USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -0.131 K(o=-0.53,f=-2.9!) USER MOD Set 1.2: A 62 THR OG1 : rot -83:sc= -0.194 USER MOD Set 1.3: A 63 THR OG1 : rot 160:sc= -0.209 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0491) USER MOD Single : A 25 HIS : no HE2:sc= -3.48 K(o=-3.5,f=-7.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0114 (180deg=-0.184) USER MOD Single : A 57 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.17) USER MOD Single : A 72 THR OG1 : rot 120:sc= 0.0131 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 59:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.581 -5.110 -14.264 1.00 0.00 N ATOM 82 CA TYR A 6 4.305 -4.753 -14.973 1.00 0.00 C ATOM 83 C TYR A 6 3.913 -3.331 -14.570 1.00 0.00 C ATOM 84 O TYR A 6 4.336 -2.846 -13.537 1.00 0.00 O ATOM 85 CB TYR A 6 3.140 -5.734 -14.574 1.00 0.00 C ATOM 86 CG TYR A 6 3.629 -6.885 -13.683 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.426 -7.877 -14.217 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.292 -6.942 -12.343 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.881 -8.909 -13.428 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.747 -7.978 -11.552 1.00 0.00 C ATOM 91 CZ TYR A 6 4.545 -8.967 -12.090 1.00 0.00 C ATOM 92 OH TYR A 6 5.003 -10.001 -11.301 1.00 0.00 O ATOM 0 HA TYR A 6 4.465 -4.828 -16.049 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.362 -5.178 -14.051 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.687 -6.143 -15.477 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.695 -7.843 -15.262 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.669 -6.172 -11.913 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.505 -9.678 -13.858 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.477 -8.015 -10.507 1.00 0.00 H new ATOM 0 HH TYR A 6 4.673 -9.885 -10.386 1.00 0.00 H new ATOM 102 N GLN A 7 3.110 -2.711 -15.398 1.00 0.00 N ATOM 103 CA GLN A 7 2.704 -1.297 -15.127 1.00 0.00 C ATOM 104 C GLN A 7 1.197 -1.096 -15.291 1.00 0.00 C ATOM 105 O GLN A 7 0.489 -1.920 -15.845 1.00 0.00 O ATOM 106 CB GLN A 7 3.482 -0.365 -16.094 1.00 0.00 C ATOM 107 CG GLN A 7 4.722 0.194 -15.368 1.00 0.00 C ATOM 108 CD GLN A 7 5.595 1.000 -16.342 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.879 2.160 -16.122 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.042 0.424 -17.424 1.00 0.00 N ATOM 0 H GLN A 7 2.719 -3.120 -16.247 1.00 0.00 H new ATOM 0 HA GLN A 7 2.946 -1.055 -14.092 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.784 -0.916 -16.985 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.841 0.452 -16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.410 0.829 -14.539 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.302 -0.625 -14.942 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.809 -0.550 -17.617 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.625 0.948 -18.077 1.00 0.00 H new ATOM 119 N TYR A 8 0.779 0.028 -14.772 1.00 0.00 N ATOM 120 CA TYR A 8 -0.656 0.431 -14.811 1.00 0.00 C ATOM 121 C TYR A 8 -0.718 1.921 -15.186 1.00 0.00 C ATOM 122 O TYR A 8 -0.059 2.731 -14.566 1.00 0.00 O ATOM 123 CB TYR A 8 -1.286 0.208 -13.410 1.00 0.00 C ATOM 124 CG TYR A 8 -1.285 -1.283 -13.006 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.105 -1.935 -12.690 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.467 -1.996 -12.950 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.107 -3.264 -12.326 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.468 -3.327 -12.582 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.289 -3.973 -12.268 1.00 0.00 C ATOM 130 OH TYR A 8 -1.292 -5.306 -11.904 1.00 0.00 O ATOM 0 H TYR A 8 1.391 0.701 -14.310 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.207 -0.161 -15.542 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.734 0.785 -12.668 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.309 0.583 -13.409 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.829 -1.395 -12.729 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.399 -1.508 -13.196 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.824 -3.755 -12.084 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.401 -3.869 -12.539 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.211 -5.646 -11.915 1.00 0.00 H new ATOM 140 N ARG A 9 -1.509 2.241 -16.182 1.00 0.00 N ATOM 141 CA ARG A 9 -1.714 3.677 -16.561 1.00 0.00 C ATOM 142 C ARG A 9 -2.898 4.216 -15.743 1.00 0.00 C ATOM 143 O ARG A 9 -4.016 3.771 -15.909 1.00 0.00 O ATOM 144 CB ARG A 9 -2.036 3.773 -18.082 1.00 0.00 C ATOM 145 CG ARG A 9 -0.765 4.176 -18.862 1.00 0.00 C ATOM 146 CD ARG A 9 -1.082 4.264 -20.377 1.00 0.00 C ATOM 147 NE ARG A 9 -1.053 5.698 -20.808 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.143 6.284 -21.228 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.909 6.885 -20.362 1.00 0.00 N ATOM 150 NH2 ARG A 9 -2.435 6.250 -22.500 1.00 0.00 N ATOM 0 H ARG A 9 -2.023 1.568 -16.751 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.816 4.260 -16.357 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.408 2.815 -18.445 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.825 4.506 -18.250 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.396 5.137 -18.502 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.026 3.446 -18.689 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.354 3.687 -20.946 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.061 3.831 -20.581 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.178 6.220 -20.774 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.654 6.893 -19.374 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.764 7.348 -20.672 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.815 5.770 -23.