0 HE1 HIS A 54 -10.748 -2.831 -0.259 1.00 61.11 H new ATOM 779 N LYS A 55 -8.439 0.682 3.242 1.00 3.02 N ATOM 780 CA LYS A 55 -7.979 -0.402 4.109 1.00 10.21 C ATOM 781 C LYS A 55 -8.410 -1.666 3.439 1.00 1.45 C ATOM 782 O LYS A 55 -9.508 -1.725 2.916 1.00 52.15 O ATOM 783 CB LYS A 55 -8.607 -0.326 5.550 1.00 73.14 C ATOM 784 CG LYS A 55 -8.338 -1.531 6.501 1.00 73.23 C ATOM 785 CD LYS A 55 -9.309 -2.722 6.304 1.00 42.44 C ATOM 786 CE LYS A 55 -9.162 -3.834 7.352 1.00 44.22 C ATOM 787 NZ LYS A 55 -10.099 -4.937 7.055 1.00 15.51 N ATOM 0 H LYS A 55 -9.166 1.270 3.649 1.00 3.02 H new ATOM 0 HA LYS A 55 -6.899 -0.341 4.244 1.00 10.21 H new ATOM 0 HB2 LYS A 55 -8.237 0.578 6.034 1.00 73.14 H new ATOM 0 HB3 LYS A 55 -9.686 -0.212 5.444 1.00 73.14 H new ATOM 0 HG2 LYS A 55 -7.317 -1.880 6.348 1.00 73.23 H new ATOM 0 HG3 LYS A 55 -8.406 -1.188 7.533 1.00 73.23 H new ATOM 0 HD2 LYS A 55 -10.333 -2.349 6.328 1.00 42.44 H new ATOM 0 HD3 LYS A 55 -9.148 -3.148 5.314 1.00 42.44 H new ATOM 0 HE2 LYS A 55 -8.138 -4.207 7.357 1.00 44.22 H new ATOM 0 HE3 LYS A 55 -9.360 -3.436 8.347 1.00 44.22 H new ATOM 0 HZ1 LYS A 55 -9.992 -5.685 7.770 1.00 15.51 H new ATOM 0 HZ2 LYS A 55 -11.075 -4.578 7.073 1.00 15.51 H new ATOM 0 HZ3 LYS A 55 -9.890 -5.326 6.113 1.00 15.51 H new ATOM 801 N GLY A 56 -7.560 -2.710 3.425 1.00 34.31 N ATOM 802 CA GLY A 56 -7.944 -3.945 2.769 1.00 22.33 C ATOM 803 C GLY A 56 -7.356 -3.975 1.395 1.00 14.25 C ATOM 804 O GLY A 56 -7.484 -4.975 0.695 1.00 40.52 O ATOM 0 H GLY A 56 -6.633 -2.713 3.850 1.00 34.31 H new ATOM 0 HA2 GLY A 56 -7.594 -4.801 3.346 1.00 22.33 H new ATOM 0 HA3 GLY A 56 -9.030 -4.019 2.714 1.00 22.33 H new ATOM 808 N ASP A 57 -6.688 -2.871 0.964 1.00 54.23 N ATOM 809 CA ASP A 57 -6.063 -2.852 -0.358 1.00 24.02 C ATOM 810 C ASP A 57 -4.829 -3.668 -0.276 1.00 2.44 C ATOM 811 O ASP A 57 -4.235 -3.803 0.792 1.00 14.12 O ATOM 812 CB ASP A 57 -5.647 -1.440 -0.863 1.00 20.44 C ATOM 813 CG ASP A 57 -6.611 -1.000 -1.940 1.00 15.34 C ATOM 814 OD1 ASP A 57 -6.585 -1.591 -3.053 1.00 73.42 O ATOM 815 OD2 ASP A 57 -7.402 -0.070 -1.689 1.00 12.34 O ATOM 0 H ASP A 57 -6.578 -2.013 1.505 1.00 54.23 H new ATOM 0 HA ASP A 57 -6.806 -3.232 -1.059 1.00 24.02 H new ATOM 0 HB2 ASP A 57 -5.654 -0.728 -0.038 1.00 20.44 H new ATOM 0 HB3 ASP A 57 -4.630 -1.465 -1.255 1.00 20.44 H new ATOM 820 N ARG A 58 -4.419 -4.241 -1.419 1.00 41.44 N ATOM 821 CA ARG A 58 -3.235 -5.048 -1.469 1.00 21.03 C ATOM 822 C ARG A 58 -2.273 -4.277 -2.308 1.00 51.42 C ATOM 823 O ARG A 58 -2.576 -3.944 -3.445 1.00 31.13 O ATOM 824 CB ARG A 58 -3.450 -6.421 -2.164 1.00 5.14 C ATOM 825 CG ARG A 58 -2.190 -7.307 -2.166 1.00 30.40 C ATOM 826 CD ARG A 58 -2.287 -8.511 -3.100 1.00 71.21 C ATOM 827 NE ARG A 58 -3.413 -9.395 -2.655 1.00 20.24 N ATOM 828 CZ ARG A 58 -3.728 -10.543 -3.363 1.00 34.42 C ATOM 829 NH1 ARG A 58 -3.083 -10.839 -4.527 1.00 22.01 N ATOM 830 NH2 ARG A 58 -4.685 -11.378 -2.902 1.00 41.34 N ATOM 0 H ARG A 58 -4.905 -4.148 -2.311 1.00 41.44 H new ATOM 0 HA ARG A 58 -2.902 -5.253 -0.452 1.00 21.03 H new ATOM 0 HB2 ARG A 58 -4.258 -6.952 -1.661 1.00 5.14 H new ATOM 0 HB3 ARG A 58 -3.770 -6.254 -3.193 1.00 5.14 H new ATOM 0 HG2 ARG A 58 -1.331 -6.701 -2.456 1.00 30.40 H new ATOM 0 HG3 ARG A 58 -2.003 -7.659 -1.152 1.00 30.40 H new ATOM 0 HD2 ARG A 58 -2.454 -8.178 -4.124 1.00 71.21 H new ATOM 0 HD3 ARG A 58 -1.349 -9.067 -3.094 1.00 71.21 H new ATOM 0 HE ARG A 58 -3.951 -9.149 -1.824 1.00 20.24 H new ATOM 0 HH11 ARG A 58 -2.361 -10.213 -4.884 1.00 22.01 H new ATOM 0 HH12 ARG A 58 -3.322 -11.687 -5.041 1.00 22.01 H new ATOM 0 HH21 ARG A 58 -5.175 -11.163 -2.033 1.00 41.34 H new ATOM 0 HH22 ARG A 58 -4.918 -12.224 -3.423 1.00 41.34 H new ATOM 844 N VAL A 59 -1.092 -3.989 -1.769 1.00 51.00 N ATOM 845 CA VAL A 59 -0.087 -3.284 -2.495 1.00 24.44 C ATOM 846 C VAL A 59 0.922 -4.335 -2.871 1.00 70.14 C ATOM 847 O VAL A 59 1.215 -5.237 -2.080 1.00 62.34 O ATOM 848 CB VAL A 59 0.606 -2.199 -1.658 1.00 65.14 C ATOM 849 CG1 VAL A 59 1.563 -1.375 -2.561 1.00 34.43 C ATOM 850 CG2 VAL A 59 -0.490 -1.329 -0.996 1.00 52.02 C ATOM 0 H VAL A 59 -0.823 -4.245 -0.819 1.00 51.00 H new ATOM 0 HA VAL A 59 -0.529 -2.769 -3.348 1.00 24.44 H new ATOM 0 HB VAL A 59 1.219 -2.635 -0.869 1.00 65.14 H new ATOM 0 HG11 VAL A 59 2.054 -0.606 -1.965 1.00 34.43 H new ATOM 0 HG12 VAL A 59 2.316 -2.035 -2.991 1.00 34.43 H new ATOM 0 HG13 VAL A 59 0.993 -0.905 -3.362 1.00 34.43 H new ATOM 0 HG21 VAL A 59 -0.022 -0.549 -0.395 1.00 52.02 H new ATOM 0 HG22 VAL A 59 -1.107 -0.870 -1.769 1.00 52.02 H new ATOM 0 HG23 VAL A 59 -1.114 -1.954 -0.357 1.00 52.02 H new ATOM 860 N LEU A 60 1.456 -4.261 -4.093 1.00 75.20 N ATOM 861 CA LEU A 60 2.494 -5.197 -4.489 1.00 75.03 C ATOM 862 C LEU A 60 3.781 -4.437 -4.517 1.00 35.11 C ATOM 863 O LEU A 60 4.764 -4.830 -3.882 1.00 22.24 O ATOM 864 CB LEU A 60 2.295 -5.891 -5.885 1.00 35.21 C ATOM 865 CG LEU A 60 1.740 -5.001 -7.021 1.00 12.34 C ATOM 866 CD1 LEU A 60 2.311 -5.383 -8.381 1.00 42.21 C ATOM 867 CD2 LEU A 60 0.228 -4.991 -7.049 1.00 12.32 C ATOM 0 H LEU A 60 1.191 -3.579 -4.804 1.00 75.20 H new ATOM 0 HA LEU A 60 2.471 -6.010 -3.764 1.00 75.03 H new ATOM 0 HB2 LEU A 60 3.255 -6.295 -6.206 1.00 35.21 H new ATOM 0 HB3 LEU A 60 1.621 -6.737 -5.753 1.00 35.21 H new ATOM 0 HG LEU A 60 2.070 -3.985 -6.802 1.00 12.34 H new ATOM 0 HD11 LEU A 60 1.892 -4.731 -9.148 1.00 42.21 H new ATOM 0 HD12 LEU A 60 3.395 -5.274 -8.364 1.00 42.21 H new ATOM 0 HD13 LEU A 60 2.054 -6.418 -8.606 1.00 42.21 H new ATOM 0 HD21 LEU A 60 -0.117 -4.353 -7.863 1.00 12.32 H new ATOM 0 HD22 LEU A 60 -0.140 -6.006 -7.203 1.00 12.32 H new ATOM 0 HD23 LEU A 60 -0.151 -4.607 -6.102 1.00 12.32 H new ATOM 879 N ALA A 61 3.801 -3.343 -5.286 1.00 53.35 N ATOM 880 CA ALA A 61 5.039 -2.691 -5.586 1.00 70.52 C ATOM 881 C ALA A 61 4.911 -1.241 -5.322 1.00 52.22 C ATOM 882 O ALA A 61 3.812 -0.696 -5.157 1.00 34.21 O ATOM 883 CB ALA A 61 5.468 -2.856 -7.062 1.00 72.20 C ATOM 0 H ALA A 61 2.975 -2.910 -5.698 1.00 53.35 H new ATOM 0 HA ALA A 61 5.793 -3.158 -4.952 1.00 70.52 H new ATOM 0 HB1 ALA A 61 6.414 -2.339 -7.226 1.00 72.20 H new ATOM 0 HB2 ALA A 61 5.589 -3.915 -7.290 1.00 72.20 H new ATOM 0 HB3 ALA A 61 4.704 -2.430 -7.713 1.00 72.20 H new ATOM 889 N VAL A 62 6.085 -0.607 -5.271 1.00 65.22 N ATOM 890 CA VAL A 62 6.217 0.780 -4.999 1.00 3.43 C ATOM 891 C VAL A 62 7.250 1.269 -5.963 1.00 13.43 C ATOM 892 O VAL A 62 8.417 0.943 -5.850 1.00 0.22 O ATOM 893 CB VAL A 62 6.687 1.088 -3.580 1.00 1.00 C ATOM 894 CG1 VAL A 62 6.764 2.626 -3.393 1.00 70.21 C ATOM 895 CG2 VAL A 62 5.710 0.406 -2.598 1.00 24.33 C ATOM 0 H VAL A 62 6.977 -1.078 -5.425 1.00 65.22 H new ATOM 0 HA VAL A 62 5.244 1.261 -5.099 1.00 3.43 H new ATOM 0 HB VAL A 62 7.686 0.698 -3.386 1.00 1.00 H new ATOM 0 HG11 VAL A 62 7.099 2.853 -2.381 1.00 70.21 H new ATOM 0 HG12 VAL A 62 7.469 3.045 -4.111 1.00 70.21 H new ATOM 0 HG13 VAL A 62 5.778 3.062 -3.555 1.00 70.21 H new ATOM 0 HG21 VAL A 62 6.022 0.610 -1.574 1.00 24.33 H new ATOM 0 HG22 VAL A 62 4.704 0.796 -2.755 1.00 24.33 H new ATOM 0 HG23 VAL A 62 5.713 -0.670 -2.771 1.00 24.33 H new ATOM 905 N ASN A 63 6.805 2.061 -6.941 1.00 11.15 N ATOM 906 CA ASN A 63 7.658 2.705 -7.944 1.00 14.31 C ATOM 907 C ASN A 63 8.576 1.710 -8.625 1.00 24.34 C ATOM 908 O ASN A 63 9.741 2.001 -8.887 1.00 62.23 O ATOM 909 CB ASN A 63 8.482 3.907 -7.400 1.00 21.21 C ATOM 910 CG ASN A 63 8.857 4.819 -8.577 1.00 33.20 C ATOM 911 OD1 ASN A 63 8.081 4.967 -9.532 1.00 10.24 O ATOM 912 ND2 ASN A 63 10.043 5.455 -8.522 1.00 13.52 N ATOM 0 H ASN A 63 5.816 2.278 -7.061 1.00 11.15 H new ATOM 0 HA ASN A 63 6.963 3.111 -8.679 1.00 14.31 H new ATOM 0 HB2 ASN A 63 7.901 4.461 -6.663 1.00 21.21 H new ATOM 0 HB3 ASN A 63 9.381 3.552 -6.896 1.00 21.21 H new ATOM 0 HD21 ASN A 63 10.323 6.078 -9.279 1.00 13.52 H new ATOM 0 