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.283 6.703 -22.841 1.00 0.00 H new ATOM 164 N ALA A 10 -2.596 5.159 -14.880 1.00 0.00 N ATOM 165 CA ALA A 10 -3.662 5.918 -14.149 1.00 0.00 C ATOM 166 C ALA A 10 -4.779 6.398 -15.094 1.00 0.00 C ATOM 167 O ALA A 10 -4.526 7.106 -16.049 1.00 0.00 O ATOM 168 CB ALA A 10 -3.002 7.128 -13.442 1.00 0.00 C ATOM 0 H ALA A 10 -1.643 5.438 -14.648 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.128 5.255 -13.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.762 7.694 -12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.249 6.772 -12.739 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.530 7.770 -14.185 1.00 0.00 H new ATOM 174 N LEU A 11 -5.983 5.986 -14.783 1.00 0.00 N ATOM 175 CA LEU A 11 -7.169 6.338 -15.625 1.00 0.00 C ATOM 176 C LEU A 11 -7.626 7.780 -15.344 1.00 0.00 C ATOM 177 O LEU A 11 -7.965 8.503 -16.262 1.00 0.00 O ATOM 178 CB LEU A 11 -8.302 5.339 -15.304 1.00 0.00 C ATOM 179 CG LEU A 11 -9.395 5.367 -16.417 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.841 4.736 -17.742 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.645 4.578 -15.915 1.00 0.00 C ATOM 0 H LEU A 11 -6.198 5.411 -13.968 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.905 6.277 -16.681 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.892 4.333 -15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.750 5.587 -14.342 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.677 6.398 -16.629 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.615 4.763 -18.509 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.975 5.304 -18.081 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.548 3.702 -17.558 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.416 4.591 -16.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.363 3.547 -15.701 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.030 5.045 -15.008 1.00 0.00 H new ATOM 193 N TYR A 12 -7.619 8.142 -14.086 1.00 0.00 N ATOM 194 CA TYR A 12 -8.082 9.502 -13.658 1.00 0.00 C ATOM 195 C TYR A 12 -7.173 10.052 -12.553 1.00 0.00 C ATOM 196 O TYR A 12 -6.464 9.310 -11.901 1.00 0.00 O ATOM 197 CB TYR A 12 -9.545 9.392 -13.146 1.00 0.00 C ATOM 198 CG TYR A 12 -10.493 10.008 -14.184 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.935 9.263 -15.260 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.912 11.319 -14.056 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.784 9.818 -16.192 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.763 11.873 -14.989 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.203 11.128 -16.063 1.00 0.00 C ATOM 204 OH TYR A 12 -13.054 11.687 -16.996 1.00 0.00 O ATOM 0 H TYR A 12 -7.307 7.543 -13.322 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.038 10.187 -14.504 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.805 8.347 -12.974 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.648 9.908 -12.191 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.613 8.238 -15.371 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.571 11.913 -13.221 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.124 9.226 -17.028 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.087 12.897 -14.878 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.246 12.616 -16.748 1.00 0.00 H new ATOM 214 N ASP A 13 -7.232 11.350 -12.389 1.00 0.00 N ATOM 215 CA ASP A 13 -6.512 12.024 -11.264 1.00 0.00 C ATOM 216 C ASP A 13 -7.197 11.710 -9.920 1.00 0.00 C ATOM 217 O ASP A 13 -8.390 11.893 -9.779 1.00 0.00 O ATOM 218 CB ASP A 13 -6.510 13.550 -11.536 1.00 0.00 C ATOM 219 CG ASP A 13 -5.937 14.298 -10.312 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.729 14.473 -10.297 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.739 14.648 -9.462 1.00 0.00 O ATOM 0 H ASP A 13 -7.756 11.980 -12.996 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.487 11.658 -11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.913 13.770 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.524 13.893 -11.742 1.00 0.00 H new ATOM 226 N TYR A 14 -6.404 11.247 -8.985 1.00 0.00 N ATOM 227 CA TYR A 14 -6.868 11.026 -7.575 1.00 0.00 C ATOM 228 C TYR A 14 -5.919 11.762 -6.613 1.00 0.00 C ATOM 229 O TYR A 14 -4.716 11.622 -6.711 1.00 0.00 O ATOM 230 CB TYR A 14 -6.871 9.492 -7.329 1.00 0.00 C ATOM 231 CG TYR A 14 -6.884 9.116 -5.829 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.072 8.985 -5.138 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.695 8.896 -5.156 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.072 8.636 -3.800 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.693 8.549 -3.821 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.883 8.415 -3.133 1.00 0.00 C ATOM 237 OH TYR A 14 -6.882 8.066 -1.798 1.00 0.00 O ATOM 0 H TYR A 14 -5.426 11.006 -9.144 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.871 11.419 -7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.743 9.054 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.991 9.053 -7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.009 9.157 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.757 8.997 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.009 8.535 -3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.756 8.381 -3.311 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.959 7.949 -1.491 1.00 0.00 H new ATOM 247 N LYS A 15 -6.484 12.525 -5.711 1.00 0.00 N ATOM 248 CA LYS A 15 -5.691 13.100 -4.581 1.00 0.00 C ATOM 249 C LYS A 15 -5.721 12.132 -3.387 1.00 0.00 C ATOM 250 O LYS A 15 -6.654 11.366 -3.240 1.00 0.00 O ATOM 251 CB LYS A 15 -6.315 14.470 -4.224 1.00 0.00 C ATOM 252 CG LYS A 15 -5.625 15.060 -2.974 1.00 0.00 C ATOM 253 CD LYS A 15 -5.699 16.600 -2.980 1.00 0.00 C ATOM 254 CE LYS A 15 -5.137 17.136 -1.638 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.551 18.495 -1.820 1.00 0.00 N ATOM 0 H LYS A 15 -7.472 12.777 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.646 13.241 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.210 15.156 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.383 14.354 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.102 14.673 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.583 14.742 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.126 17.001 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.730 16.927 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.932 17.174 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.376 16.454 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.180 18.838 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.778 18.450 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.286 19.147 -2.162 1.00 0.00 H new ATOM 269 N LYS A 16 -4.701 12.211 -2.571 1.00 0.00 N ATOM 270 CA LYS A 16 -4.591 11.313 -1.374 1.00 0.00 C ATOM 271 C LYS A 16 -5.273 11.970 -0.164 1.00 0.00 C ATOM 272 O LYS A 16 -5.672 13.117 -0.227 1.00 0.00 O ATOM 273 CB LYS A 16 -3.076 11.043 -1.055 1.00 0.00 C ATOM 274 CG LYS A 16 -2.170 12.308 -1.186 1.00 0.00 C ATOM 275 CD LYS A 16 -2.527 13.368 -0.109 1.00 0.00 C ATOM 276 CE LYS A 16 -1.300 14.235 0.227 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.347 13.479 1.089 1.00 0.00 N ATOM 0 H LYS A 16 -3.928 12.867 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.086 10.366 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.992 10.651 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.705 10.270 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.123 12.021 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.287 12.741 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.338 14.001 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.886 12.871 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.802 14.543 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.618 15.144 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.346 14.136 1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.870 13.006 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.149 12.766 0.516 1.00 0.00 H new ATOM 291 N GLU A 17 -5.390 11.216 0.900 1.00 0.00 N ATOM 292 CA GLU A 17 -5.978 11.744 2.171 1.00 0.00 C ATOM 293 C GLU A 17 -5.199 11.234 3.395 1.00 0.00 C ATOM 294 O GLU A 17 -5.403 11.693 4.503 1.00 0.00 O ATOM 295 CB GLU A 17 -7.448 11.300 2.242 1.00 0.00 C ATOM 296 CG GLU A 17 -8.295 12.548 2.545 1.00 0.00 C ATOM 297 CD GLU A 17 -7.994 13.071 3.963 1.00 0.00 C ATOM 298 OE1 GLU A 17 -8.456 12.429 4.892 1.00 0.00 O ATOM 299 OE2 GLU A 17 -7.318 14.085 4.038 1.00 0.00 O ATOM 0 H GLU A 17 -5.098 10.240 0.943 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.914 12.832 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.757 10.846 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.584 10.547 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.083 13.326 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.354 12.306 2.457 1.00 0.00 H new ATOM 306 N ARG A 18 -4.323 10.296 3.144 1.00 0.00 N ATOM 307 CA ARG A 18 -3.540 9.635 4.233 1.00 0.00 C ATOM 308 C ARG A 18 -2.063 9.585 3.837 1.00 0.00 C ATOM 309 O ARG A 18 -1.726 9.603 2.668 1.00 0.00 O ATOM 310 CB ARG A 18 -4.098 8.208 4.443 1.00 0.00 C ATOM 311 CG ARG A 18 -3.759 7.683 5.861 1.00 0.00 C ATOM 312 CD ARG A 18 -4.539 8.474 6.946 1.00 0.00 C ATOM 313 NE ARG A 18 -3.593 9.427 7.599 1.00 0.00 N ATOM 314 CZ ARG A 18 -4.058 10.409 8.321 1.00 0.00 C ATOM 315 NH1 ARG A 18 -4.453 10.164 9.539 1.00 0.00 N ATOM 316 NH2 ARG A 18 -4.109 11.604 7.800 1.00 0.00 N ATOM 0 H ARG A 18 -4.112 9.952 2.207 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.628 10.196 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.179 8.212 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.680 7.536 3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.006 6.624 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.688 7.773 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.373 9.014 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.961 7.792 7.684 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.587 9.311 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.396 9.217 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.819 10.920 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.789 11.758 6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.469 12.385 8.349 1.00 0.00 H new ATOM 330 N GLU A 19 -1.227 9.530 4.842 1.00 0.00 N ATOM 331 CA GLU A 19 0.245 9.351 4.625 1.00 0.00 C ATOM 332 C GLU A 19 0.582 8.017 3.936 1.00 0.00 C ATOM 333 O GLU A 19 1.650 7.855 3.380 1.00 0.00 O ATOM 334 CB GLU A 19 0.945 9.431 5.994 1.00 0.00 C ATOM 335 CG GLU A 19 2.400 9.910 5.820 1.00 0.00 C ATOM 336 CD GLU A 19 3.228 9.434 7.027 1.00 0.00 C ATOM 337 OE1 GLU A 19 3.055 10.035 8.075 1.00 0.00 O ATOM 338 OE2 GLU A 19 3.987 8.497 6.838 1.00 0.00 O ATOM 0 H GLU A 19 -1.505 9.603 5.821 1.00 0.00 H new ATOM 0 HA GLU A 19 0.595 10.140 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.405 10.116 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.931 8.453 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.819 9.514 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.433 10.997 5.745 1.00 0.00 H new ATOM 345 N GLU A 20 -0.354 7.109 4.003 1.00 0.00 N ATOM 346 CA GLU A 20 -0.208 5.787 3.315 1.00 0.00 C ATOM 347 C GLU A 20 -0.336 5.941 1.789 1.00 0.00 C ATOM 348 O GLU A 20 0.271 5.199 1.042 1.00 0.00 O ATOM 349 CB GLU A 20 -1.299 4.842 3.849 1.00 0.00 C ATOM 350 CG GLU A 20 -0.787 4.153 5.130 1.00 0.00 C ATOM 351 CD GLU A 20 -1.976 3.507 5.868 1.00 0.00 C ATOM 352 OE1 GLU A 20 -2.459 2.511 5.352 1.00 0.00 O ATOM 353 OE2 GLU A 20 -2.336 4.043 6.905 1.00 