HD22 ASN A 63 10.661 5.314 -7.723 1.00 13.52 H new ATOM 919 N GLY A 64 8.054 0.524 -8.950 1.00 33.22 N ATOM 920 CA GLY A 64 8.811 -0.435 -9.730 1.00 24.04 C ATOM 921 C GLY A 64 9.622 -1.295 -8.810 1.00 4.22 C ATOM 922 O GLY A 64 10.431 -2.100 -9.267 1.00 2.11 O ATOM 0 H GLY A 64 7.119 0.215 -8.684 1.00 33.22 H new ATOM 0 HA2 GLY A 64 8.136 -1.053 -10.322 1.00 24.04 H new ATOM 0 HA3 GLY A 64 9.465 0.085 -10.431 1.00 24.04 H new ATOM 926 N VAL A 65 9.425 -1.162 -7.486 1.00 64.32 N ATOM 927 CA VAL A 65 10.131 -2.000 -6.554 1.00 41.43 C ATOM 928 C VAL A 65 9.080 -2.878 -5.943 1.00 73.05 C ATOM 929 O VAL A 65 8.159 -2.404 -5.311 1.00 24.01 O ATOM 930 CB VAL A 65 10.856 -1.230 -5.455 1.00 23.35 C ATOM 931 CG1 VAL A 65 11.706 -2.214 -4.617 1.00 2.42 C ATOM 932 CG2 VAL A 65 11.715 -0.138 -6.128 1.00 42.00 C ATOM 0 H VAL A 65 8.789 -0.487 -7.061 1.00 64.32 H new ATOM 0 HA VAL A 65 10.914 -2.548 -7.078 1.00 41.43 H new ATOM 0 HB VAL A 65 10.156 -0.749 -4.772 1.00 23.35 H new ATOM 0 HG11 VAL A 65 12.226 -1.667 -3.830 1.00 2.42 H new ATOM 0 HG12 VAL A 65 11.056 -2.965 -4.168 1.00 2.42 H new ATOM 0 HG13 VAL A 65 12.436 -2.704 -5.261 1.00 2.42 H new ATOM 0 HG21 VAL A 65 12.246 0.430 -5.364 1.00 42.00 H new ATOM 0 HG22 VAL A 65 12.436 -0.604 -6.800 1.00 42.00 H new ATOM 0 HG23 VAL A 65 11.071 0.533 -6.696 1.00 42.00 H new ATOM 942 N SER A 66 9.205 -4.189 -6.159 1.00 53.15 N ATOM 943 CA SER A 66 8.205 -5.157 -5.716 1.00 51.12 C ATOM 944 C SER A 66 8.393 -5.477 -4.242 1.00 74.21 C ATOM 945 O SER A 66 7.813 -6.438 -3.745 1.00 73.24 O ATOM 946 CB SER A 66 8.291 -6.466 -6.518 1.00 54.22 C ATOM 947 OG SER A 66 8.215 -6.192 -7.925 1.00 34.33 O ATOM 0 H SER A 66 9.999 -4.606 -6.644 1.00 53.15 H new ATOM 0 HA SER A 66 7.227 -4.705 -5.880 1.00 51.12 H new ATOM 0 HB2 SER A 66 9.225 -6.980 -6.290 1.00 54.22 H new ATOM 0 HB3 SER A 66 7.480 -7.134 -6.226 1.00 54.22 H new ATOM 0 HG SER A 66 8.273 -7.033 -8.426 1.00 34.33 H new ATOM 953 N LEU A 67 9.183 -4.623 -3.526 1.00 14.53 N ATOM 954 CA LEU A 67 9.452 -4.723 -2.070 1.00 44.41 C ATOM 955 C LEU A 67 9.615 -6.174 -1.646 1.00 11.52 C ATOM 956 O LEU A 67 9.033 -6.609 -0.644 1.00 21.41 O ATOM 957 CB LEU A 67 8.318 -4.106 -1.199 1.00 30.45 C ATOM 958 CG LEU A 67 8.025 -2.629 -1.423 1.00 72.21 C ATOM 959 CD1 LEU A 67 6.872 -2.149 -0.515 1.00 34.33 C ATOM 960 CD2 LEU A 67 9.255 -1.771 -1.265 1.00 72.13 C ATOM 0 H LEU A 67 9.658 -3.831 -3.960 1.00 14.53 H new ATOM 0 HA LEU A 67 10.371 -4.161 -1.906 1.00 44.41 H new ATOM 0 HB2 LEU A 67 7.402 -4.668 -1.381 1.00 30.45 H new ATOM 0 HB3 LEU A 67 8.576 -4.249 -0.150 1.00 30.45 H new ATOM 0 HG LEU A 67 7.703 -2.518 -2.458 1.00 72.21 H new ATOM 0 HD11 LEU A 67 6.683 -1.091 -0.695 1.00 34.33 H new ATOM 0 HD12 LEU A 67 5.971 -2.721 -0.738 1.00 34.33 H new ATOM 0 HD13 LEU A 67 7.146 -2.296 0.530 1.00 34.33 H new ATOM 0 HD21 LEU A 67 8.994 -0.726 -1.434 1.00 72.13 H new ATOM 0 HD22 LEU A 67 9.652 -1.887 -0.257 1.00 72.13 H new ATOM 0 HD23 LEU A 67 10.009 -2.079 -1.990 1.00 72.13 H new ATOM 972 N GLU A 68 10.380 -6.962 -2.414 1.00 45.14 N ATOM 973 CA GLU A 68 10.467 -8.374 -2.142 1.00 3.52 C ATOM 974 C GLU A 68 11.350 -8.574 -0.964 1.00 13.54 C ATOM 975 O GLU A 68 12.491 -8.096 -0.933 1.00 30.23 O ATOM 976 CB GLU A 68 10.999 -9.198 -3.316 1.00 31.25 C ATOM 977 CG GLU A 68 10.045 -9.166 -4.510 1.00 20.11 C ATOM 978 CD GLU A 68 10.693 -9.878 -5.656 1.00 30.22 C ATOM 979 OE1 GLU A 68 11.696 -9.361 -6.181 1.00 25.21 O ATOM 980 OE2 GLU A 68 10.208 -10.951 -6.049 1.00 12.31 O ATOM 0 H GLU A 68 10.931 -6.640 -3.209 1.00 45.14 H new ATOM 0 HA GLU A 68 9.453 -8.727 -1.954 1.00 3.52 H new ATOM 0 HB2 GLU A 68 11.973 -8.813 -3.618 1.00 31.25 H new ATOM 0 HB3 GLU A 68 11.149 -10.230 -2.998 1.00 31.25 H new ATOM 0 HG2 GLU A 68 9.100 -9.644 -4.253 1.00 20.11 H new ATOM 0 HG3 GLU A 68 9.816 -8.136 -4.785 1.00 20.11 H new ATOM 987 N GLY A 69 10.833 -9.269 0.054 1.00 62.55 N ATOM 