0.00 O ATOM 0 H GLU A 20 -1.229 7.227 4.513 1.00 0.00 H new ATOM 0 HA GLU A 20 0.781 5.377 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.210 5.401 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.552 4.096 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.045 3.395 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.294 4.880 5.776 1.00 0.00 H new ATOM 360 N ASP A 21 -1.125 6.905 1.388 1.00 0.00 N ATOM 361 CA ASP A 21 -1.385 7.140 -0.069 1.00 0.00 C ATOM 362 C ASP A 21 -0.613 8.368 -0.555 1.00 0.00 C ATOM 363 O ASP A 21 -0.334 9.273 0.208 1.00 0.00 O ATOM 364 CB ASP A 21 -2.898 7.352 -0.271 1.00 0.00 C ATOM 365 CG ASP A 21 -3.584 5.978 -0.392 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.674 5.324 0.635 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.978 5.663 -1.504 1.00 0.00 O ATOM 0 H ASP A 21 -1.607 7.549 2.015 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.051 6.277 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.316 7.909 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.079 7.944 -1.168 1.00 0.00 H new ATOM 372 N ILE A 22 -0.297 8.340 -1.823 1.00 0.00 N ATOM 373 CA ILE A 22 0.392 9.496 -2.485 1.00 0.00 C ATOM 374 C ILE A 22 -0.504 10.123 -3.556 1.00 0.00 C ATOM 375 O ILE A 22 -1.566 9.625 -3.875 1.00 0.00 O ATOM 376 CB ILE A 22 1.722 9.007 -3.144 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.502 7.620 -3.835 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.839 8.908 -2.068 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.476 7.431 -5.014 1.00 0.00 C ATOM 0 H ILE A 22 -0.489 7.552 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 22 0.608 10.248 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 22 2.030 9.726 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.645 6.821 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.475 7.546 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.764 8.567 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.999 9.888 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.539 8.200 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.303 6.460 -5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.313 8.218 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.502 7.481 -4.650 1.00 0.00 H new ATOM 391 N ASP A 23 -0.005 11.214 -4.072 1.00 0.00 N ATOM 392 CA ASP A 23 -0.754 12.026 -5.076 1.00 0.00 C ATOM 393 C ASP A 23 -0.733 11.293 -6.421 1.00 0.00 C ATOM 394 O ASP A 23 0.303 10.820 -6.845 1.00 0.00 O ATOM 395 CB ASP A 23 -0.070 13.399 -5.184 1.00 0.00 C ATOM 396 CG ASP A 23 -0.003 14.025 -3.777 1.00 0.00 C ATOM 397 OD1 ASP A 23 -0.971 14.682 -3.428 1.00 0.00 O ATOM 398 OD2 ASP A 23 1.010 13.806 -3.130 1.00 0.00 O ATOM 0 H ASP A 23 0.914 11.586 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.793 12.166 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.932 13.291 -5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.627 14.047 -5.861 1.00 0.00 H new ATOM 403 N LEU A 24 -1.882 11.227 -7.043 1.00 0.00 N ATOM 404 CA LEU A 24 -2.019 10.502 -8.345 1.00 0.00 C ATOM 405 C LEU A 24 -2.647 11.419 -9.390 1.00 0.00 C ATOM 406 O LEU A 24 -3.595 12.127 -9.114 1.00 0.00 O ATOM 407 CB LEU A 24 -2.917 9.255 -8.170 1.00 0.00 C ATOM 408 CG LEU A 24 -2.339 8.278 -7.108 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.331 7.088 -6.917 1.00 0.00 C ATOM 410 CD2 LEU A 24 -0.928 7.754 -7.532 1.00 0.00 C ATOM 0 H LEU A 24 -2.744 11.650 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.026 10.194 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.918 9.566 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.014 8.739 -9.125 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.220 8.810 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.933 6.398 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.295 7.469 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.459 6.565 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.549 7.073 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.006 7.227 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.244 8.596 -7.639 1.00 0.00 H new ATOM 422 N HIS A 25 -2.085 11.369 -10.566 1.00 0.00 N ATOM 423 CA HIS A 25 -2.495 12.301 -11.660 1.00 0.00 C ATOM 424 C HIS A 25 -2.452 11.546 -12.989 1.00 0.00 C ATOM 425 O HIS A 25 -2.008 10.415 -13.046 1.00 0.00 O ATOM 426 CB HIS A 25 -1.535 13.544 -11.722 1.00 0.00 C ATOM 427 CG HIS A 25 -0.351 13.461 -10.756 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.402 13.285 -9.474 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.995 13.562 -11.034 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.800 13.275 -8.993 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.702 13.441 -9.924 1.00 0.00 N ATOM 0 H HIS A 25 -1.347 10.712 -10.821 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.505 12.662 -11.465 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.155 13.647 -12.739 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.108 14.445 -11.503 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.256 13.172 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.412 13.718 -12.018 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.030 13.145 -7.946 1.00 0.00 H new ATOM 439 N LEU A 26 -2.923 12.198 -14.021 1.00 0.00 N ATOM 440 CA LEU A 26 -2.932 11.567 -15.373 1.00 0.00 C ATOM 441 C LEU A 26 -1.493 11.384 -15.884 1.00 0.00 C ATOM 442 O LEU A 26 -0.584 12.057 -15.435 1.00 0.00 O ATOM 443 CB LEU A 26 -3.746 12.478 -16.323 1.00 0.00 C ATOM 444 CG LEU A 26 -5.276 12.287 -16.018 1.00 0.00 C ATOM 445 CD1 LEU A 26 -6.060 13.612 -16.271 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.859 11.121 -16.884 1.00 0.00 C ATOM 0 H LEU A 26 -3.303 13.144 -13.984 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.392 10.580 -15.329 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.460 13.521 -16.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.534 12.226 -17.362 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.390 12.026 -14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.117 13.457 -16.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.668 14.396 -15.623 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.944 13.910 -17.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.919 10.999 -16.663 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.733 11.355 -17.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.331 10.196 -16.651 1.00 0.00 H new ATOM 458 N GLY A 27 -1.339 10.470 -16.808 1.00 0.00 N ATOM 459 CA GLY A 27 0.020 10.113 -17.332 1.00 0.00 C ATOM 460 C GLY A 27 0.933 9.399 -16.326 1.00 0.00 C ATOM 461 O GLY A 27 1.980 8.910 -16.705 1.00 0.00 O ATOM 0 H GLY A 27 -2.107 9.947 -17.229 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.100 9.475 -18.208 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.515 11.024 -17.667 1.00 0.00 H new ATOM 465 N ASP A 28 0.524 9.357 -15.083 1.00 0.00 N ATOM 466 CA ASP A 28 1.296 8.589 -14.053 1.00 0.00 C ATOM 467 C ASP A 28 1.243 7.097 -14.407 1.00 0.00 C ATOM 468 O ASP A 28 0.182 6.584 -14.712 1.00 0.00 O ATOM 469 CB ASP A 28 0.668 8.802 -12.654 1.00 0.00 C ATOM 470 CG ASP A 28 0.837 10.260 -12.148 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.802 11.170 -12.963 1.00 0.00 O ATOM 472 OD2 ASP A 28 0.987 10.382 -10.944 1.00 0.00 O ATOM 0 H ASP A 28 -0.314 9.822 -14.734 1.00 0.00 H new ATOM 0 HA ASP A 28 2.329 8.938 -14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.393 8.554 -12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.130 8.117 -11.943 1.00 0.00 H new ATOM 477 N ILE A 29 2.383 6.445 -14.365 1.00 0.00 N ATOM 478 CA ILE A 29 2.433 4.969 -14.644 1.00 0.00 C ATOM 479 C ILE A 29 3.164 4.289 -13.507 1.00 0.00 C ATOM 480 O ILE A 29 4.337 4.533 -13.286 1.00 0.00 O ATOM 481 CB ILE A 29 3.183 4.666 -15.971 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.879 5.830 -16.905 1.00 0.00 C ATOM 483 CG2 ILE A 29 2.653 3.302 -16.544 1.00 0.00 C ATOM 484 CD1 ILE A 29 3.131 5.502 -18.374 1.00 0.00 C ATOM 0 H ILE A 29 3.284 6.872 -14.149 1.00 0.00 H new ATOM 0 HA ILE A 29 1.412 4.599 -14.735 1.00 0.00 H new ATOM 0 HB ILE A 29 4.261 4.569 -15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.838 6.127 -16.779 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.491 6.686 -16.620 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.169 3.074 -17.476 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.839 2.507 -15.822 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.582 3.378 -16.732 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.895 6.372 -18.987 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.178 5.233 -18.512 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.499 4.666 -18.674 1.00 0.00 H new ATOM 496 N LEU A 30 2.433 3.453 -12.821 1.00 0.00 N ATOM 497 CA LEU A 30 2.944 2.926 -11.539 1.00 0.00 C ATOM 498 C LEU A 30 3.509 1.522 -11.833 1.00 0.00 C ATOM 499 O LEU A 30 2.833 0.717 -12.449 1.00 0.00 O ATOM 500 CB LEU A 30 1.774 2.855 -10.525 1.00 0.00 C ATOM 501 CG LEU A 30 1.520 4.225 -9.805 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.149 5.339 -10.838 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.341 4.033 -8.811 1.00 0.00 C ATOM 0 H LEU A 30 1.510 3.118 -13.097 1.00 0.00 H new ATOM 0 HA LEU A 30 3.721 3.560 -11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.866 2.547 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.990 2.090 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 30 2.426 4.534 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.978 6.279 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.966 5.463 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.244 5.052 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.143 4.973 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.550 3.725 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.602 3.267 -8.081 1.00 0.00 H new ATOM 515 N THR A 31 4.722 1.277 -11.390 1.00 0.00 N ATOM 516 CA THR A 31 5.399 -0.051 -11.635 1.00 0.00 C ATOM 517 C THR A 31 5.386 -0.909 -10.359 1.00 0.00 C ATOM 518 O THR A 31 5.457 -0.380 -9.265 1.00 0.00 O ATOM 519 CB THR A 31 6.867 0.200 -12.089 1.00 0.00 C ATOM 520 OG1 THR A 31 6.773 1.081 -13.205 1.00 0.00 O ATOM 521 CG2 THR A 31 7.531 -1.085 -12.660 1.00 0.00 C ATOM 0 H THR A 31 5.283 1.946 -10.862 1.00 0.00 H new ATOM 0 HA THR A 31 4.858 -0.588 -12.414 1.00 0.00 H new ATOM 0 HB THR A 31 7.443 0.566 -11.239 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.672 1.281 -13.540 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.554 -0.862 -12.964 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.541 -1.861 -11.894 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.964 -1.435 -13.523 1.00 0.00 H new ATOM 529 N VAL A 32 5.294 -2.206 -10.555 1.00 0.00 N ATOM 530 CA VAL A 32 5.281 -3.185 -9.415 1.00 0.00 C ATOM 531 C VAL A 32 6.471 -4.154 -9.592 1.00 0.00 C ATOM 532 O VAL A 32 7.494 -3.773 -10.127 1.00 0.00 O ATOM 533 CB VAL A 32 3.902 -3.976 -9.418 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.599 -4.532 -7.979 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.726 -3.059 -9.889 1.00 0.00 C ATOM 0 H VAL A 32 5.226 -2.636 -11.477 1.00 0.00 H new ATOM 0 HA VAL A 32 5.378 -2.668 -8.460 1.00 0.00 H new ATOM 0 HB VAL A 32 3.990 -4.806 -10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.653 -5.073 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.399 -5.207 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.535 -3.703 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.796 -3.627 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.637 -2.207 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.925 -2.703 -10.900 1.00 0.00 H new ATOM 545 N ASN A 33 6.304 -5.373 -9.139 1.00 0.00 N ATOM 546 CA ASN A 33 7.345 -6.434 -9.305 1.00 0.00 C ATOM 547 C ASN A 33 7.254 -7.091 -10.692 1.00 0.00 C ATOM 548 O ASN A 33 6.373 -6.783 -11.469 1.00 0.00 O ATOM 549 CB ASN A 33 7.130 -7.469 -8.168 1.00 0.00 C ATOM 550 CG ASN A 33 7.779 -6.908 -6.893 1.00 0.00 C ATOM 551 OD1 ASN A 33 8.781 -7.407 -6.420 1.00 0.00 O ATOM 552 ND2 ASN A 33 7.241 -5.873 -6.306 1.00 0.00 N ATOM 0 H ASN A 33 5.466 -5.684 -8.648 1.00 0.00 H new ATOM 0 HA ASN A 33 8.344 -6.004 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.066 -7.646 -8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.577 -8.427 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.662 -5.491 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.400 -5.446 -6.695 1.00 0.00 H new ATOM 737 N GLU A 47 -3.369 -10.102 -11.932 1.00 0.00 N ATOM 738 CA GLU A 47 -2.419 -9.025 -12.389 1.00 0.00 C ATOM 739 C GLU A 47 -2.799 -8.431 -13.773 1.00 0.00 C ATOM 740 O GLU A 47 -1.957 -8.151 -14.606 1.00 0.00 O ATOM 741 CB GLU A 47 -0.998 -9.660 -12.405 1.00 0.00 C ATOM 742 CG GLU A 47 0.126 -8.591 -12.567 1.00 0.00 C ATOM 743 CD GLU A 47 1.121 -9.050 -13.657 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.877 -9.961 -13.358 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.069 -8.465 -14.726 1.00 0.00 O ATOM 0 HA GLU A 47 -2.462 -8.178 -11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.839 -10.213 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.933 -10.379 -13.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.309 -7.629 -12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.647 -8.450 -11.620 1.00 0.00 H new ATOM 752 N ALA A 48 -4.082 -8.261 -13.973 1.00 0.00 N ATOM 753 CA ALA A 48 -4.610 -7.835 -15.313 1.00 0.00 C ATOM 754 C ALA A 48 -6.007 -7.207 -15.217 1.00 0.00 C ATOM 755 O ALA A 48 -6.392 -6.460 -16.096 1.00 0.00 O ATOM 756 CB ALA A 48 -4.664 -9.065 -16.264 1.00 0.00 C ATOM 0 H ALA A 48 -4.797 -8.400 -13.259 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.933 -7.076 -15.705 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.047 -8.756 -17.237 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.662 -9.477 -16.383 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.321 -9.824 -15.840 1.00 0.00 H new ATOM 762 N LYS A 49 -6.718 -7.528 -14.165 1.00 0.00 N ATOM 763 CA LYS A 49 -8.058 -6.905 -13.908 1.00 0.00 C ATOM 764 C LYS A 49 -8.032 -6.174 -12.543 1.00 0.00 C ATOM 765 O LYS A 49 -8.429 -6.745 -11.546 1.00 0.00 O ATOM 766 CB LYS A 49 -9.135 -8.026 -13.908 1.00 0.00 C ATOM 767 CG LYS A 49 -9.505 -8.447 -15.355 1.00 0.00 C ATOM 768 CD LYS A 49 -8.631 -9.649 -15.803 1.00 0.00 C ATOM 769 CE LYS A 49 -8.846 -9.953 -17.302 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.287 -10.199 -17.598 1.00 0.00 N ATOM 0 H LYS A 49 -6.424 -8.205 -13.461 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.296 -6.178 -14.685 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.764 -8.891 -13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.027 -7.677 -13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.560 -8.716 -15.405 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.358 -7.608 -16.035 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.579 -9.429 -15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.881 -10.528 -15.209 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.486 -9.117 -17.901 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.259 -10.826 -17.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.382 -10.596 -18.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.674 -10.870 -16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.811 -9.302 -17.542 1.00 0.00 H new ATOM 784 N PRO A 50 -7.571 -4.936 -12.524 1.00 0.00 N ATOM 785 CA PRO A 50 -7.631 -4.079 -11.306 1.00 0.00 C ATOM 786 C PRO A 50 -9.065 -3.936 -10.773 1.00 0.00 C ATOM 787 O PRO A 50 -9.270 -3.654 -9.606 1.00 0.00 O ATOM 788 CB PRO A 50 -7.029 -2.723 -11.717 1.00 0.00 C ATOM 789 CG PRO A 50 -6.530 -2.863 -13.181 1.00 0.00 C ATOM 790 CD PRO A 50 -6.946 -4.256 -13.689 1.00 0.00 C ATOM 0 HA PRO A 50 -7.071 -4.524 -10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.775 -1.932 -11.639 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.207 -2.451 -11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.962 -2.083 -13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.447 -2.747 -13.228 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.648 -4.177 -14.519 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.083 -4.814 -14.052 1.00 0.00 H new ATOM 798 N GLU A 51 -10.001 -4.148 -11.663 1.00 0.00 N ATOM 799 CA GLU A 51 -11.450 -3.960 -11.351 1.00 0.00 C ATOM 800 C GLU A 51 -11.860 -4.800 -10.131 1.00 0.00 C ATOM 801 O GLU A 51 -12.534 -4.308 -9.246 1.00 0.00 O ATOM 802 CB GLU A 51 -12.286 -4.383 -12.575 1.00 0.00 C ATOM 803 CG GLU A 51 -11.817 -3.637 -13.843 1.00 0.00 C ATOM 804 CD GLU A 51 -12.737 -4.038 -15.010 1.00 0.00 C ATOM 805 OE1 GLU A 51 -13.749 -3.372 -15.161 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.378 -4.989 -15.688 1.00 0.00 O ATOM 0 H GLU A 51 -9.815 -4.452 -12.619 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.628 -2.910 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.198 -5.459 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.340 -4.172 -12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.853 -2.559 -13.