988 CA GLY A 69 11.637 -9.640 1.180 1.00 2.31 C ATOM 989 C GLY A 69 11.540 -8.572 2.212 1.00 74.10 C ATOM 990 O GLY A 69 12.088 -8.714 3.295 1.00 65.11 O ATOM 0 H GLY A 69 9.862 -9.577 0.104 1.00 62.55 H new ATOM 0 HA2 GLY A 69 11.297 -10.592 1.589 1.00 2.31 H new ATOM 0 HA3 GLY A 69 12.674 -9.776 0.874 1.00 2.31 H new ATOM 994 N ALA A 70 10.840 -7.454 1.908 1.00 20.14 N ATOM 995 CA ALA A 70 10.718 -6.377 2.864 1.00 54.34 C ATOM 996 C ALA A 70 9.903 -6.867 4.024 1.00 31.03 C ATOM 997 O ALA A 70 8.910 -7.550 3.838 1.00 54.24 O ATOM 998 CB ALA A 70 9.994 -5.141 2.281 1.00 22.40 C ATOM 0 H ALA A 70 10.366 -7.294 1.019 1.00 20.14 H new ATOM 0 HA ALA A 70 11.726 -6.080 3.152 1.00 54.34 H new ATOM 0 HB1 ALA A 70 9.931 -4.364 3.042 1.00 22.40 H new ATOM 0 HB2 ALA A 70 10.551 -4.764 1.423 1.00 22.40 H new ATOM 0 HB3 ALA A 70 8.989 -5.423 1.966 1.00 22.40 H new ATOM 1004 N THR A 71 10.328 -6.530 5.260 1.00 0.41 N ATOM 1005 CA THR A 71 9.547 -6.895 6.416 1.00 4.33 C ATOM 1006 C THR A 71 8.372 -5.939 6.469 1.00 43.33 C ATOM 1007 O THR A 71 8.290 -4.985 5.683 1.00 50.32 O ATOM 1008 CB THR A 71 10.316 -6.880 7.751 1.00 35.51 C ATOM 1009 OG1 THR A 71 10.824 -5.581 8.073 1.00 54.32 O ATOM 1010 CG2 THR A 71 11.478 -7.893 7.680 1.00 75.55 C ATOM 0 H THR A 71 11.188 -6.019 5.461 1.00 0.41 H new ATOM 0 HA THR A 71 9.238 -7.934 6.300 1.00 4.33 H new ATOM 0 HB THR A 71 9.617 -7.157 8.540 1.00 35.51 H new ATOM 0 HG1 THR A 71 11.663 -5.429 7.590 1.00 54.32 H new ATOM 0 HG21 THR A 71 12.025 -7.886 8.623 1.00 75.55 H new ATOM 0 HG22 THR A 71 11.080 -8.891 7.499 1.00 75.55 H new ATOM 0 HG23 THR A 71 12.151 -7.618 6.868 1.00 75.55 H new ATOM 1018 N HIS A 72 7.437 -6.176 7.407 1.00 45.13 N ATOM 1019 CA HIS A 72 6.271 -5.312 7.544 1.00 3.13 C ATOM 1020 C HIS A 72 6.762 -3.922 7.876 1.00 22.32 C ATOM 1021 O HIS A 72 6.274 -2.944 7.343 1.00 34.55 O ATOM 1022 CB HIS A 72 5.265 -5.783 8.632 1.00 71.32 C ATOM 1023 CG HIS A 72 5.779 -5.689 10.050 1.00 52.23 C ATOM 1024 ND1 HIS A 72 5.434 -4.666 10.881 1.00 2.43 N ATOM 1025 CD2 HIS A 72 6.617 -6.492 10.732 1.00 31.32 C ATOM 1026 CE1 HIS A 72 6.037 -4.847 12.041 1.00 53.33 C ATOM 1027 NE2 HIS A 72 6.770 -5.948 11.968 1.00 1.14 N ATOM 0 H HIS A 72 7.473 -6.951 8.069 1.00 45.13 H new ATOM 0 HA HIS A 72 5.725 -5.340 6.601 1.00 3.13 H new ATOM 0 HB2 HIS A 72 4.356 -5.187 8.549 1.00 71.32 H new ATOM 0 HB3 HIS A 72 4.988 -6.817 8.428 1.00 71.32 H new ATOM 0 HD2 HIS A 72 7.080 -7.397 10.366 1.00 31.32 H new ATOM 0 HE1 HIS A 72 5.948 -4.205 12.905 1.00 53.33 H new ATOM 0 HE2 HIS A 72 7.353 -6.325 12.716 1.00 1.14 H new ATOM 1036 N LYS A 73 7.808 -3.845 8.745 1.00 43.34 N ATOM 1037 CA LYS A 73 8.453 -2.594 9.091 1.00 44.32 C ATOM 1038 C LYS A 73 8.902 -1.862 7.847 1.00 31.43 C ATOM 1039 O LYS A 73 8.582 -0.704 7.693 1.00 32.24 O ATOM 1040 CB LYS A 73 9.672 -2.781 10.019 1.00 65.45 C ATOM 1041 CG LYS A 73 9.286 -3.390 11.379 1.00 54.32 C ATOM 1042 CD LYS A 73 10.473 -3.669 12.317 1.00 43.04 C ATOM 1043 CE LYS A 73 11.328 -2.434 12.664 1.00 24.33 C ATOM 1044 NZ LYS A 73 10.502 -1.338 13.222 1.00 21.32 N ATOM 0 H LYS A 73 8.210 -4.658 9.212 1.00 43.34 H new ATOM 0 HA LYS A 73 7.705 -2.011 9.628 1.00 44.32 H new ATOM 0 HB2 LYS A 73 10.402 -3.425 9.530 1.00 65.45 H new ATOM 0 HB3 LYS A 73 10.154 -1.817 10.179 1.00 65.45 H new ATOM 0 HG2 LYS A 73 8.594 -2.714 11.882 1.00 54.32 H new ATOM 0 HG3 LYS A 73 8.750 -4.323 11.205 1.00 54.32 H new ATOM 0 HD2 LYS A 73 10.093 -4.102 13.242 1.00 43.04 H new ATOM 0 HD3 LYS A 73 11.115 -4.419 11.855 1.00 43.04 H new ATOM 0 HE2 LYS A 73 12.097 -2.714 13.384 1.00 24.33 H new ATOM 0 HE3 LYS A 73 11.842 -2.084 11.769 1.00 24.33 H new ATOM 0 HZ1 LYS A 73 11.118 -0.550 13.507 1.00 21.32 H new ATOM 0 HZ2 LYS A 73 9.829 -1.009 12.501 1.00 21.32 H new ATOM 0 HZ3 LYS A 73 9.979 -1.685 14.051 1.00 21.32 H new ATOM 1058 N GLN A 74 9.645 -2.533 6.904 1.00 22.43 N ATOM 1059 CA GLN A 74 10.154 -1.812 5.721 1.00 51.41 C ATOM 1060 C GLN A 74 9.000 -1.389 4.859 1.00 53.12 C ATOM 1061 O GLN A 74 9.089 -0.388 4.189 1.00 0.51 O ATOM 1062 CB GLN A 74 11.141 -2.596 4.810 1.00 41.34 C ATOM 1063 CG GLN A 74 12.600 -2.572 5.279 1.00 13.42 C ATOM 1064 CD GLN A 74 12.754 -3.523 6.428 1.00 41.40 C ATOM 1065 OE1 GLN A 74 12.477 -4.718 6.285 1.00 63.30 O ATOM 1066 NE2 GLN A 74 13.192 -3.026 7.583 1.00 50.13 N ATOM 0 H GLN A 74 9.887 -3.523 6.948 1.00 22.43 H new ATOM 0 HA GLN A 74 10.716 -0.978 6.142 1.00 51.41 H new ATOM 0 HB2 GLN A 74 10.811 -3.633 4.747 1.00 41.34 H new ATOM 0 HB3 GLN A 74 11.090 -2.183 3.802 1.00 41.34 H new ATOM 0 HG2 GLN A 74 13.264 -2.856 4.462 1.00 13.42 H new ATOM 0 HG3 GLN A 74 12.882 -1.564 5.583 1.00 13.42 H new ATOM 0 HE21 GLN A 74 13.410 -2.033 7.661 1.00 50.13 H new ATOM 0 HE22 GLN A 74 13.309 -3.639 8.390 1.00 50.13 H new ATOM 1075 N ALA A 75 7.888 -2.136 4.869 1.00 61.44 N ATOM 1076 CA ALA A 75 6.727 -1.767 4.055 1.00 61.21 C ATOM 1077 C ALA A 75 6.241 -0.389 4.498 1.00 34.41 C ATOM 1078 O ALA A 75 5.887 0.449 3.673 1.00 1.32 O ATOM 1079 CB ALA A 75 5.562 -2.766 4.175 1.00 62.24 C ATOM 0 H ALA A 75 7.770 -2.985 5.422 1.00 61.44 H new ATOM 0 HA ALA A 75 7.046 -1.769 3.013 1.00 61.21 H new ATOM 0 HB1 ALA A 75 4.734 -2.436 3.548 1.00 62.24 H new ATOM 0 HB2 ALA A 75 5.893 -3.752 3.849 1.00 62.24 H new ATOM 0 HB3 ALA A 75 5.233 -2.819 5.213 1.00 62.24 H new ATOM 1085 N VAL A 76 6.280 -0.124 5.829 1.00 23.44 N ATOM 1086 CA VAL A 76 5.908 1.177 6.358 1.00 14.24 C ATOM 1087 C VAL A 76 7.029 2.141 5.998 1.00 11.41 C ATOM 1088 O VAL A 76 6.772 3.232 5.468 1.00 71.22 O ATOM 1089 CB VAL A 76 5.725 1.177 7.882 1.00 73.45 C ATOM 1090 CG1 VAL A 76 5.270 2.587 8.342 1.00 63.30 C ATOM 1091 CG2 VAL A 76 4.708 0.075 8.255 1.00 21.54 C ATOM 0 H VAL A 76 6.566 -0.801 6.537 1.00 23.44 H new ATOM 0 HA VAL A 76 4.949 1.465 5.927 1.00 14.24 H new ATOM 0 HB VAL A 76 6.662 0.957 8.394 1.00 73.45 H new ATOM 0 HG11 VAL A 76 5.139 2.592 9.424 1.00 63.30 H new ATOM 0 HG12 VAL A 76 6.026 3.322 8.065 1.00 63.30 H new ATOM 0 HG13 VAL A 76 4.325 2.839 7.861 1.00 63.30 H new ATOM 0 HG21 VAL A 76 4.566 0.061 9.336 1.00 21.54 H new ATOM 0 HG22 VAL A 76 3.755 0.279 7.767 1.00 21.54 H new ATOM 0 HG23 VAL A 76 5.084 -0.894 7.926 1.00 21.54 H new ATOM 1101 N CYS A 77 8.324 1.728 6.289 1.00 64.40 N ATOM 1102 CA CYS A 77 9.522 2.642 6.085 1.00 51.21 C ATOM 1103 C CYS A 77 9.484 3.179 4.654 1.00 72.34 C ATOM 1104 O CYS A 77 10.133 4.129 4.329 1.00 63.04 O ATOM 1105 CB CYS A 77 10.883 1.899 6.213 1.00 30.15 C ATOM 1106 SG CYS A 77 11.134 1.080 7.821 1.00 62.11 S ATOM 0 H CYS A 77 8.558 0.804 6.652 1.00 64.40 H new ATOM 0 HA CYS A 77 9.456 3.416 6.850 1.00 51.21 H new ATOM 0 HB2 CYS A 77 10.953 1.152 5.422 1.00 30.15 H new ATOM 0 HB3 CYS A 77 11.691 2.612 6.050 1.00 30.15 H new ATOM 0 HG CYS A 77 10.103 0.337 8.095 1.00 62.11 H new ATOM 1111 N THR A 78 8.902 2.371 3.741 1.00 21.22 N ATOM 1112 CA THR A 78 8.956 2.646 2.322 1.00 65.43 C ATOM 1113 C THR A 78 8.180 3.910 2.077 1.00 41.25 C ATOM 1114 O THR A 78 8.715 4.852 1.564 1.00 61.32 O ATOM 1115 CB THR A 78 8.390 1.517 1.464 1.00 3.13 C ATOM 1116 OG1 THR A 78 9.131 0.320 1.703 1.00 21.53 O ATOM 1117 CG2 THR A 78 8.527 1.897 -0.031 1.00 24.20 C ATOM 0 H THR A 78 8.391 1.522 3.982 1.00 21.22 H new ATOM 0 HA THR A 78 10.002 2.746 2.032 1.00 65.43 H new ATOM 0 HB THR A 78 7.341 1.360 1.717 1.00 3.13 H new ATOM 0 HG1 THR A 78 8.818 -0.098 2.532 1.00 21.53 H new ATOM 0 HG21 THR A 78 8.124 1.094 -0.649 1.00 24.20 H new ATOM 0 HG22 THR A 78 7.974 2.816 -0.225 1.00 24.20 H new ATOM 0 HG23 THR A 78 9.579 2.048 -0.273 1.00 24.20 H new ATOM 1125 N LEU A 79 6.897 3.942 2.499 1.00 2.14 N ATOM 1126 CA LEU A 79 6.033 5.108 2.277 1.00 15.14 C ATOM 1127 C LEU A 79 6.700 6.336 2.871 1.00 2.41 C ATOM 1128 O LEU A 79 6.927 7.316 2.202 1.00 63.41 O ATOM 1129 CB LEU A 79 4.637 4.940 2.926 1.00 13.43 C ATOM 1130 CG LEU A 79 3.890 3.666 2.455 1.00 14.40 C ATOM 1131 CD1 LEU A 79 2.569 3.450 3.209 1.00 12.10 C ATOM 1132 CD2 LEU A 79 3.709 3.599 0.920 1.00 72.33 C ATOM 0 H LEU A 79 6.444 3.173 2.993 1.00 2.14 H new ATOM 0 HA LEU A 79 5.892 5.213 1.201 1.00 15.14 H new ATOM 0 HB2 LEU A 79 4.750 4.907 4.010 1.00 13.43 H new ATOM 0 HB3 LEU A 79 4.029 5.815 2.695 1.00 13.43 H new ATOM 0 HG LEU A 79 4.539 2.829 2.714 1.00 14.40 H new ATOM 0 HD11 LEU A 79 2.084 2.545 2.842 1.00 12.10 H new ATOM 0 HD12 LEU A 79 2.771 3.347 4.275 1.00 12.10 H new ATOM 0 HD13 LEU A 79 1.913 4.305 3.045 1.00 12.10 H new ATOM 0 HD21 LEU A 79 3.179 2.684 0.656 1.00 72.33 H new ATOM 0 HD22 LEU A 79 3.134 4.461 0.584 1.00 72.33 H new ATOM 0 HD23 LEU A 79 4.687 3.605 0.438 1.00 72.33 H new ATOM 1144 N ARG A 80 7.021 6.270 4.164 1.00 11.24 N ATOM 1145 CA ARG A 80 7.756 7.359 4.836 1.00 3.33 C ATOM 1146 C ARG A 80 9.025 7.791 4.052 1.00 11.54 C ATOM 1147 O ARG A 80 9.453 8.935 4.155 1.00 43.43 O ATOM 1148 CB ARG A 80 8.160 7.052 6.289 1.00 50.43 C ATOM 1149 CG ARG A 80 7.098 6.276 7.079 1.00 24.12 C ATOM 1150 CD ARG A 80 7.152 6.534 8.594 1.00 4.02 C ATOM 1151 NE ARG A 80 6.326 7.764 8.871 1.00 12.33 N ATOM 1152 CZ ARG A 80 6.853 8.995 9.248 1.00 54.42 C ATOM 1153 NH1 ARG A 80 8.183 9.189 9.374 1.00 43.41 N ATOM 1154 NH2 ARG A 80 6.017 10.022 9.498 1.00 34.21 N ATOM 0 H ARG A 80 6.788 5.482 4.769 1.00 11.24 H new ATOM 0 HA ARG A 80 7.035 8.176 4.856 1.00 3.33 H new ATOM 0 HB2 ARG A 80 9.087 6.478 6.285 1.00 50.43 H new ATOM 0 HB3 ARG A 80 8.368 7.990 6.804 1.00 50.43 H new ATOM 0 HG2 ARG A 80 6.110 6.547 6.707 1.00 24.12 H new ATOM 0 HG3 ARG A 80 7.227 5.209 6.895 1.00 24.12 H new ATOM 0 HD2 ARG A 80 6.761 5.677 9.143 1.00 4.02 H new ATOM 0 HD3 ARG A 80 8.181 6.681 8.922 1.00 4.02 H new ATOM 0 HE ARG A 80 5.313 7.689 8.776 1.00 12.33 H new ATOM 0 HH11 ARG A 80 8.830 8.422 9.191 1.00 43.41 H new ATOM 0 HH12 ARG A 80 8.541 10.103 9.652 1.00 43.41 H new ATOM 0 HH21 ARG A 80 5.009 9.892 9.410 1.00 34.21 H new ATOM 0 HH22 ARG A 80 6.392 10.929 9.775 1.00 34.21 H new ATOM 1168 N ASN A 81 9.637 6.868 3.272 1.00 33.30 N ATOM 1169 CA ASN A 81 10.904 7.143 2.577 1.00 54.23 C ATOM 1170 C ASN A 81 10.616 7.655 1.159 1.00 51.32 C ATOM 1171 O ASN A 81 11.516 8.165 0.490 1.00 35.23 O ATOM 1172 CB ASN A 81 11.787 5.858 2.443 1.00 12.33 C ATOM 1173 CG ASN A 81 13.200 6.224 1.979 1.00 32.23 C ATOM 1174 OD1 ASN A 81 13.963 6.888 2.708 1.00 14.24 O ATOM 1175 ND2 ASN A 81 13.579 5.786 0.768 1.00 51.31 N ATOM 0 H ASN A 81 9.269 5.930 3.113 1.00 33.30 H new ATOM 0 HA ASN A 81 11.438 7.886 3.169 1.00 54.23 H new ATOM 0 HB2 ASN A 81 11.835 5.341 3.401 1.00 12.33 H new ATOM 0 HB3 ASN A 81 11.331 5.169 1.732 1.00 12.33 H new ATOM 0 HD21 ASN A 81 14.515 5.994 0.420 1.00 51.31 H new ATOM 0 HD22 ASN A 81 12.931 5.245 0.196 1.00 51.31 H new ATOM 1182 N THR A 82 9.365 7.530 0.657 1.00 30.22 N ATOM 1183 CA THR A 82 9.099 7.902 -0.726 1.00 31.33 C ATOM 1184 C THR A 82 8.937 9.415 -0.808 1.00 64.15 C ATOM 1185 O THR A 82 8.954 10.130 0.211 1.00 74.15 O ATOM 1186 CB THR A 82 7.881 7.223 -1.356 1.00 41.34 C ATOM 1187 OG1 THR A 82 6.733 7.356 -0.528 1.00 71.42 O ATOM 1188 CG2 THR A 82 8.195 5.734 -1.579 1.00 32.14 C ATOM 0 H THR A 82 8.559 7.186 1.178 1.00 30.22 H new ATOM 0 HA THR A 82 9.956 7.552 -1.302 1.00 31.33 H new ATOM 0 HB THR A 82 7.665 7.706 -2.309 1.00 41.34 H new ATOM 0 HG1 THR A 82 6.978 7.174 0.403 1.00 71.42 H new ATOM 0 HG21 THR A 82 7.331 5.243 -2.028 1.00 32.14 H new ATOM 0 HG22 THR A 82 9.053 5.639 -2.245 1.00 32.14 H new ATOM 0 HG23 THR A 82 8.424 5.263 -0.623 1.00 32.14 H new ATOM 1196 N GLY A 83 8.818 9.910 -2.049 1.00 21.21 N ATOM 1197 CA GLY A 83 8.696 11.323 -2.310 1.00 3.54 C ATOM 1198 C GLY A 83 7.275 11.757 -2.087 1.00 55.13 C ATOM 1199 O GLY A 83 6.517 11.144 -1.313 1.00 52.23 O ATOM 0 H GLY A 83 8.805 9.330 -2.888 1.00 21.21 H new ATOM 0 HA2 GLY A 83 9.365 11.883 -1.656 1.00 3.54 H new ATOM 0 HA3 GLY A 83 8.997 11.541 -3.335 1.00 3.54 H new ATOM 1203 N GLN A 84 6.907 12.865 -2.766 1.00 71.21 N ATOM 1204 CA GLN A 84 5.642 13.524 -2.588 1.00 12.41 C ATOM 1205 C GLN A 84 4.633 12.766 -3.365 1.00 63.33 C ATOM 1206 O GLN A 84 3.543 12.516 -2.892 1.00 53.30 O ATOM 1207 CB GLN A 84 5.667 14.976 -3.141 1.00 23.51 C ATOM 1208 CG GLN A 84 4.310 15.700 -3.084 1.00 72.31 C ATOM 1209 CD GLN A 84 4.511 17.109 -3.611 1.00 53.14 C ATOM 1210 OE1 GLN A 84 4.286 17.384 -4.801 1.00 44.53 O ATOM 1211 NE2 GLN A 84 4.949 18.023 -2.741 1.00 62.14 N ATOM 0 H GLN A 84 7.506 13.315 -3.458 1.00 71.21 H new ATOM 0 HA GLN A 84 5.414 13.562 -1.523 1.00 12.41 H new ATOM 0 HB2 GLN A 84 6.398 15.555 -2.576 1.00 23.51 H new ATOM 0 HB3 GLN A 84 6.010 14.952 -4.176 1.00 23.51 H new ATOM 0 HG2 GLN A 84 3.569 15.170 -3.683 1.00 72.31 H new ATOM 0 HG3 GLN A 84 3.934 15.725 -2.061 1.00 72.31 H new ATOM 0 HE21 GLN A 84 5.123 17.761 -1.771 1.00 62.14 H new ATOM 0 HE22 GLN A 84 5.109 18.983 -3.047 1.00 62.14 H new ATOM 1220 N VAL A 85 4.988 12.379 -4.592 1.00 1.12 N ATOM 1221 CA VAL A 85 4.075 11.635 -5.407 1.00 40.55 C ATOM 1222 C VAL A 85 4.674 10.287 -5.453 1.00 32.14 C ATOM 1223 O VAL A 85 5.893 10.157 -5.655 1.00 65.44 O ATOM 1224 CB VAL A 85 3.884 12.175 -6.820 1.00 70.11 C ATOM 1225 CG1 VAL A 85 2.847 11.286 -7.569 1.00 71.54 C ATOM 1226 CG2 VAL A 85 3.418 13.643 -6.699 1.00 2.55 C ATOM 0 H VAL A 85 5.892 12.573 -5.023 1.00 1.12 H new ATOM 0 HA VAL A 85 3.072 11.678 -4.982 1.00 40.55 H new ATOM 0 HB VAL A 85 4.809 12.147 -7.396 1.00 70.11 H new ATOM 0 HG11 VAL A 85 2.705 11.666 -8.581 1.00 71.54 H new ATOM 0 HG12 VAL A 85 3.213 10.260 -7.615 1.00 71.54 H new ATOM 0 HG13 VAL A 85 1.896 11.309 -7.036 1.00 71.54 H new ATOM 0 HG21 VAL A 85 3.271 14.061 -7.695 1.00 2.55 H new ATOM 0 HG22 VAL A 85 2.479 13.682 -6.147 1.00 2.55 H new ATOM 0 HG23 VAL A 85 4.174 14.222 -6.170 1.00 2.55 H new ATOM 1236 N VAL A 86 3.871 9.253 -5.197 1.00 24.31 N ATOM 1237 CA VAL A 86 4.382 7.924 -5.094 1.00 13.43 C ATOM 1238 C VAL A 86 3.651 7.136 -6.135 1.00 70.15 C ATOM 1239 O VAL A 86 2.464 7.334 -6.329 1.00 42.54 O ATOM 1240 CB VAL A 86 4.109 7.294 -3.728 1.00 1.51 C ATOM 1241 CG1 VAL A 86 4.871 5.951 -3.625 1.00 30.42 C ATOM 1242 CG2 VAL A 86 4.532 8.305 -2.640 1.00 53.21 C ATOM 0 H VAL A 86 2.863 9.332 -5.060 1.00 24.31 H new ATOM 0 HA VAL A 86 5.464 7.932 -5.227 1.00 13.43 H new ATOM 0 HB VAL A 86 3.051 7.071 -3.591 1.00 1.51 H new ATOM 0 HG11 VAL A 86 4.680 5.498 -2.652 1.00 30.42 H new ATOM 0 HG12 VAL A 86 4.531 5.278 -4.412 1.00 30.42 H new ATOM 0 HG13 VAL A 86 5.940 6.130 -3.738 1.00 30.42 H new ATOM 0 HG21 VAL A 86 4.347 7.878 -1.655 1.00 53.21 H new ATOM 0 HG22 VAL A 86 5.594 8.529 -2.744 1.00 53.21 H new ATOM 0 HG23 VAL A 86 3.955 9.223 -2.752 1.00 53.21 H new ATOM 1252 N HIS A 87 4.354 6.236 -6.828 1.00 74.43 N ATOM 1253 CA HIS A 87 3.721 5.354 -7.785 1.00 60.43 C ATOM 1254 C HIS A 87 3.497 4.083 -7.042 1.00 4.13 C ATOM 1255 O HIS A 87 4.443 3.474 -6.567 1.00 3.02 O ATOM 1256 CB HIS A 87 4.610 5.040 -9.015 1.00 43.14 C ATOM 1257 CG HIS A 87 4.819 6.239 -9.896 1.00 43.30 C ATOM 1258 ND1 HIS A 87 3.922 6.601 -10.867 1.00 44.33 N ATOM 1259 CD2 HIS A 87 5.788 7.173 -9.877 1.00 23.43 C ATOM 1260 CE1 HIS A 87 4.333 7.739 -11.416 1.00 10.30 C ATOM 1261 NE2 HIS A 87 5.467 8.106 -10.825 1.00 62.43 N ATOM 0 H HIS A 87 5.362 6.107 -6.737 1.00 74.43 H new ATOM 0 HA HIS A 87 2.816 5.824 -8.170 1.00 60.43 H new ATOM 0 HB2 HIS A 87 5.577 4.670 -8.675 1.00 43.14 H new ATOM 0 HB3 HIS A 87 4.150 4.241 -9.597 1.00 43.14 H new ATOM 0 HD2 HIS A 87 6.656 7.184 -9.234 1.00 23.43 H new ATOM 0 HE1 HIS A 87 3.831 8.275 -12.208 1.00 10.30 H new ATOM 0 HE2 HIS A 87 6.007 8.943 -11.042 1.00 62.43 H new ATOM 1270 N LEU A 88 2.237 3.679 -6.888 1.00 3.10 N ATOM 1271 CA LEU A 88 1.925 2.495 -6.131 1.00 51.11 C ATOM 1272 C LEU A 88 1.213 1.600 -7.066 1.00 61.32 C ATOM 1273 O LEU A 88 0.443 2.059 -7.903 1.00 63.54 O ATOM 1274 CB LEU A 88 1.007 2.757 -4.905 1.00 5.21 C ATOM 1275 CG LEU A 88 1.666 3.680 -3.853 1.00 24.30 C ATOM 1276 CD1 LEU A 88 0.649 4.290 -2.888 1.00 72.54 C ATOM 1277 CD2 LEU A 88 2.844 3.000 -3.123 1.00 23.23 C ATOM 0 H LEU A 88 1.428 4.160 -7.280 1.00 3.10 H new ATOM 0 HA LEU A 88 2.850 2.079 -5.731 1.00 51.11 H new ATOM 0 HB2 LEU A 88 0.074 3.207 -5.244 1.00 5.21 H new ATOM 0 HB3 LEU A 88 0.751 1.806 -4.438 1.00 5.21 H new ATOM 0 HG LEU A 88 2.095 4.515 -4.407 1.00 24.30 H new ATOM 0 HD11 LEU A 88 1.165 4.929 -2.171 1.00 72.54 H new ATOM 0 HD12 LEU A 88 -0.074 4.883 -3.448 1.00 72.54 H new ATOM 0 HD13 LEU A 88 0.129 3.493 -2.356 1.00 72.54 H new ATOM 0 HD21 LEU A 88 3.270 3.692 -2.396 1.00 23.23 H new ATOM 0 HD22 LEU A 88 2.487 2.108 -2.609 1.00 23.23 H new ATOM 0 HD23 LEU A 88 3.608 2.720 -3.848 1.00 23.23 H new ATOM 1289 N LEU A 89 1.481 0.299 -6.953 1.00 10.24 N ATOM 1290 CA LEU A 89 0.815 -0.680 -7.771 1.00 31.44 C ATOM 1291 C LEU A 89 0.054 -1.496 -6.828 1.00 35.11 C ATOM 1292 O LEU A 89 0.580 -1.906 -5.777 1.00 44.23 O ATOM 1293 CB LEU A 89 1.768 -1.625 -8.536 1.00 74.21 C ATOM 1294 CG LEU A 89 2.052 -1.194 -9.985 1.00 50.32 C ATOM 1295 CD1 LEU A 89 2.273 0.321 -10.160 1.00 61.32 C ATOM 1296 CD2 LEU A 89 3.144 -2.049 -10.645 1.00 42.25 C ATOM 0 H LEU A 89 2.159 -0.089 -6.297 1.00 10.24 H new ATOM 0 HA LEU A 89 0.226 -0.163 -8.529 1.00 31.44 H new ATOM 0 HB2 LEU A 89 2.712 -1.687 -7.995 1.00 74.21 H new ATOM 0 HB3 LEU A 89 1.339 -2.627 -8.544 1.00 74.21 H new ATOM 0 HG LEU A 89 1.131 -1.395 -10.533 1.00 50.32 H new ATOM 0 HD11 LEU A 89 2.467 0.542 -11.210 1.00 61.32 H new ATOM 0 HD12 LEU A 89 1.382 0.859 -9.835 1.00 61.32 H new ATOM 0 HD13 LEU A 89 3.126 0.636 -9.559 1.00 61.32 H new ATOM 0 HD21 LEU A 89 3.308 -1.705 -11.666 1.00 42.25 H new ATOM 0 HD22 LEU A 89 4.071 -1.957 -10.078 1.00 42.25 H new ATOM 0 HD23 LEU A 89 2.830 -3.093 -10.659 1.00 42.25 H new ATOM 1308 N LEU A 90 -1.202 -1.738 -7.160 1.00 12.14 N ATOM 1309 CA LEU A 90 -2.056 -2.470 -6.289 1.00 4.42 C ATOM 1310 C LEU A 90 -2.729 -3.489 -7.126 1.00 34.15 C ATOM 1311 O LEU A 90 -2.837 -3.327 -8.342 1.00 23.11 O ATOM 1312 CB LEU A 90 -3.113 -1.611 -5.569 1.00 45.52 C ATOM 1313 CG LEU A 90 -2.492 -0.522 -4.652 1.00 22.41 C ATOM 1314 CD1 LEU A 90 -2.221 0.810 -5.375 1.00 53.43 C ATOM 1315 CD2 LEU A 90 -3.289 -0.329 -3.371 1.00 11.14 C ATOM 0 H LEU A 90 -1.638 -1.432 -8.030 1.00 12.14 H new ATOM 0 HA LEU A 90 -1.450 -2.901 -5.492 1.00 4.42 H new ATOM 0 HB2 LEU A 90 -3.750 -1.132 -6.312 1.00 45.52 H new ATOM 0 HB3 LEU A 90 -3.753 -2.259 -4.971 1.00 45.52 H new ATOM 0 HG LEU A 90 -1.512 -0.903 -4.366 1.00 22.41 H new ATOM 0 HD11 LEU A 90 -1.788 1.523 -4.674 1.00 53.43 H new ATOM 0 HD12 LEU A 90 -1.526 0.642 -6.198 1.00 53.43 H new ATOM 0 HD13 LEU A 90 -3.157 1.209 -5.766 1.00 53.43 H new ATOM 0 HD21 LEU A 90 -2.817 0.442 -2.762 1.00 11.14 H new ATOM 0 HD22 LEU A 90 -4.306 -0.025 -3.618 1.00 11.14 H new ATOM 0 HD23 LEU A 90 -3.316 -1.266 -2.814 1.00 11.14 H new ATOM 1327 N GLU A 91 -3.118 -4.612 -6.502 1.00 33.21 N ATOM 1328 CA GLU A 91 -3.663 -5.724 -7.227 1.00 50.11 C ATOM 1329 C GLU A 91 -5.064 -5.851 -6.768 1.00 32.24 C ATOM 1330 O GLU A 91 -5.327 -5.844 -5.562 1.00 71.02 O ATOM 1331 CB GLU A 91 -2.938 -7.047 -6.884 1.00 12.43 C ATOM 1332 CG GLU A 91 -3.311 -8.244 -7.770 1.00 34.53 C ATOM 1333 CD GLU A 91 -2.502 -9.444 -7.302 1.00 54.43 C ATOM 1334 OE1 GLU A 91 -1.762 -9.329 -6.292 1.00 10.35 O ATOM 1335 OE2 GLU A 91 -2.606 -10.511 -7.927 1.00 3.43 O ATOM 0 H GLU A 91 -3.057 -4.755 -5.494 1.00 33.21 H new ATOM 0 HA GLU A 91 -3.561 -5.552 -8.299 1.00 50.11 H new ATOM 0 HB2 GLU A 91 -1.863 -6.883 -6.956 1.00 12.43 H new ATOM 0 HB3 GLU A 91 -3.153 -7.302 -5.846 1.00 12.43 H new ATOM 0 HG2 GLU A 91 -4.378 -8.453 -7.699 1.00 34.53 H new ATOM 0 HG3 GLU A 91 -3.098 -8.025 -8.816 1.00 34.53 H new