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.782 -3.891 -14.071 1.00 0.00 H new ATOM 813 N GLU A 52 -11.431 -6.038 -10.126 1.00 0.00 N ATOM 814 CA GLU A 52 -11.804 -6.977 -9.018 1.00 0.00 C ATOM 815 C GLU A 52 -10.780 -6.918 -7.875 1.00 0.00 C ATOM 816 O GLU A 52 -11.116 -7.201 -6.741 1.00 0.00 O ATOM 817 CB GLU A 52 -11.886 -8.415 -9.584 1.00 0.00 C ATOM 818 CG GLU A 52 -10.563 -8.803 -10.305 1.00 0.00 C ATOM 819 CD GLU A 52 -10.548 -10.287 -10.736 1.00 0.00 C ATOM 820 OE1 GLU A 52 -11.019 -11.113 -9.969 1.00 0.00 O ATOM 821 OE2 GLU A 52 -10.052 -10.515 -11.829 1.00 0.00 O ATOM 0 H GLU A 52 -10.834 -6.443 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.772 -6.680 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.084 -9.118 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.720 -8.489 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.430 -8.170 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.720 -8.610 -9.642 1.00 0.00 H new ATOM 828 N ILE A 53 -9.563 -6.555 -8.205 1.00 0.00 N ATOM 829 CA ILE A 53 -8.501 -6.391 -7.155 1.00 0.00 C ATOM 830 C ILE A 53 -8.875 -5.239 -6.210 1.00 0.00 C ATOM 831 O ILE A 53 -9.589 -4.333 -6.596 1.00 0.00 O ATOM 832 CB ILE A 53 -7.132 -6.077 -7.832 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.781 -7.201 -8.846 1.00 0.00 C ATOM 834 CG2 ILE A 53 -6.009 -6.021 -6.750 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.624 -6.750 -9.769 1.00 0.00 C ATOM 0 H ILE A 53 -9.256 -6.364 -9.159 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.422 -7.317 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.205 -5.118 -8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.496 -8.107 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.658 -7.447 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.054 -5.801 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.240 -5.240 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.947 -6.982 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.389 -7.547 -10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.923 -5.857 -10.318 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.743 -6.527 -9.166 1.00 0.00 H new ATOM 847 N GLY A 54 -8.376 -5.318 -5.002 1.00 0.00 N ATOM 848 CA GLY A 54 -8.638 -4.248 -3.994 1.00 0.00 C ATOM 849 C GLY A 54 -7.560 -3.174 -4.109 1.00 0.00 C ATOM 850 O GLY A 54 -7.597 -2.339 -4.991 1.00 0.00 O ATOM 0 H GLY A 54 -7.793 -6.086 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.623 -3.811 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.641 -4.671 -2.989 1.00 0.00 H new ATOM 854 N TRP A 55 -6.628 -3.244 -3.200 1.00 0.00 N ATOM 855 CA TRP A 55 -5.528 -2.236 -3.139 1.00 0.00 C ATOM 856 C TRP A 55 -4.322 -2.714 -3.949 1.00 0.00 C ATOM 857 O TRP A 55 -4.050 -3.896 -4.040 1.00 0.00 O ATOM 858 CB TRP A 55 -5.154 -2.032 -1.660 1.00 0.00 C ATOM 859 CG TRP A 55 -6.123 -0.997 -1.082 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.319 -1.275 -0.488 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.936 0.344 -1.087 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.769 -0.078 -0.172 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.012 0.958 -0.492 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.893 1.108 -1.568 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.050 2.334 -0.374 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.930 2.477 -1.449 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.006 3.094 -0.853 1.00 0.00 C ATOM 0 H TRP A 55 -6.580 -3.969 -2.484 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.854 -1.290 -3.571 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.225 -2.972 -1.113 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.124 -1.687 -1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.781 -2.236 -0.319 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.665 0.045 0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.046 0.630 -2.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.898 2.813 0.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.110 3.071 -1.825 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.032 4.170 -0.761 1.00 0.00 H new ATOM 878 N LEU A 56 -3.648 -1.747 -4.513 1.00 0.00 N ATOM 879 CA LEU A 56 -2.426 -1.999 -5.336 1.00 0.00 C ATOM 880 C LEU A 56 -1.248 -1.314 -4.646 1.00 0.00 C ATOM 881 O LEU A 56 -1.265 -0.115 -4.461 1.00 0.00 O ATOM 882 CB LEU A 56 -2.599 -1.403 -6.758 1.00 0.00 C ATOM 883 CG LEU A 56 -3.660 -2.159 -7.602 1.00 0.00 C ATOM 884 CD1 LEU A 56 -3.771 -1.525 -9.025 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.270 -3.624 -7.757 1.00 0.00 C ATOM 0 H LEU A 56 -3.902 -0.762 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.257 -3.072 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.887 -0.355 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.641 -1.430 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.617 -2.084 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.518 -2.065 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.066 -0.480 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.806 -1.588 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.024 -4.140 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.304 -3.692 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.203 -4.089 -6.773 1.00 0.00 H new ATOM 897 N ASN A 57 -0.269 -2.097 -4.289 1.00 0.00 N ATOM 898 CA ASN A 57 1.005 -1.527 -3.732 1.00 0.00 C ATOM 899 C ASN A 57 2.065 -1.445 -4.841 1.00 0.00 C ATOM 900 O ASN A 57 2.390 -2.441 -5.461 1.00 0.00 O ATOM 901 CB ASN A 57 1.513 -2.431 -2.577 1.00 0.00 C ATOM 902 CG ASN A 57 1.286 -1.758 -1.211 1.00 0.00 C ATOM 903 OD1 ASN A 57 0.822 -2.377 -0.274 1.00 0.00 O ATOM 904 ND2 ASN A 57 1.598 -0.499 -1.055 1.00 0.00 N ATOM 0 H ASN A 57 -0.290 -3.115 -4.357 1.00 0.00 H new ATOM 0 HA ASN A 57 0.818 -0.524 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.995 -3.389 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.574 -2.639 -2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.451 -0.045 -0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.988 0.030 -1.835 1.00 0.00 H new ATOM 911 N GLY A 58 2.567 -0.252 -5.052 1.00 0.00 N ATOM 912 CA GLY A 58 3.623 -0.032 -6.093 1.00 0.00 C ATOM 913 C GLY A 58 4.350 1.306 -5.891 1.00 0.00 C ATOM 914 O GLY A 58 4.140 1.991 -4.908 1.00 0.00 O ATOM 0 H GLY A 58 2.288 0.587 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.345 -0.848 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.168 -0.053 -7.083 1.00 0.00 H new ATOM 918 N TYR A 59 5.188 1.623 -6.848 1.00 0.00 N ATOM 919 CA TYR A 59 6.077 2.832 -6.757 1.00 0.00 C ATOM 920 C TYR A 59 5.828 3.729 -7.977 1.00 0.00 C ATOM 921 O TYR A 59 5.862 3.267 -9.103 1.00 0.00 O ATOM 922 CB TYR A 59 7.581 2.404 -6.732 1.00 0.00 C ATOM 923 CG TYR A 59 7.728 0.980 -6.180 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.644 0.742 -4.824 1.00 0.00 C ATOM 925 CD2 TYR A 59 7.938 -0.079 -7.040 1.00 0.00 C ATOM 926 CE1 TYR A 59 7.768 -0.541 -4.332 1.00 0.00 C ATOM 927 CE2 TYR A 59 8.062 -1.362 -6.549 1.00 0.00 C ATOM 928 CZ TYR A 59 7.978 -1.601 -5.192 1.00 0.00 C ATOM 929 OH TYR A 59 8.101 -2.887 -4.704 1.00 0.00 O ATOM 0 H TYR A 59 5.298 1.085 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 59 5.849 3.372 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.996 2.454 -7.739 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.152 3.099 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.480 1.565 -4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.006 0.098 -8.103 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.700 -0.717 -3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.226 -2.184 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 59 8.244 -3.507 -5.449 1.00 0.00 H new ATOM 939 N ASN A 60 5.583 4.984 -7.699 1.00 0.00 N ATOM 940 CA ASN A 60 5.419 6.016 -8.771 1.00 0.00 C ATOM 941 C ASN A 60 6.774 6.716 -9.030 1.00 0.00 C ATOM 942 O ASN A 60 6.922 7.909 -8.833 1.00 0.00 O ATOM 943 CB ASN A 60 4.320 6.999 -8.276 1.00 0.00 C ATOM 944 CG ASN A 60 3.660 7.774 -9.428 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.801 7.469 -10.595 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.921 8.803 -9.120 1.00 0.00 N ATOM 0 H ASN A 60 5.487 5.346 -6.750 1.00 0.00 H new ATOM 0 HA ASN A 60 5.113 5.582 -9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.557 6.442 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.760 7.706 -7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.467 9.344 -9.856 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.796 9.067 -8.143 1.00 0.00 H new ATOM 953 N GLU A 61 7.724 5.919 -9.464 1.00 0.00 N ATOM 954 CA GLU A 61 9.067 6.430 -9.917 1.00 0.00 C ATOM 955 C GLU A 61 8.998 7.702 -10.792 1.00 0.00 C ATOM 956 O GLU A 61 9.881 8.533 -10.712 1.00 0.00 O ATOM 957 CB GLU A 61 9.796 5.319 -10.719 1.00 0.00 C ATOM 958 CG GLU A 61 10.087 4.091 -9.818 1.00 0.00 C ATOM 959 CD GLU A 61 11.109 3.151 -10.501 1.00 0.00 C ATOM 960 OE1 GLU A 61 12.285 3.473 -10.423 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.663 2.160 -11.062 1.00 0.00 O ATOM 0 H GLU A 61 7.624 4.906 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 61 9.608 6.699 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.184 5.016 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.730 5.709 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.475 4.422 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.162 3.550 -9.620 1.00 0.00 H new ATOM 968 N THR A 62 7.962 7.817 -11.591 1.00 0.00 N ATOM 969 CA THR A 62 7.767 9.045 -12.439 1.00 0.00 C ATOM 970 C THR A 62 7.770 10.332 -11.599 1.00 0.00 C ATOM 971 O THR A 62 8.475 11.271 -11.910 1.00 0.00 O ATOM 972 CB THR A 62 6.416 8.948 -13.199 1.00 0.00 C ATOM 973 OG1 THR A 62 5.416 8.712 -12.219 1.00 0.00 O ATOM 974 CG2 THR A 62 6.360 7.721 -14.140 1.00 0.00 C ATOM 0 H THR A 62 7.236 7.108 -11.695 1.00 0.00 H new ATOM 0 HA THR A 62 8.601 9.091 -13.140 1.00 0.00 H new ATOM 0 HB THR A 62 6.284 9.861 -13.780 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.383 7.755 -12.009 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.396 7.696 -14.649 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.159 7.792 -14.878 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.485 6.809 -13.556 1.00 0.00 H new ATOM 982 N THR A 63 6.978 10.324 -10.559 1.00 0.00 N ATOM 983 CA THR A 63 6.922 11.492 -9.619 1.00 0.00 C ATOM 984 C THR A 63 7.948 11.338 -8.485 1.00 0.00 C ATOM 985 O THR A 63 8.028 12.176 -7.606 1.00 0.00 O ATOM 986 CB THR A 63 5.495 11.591 -9.023 1.00 0.00 C ATOM 987 OG1 THR A 63 5.204 10.308 -8.484 1.00 0.00 O ATOM 988 CG2 THR A 63 4.441 11.832 -10.127 1.00 0.00 C ATOM 0 H THR A 63 6.359 9.551 -10.315 1.00 0.00 H new ATOM 0 HA THR A 63 7.163 12.400 -10.172 1.00 0.00 H new ATOM 0 HB THR A 63 5.461 12.405 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.479 10.385 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.451 11.897 -9.677 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.665 12.764 -10.647 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.463 11.006 -10.838 1.00 0.00 H new ATOM 996 N GLY A 64 8.705 10.267 -8.546 1.00 0.00 N ATOM 997 CA GLY A 64 9.752 10.003 -7.512 1.00 0.00 C ATOM 998 C GLY A 64 9.117 9.790 -6.135 1.00 0.00 C ATOM 999 O GLY A 64 9.688 10.145 -5.123 1.00 0.00 O ATOM 0 H GLY A 64 8.640 9.558 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.330 9.122 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.448 10.841 -7.471 1.00 0.00 H new ATOM 1003 N GLU A 65 7.945 9.210 -6.157 1.00 0.00 N ATOM 1004 CA GLU A 65 7.183 8.906 -4.906 1.00 0.00 C ATOM 1005 C GLU A 65 6.706 7.447 -4.969 1.00 0.00 C ATOM 1006 O GLU A 65 6.735 6.839 -6.020 1.00 0.00 O ATOM 1007 CB GLU A 65 5.987 9.876 -4.817 1.00 0.00 C ATOM 1008 CG GLU A 65 6.384 11.112 -3.972 1.00 0.00 C ATOM 1009 CD GLU A 65 5.259 12.179 -3.973 1.00 0.00 C ATOM 1010 OE1 GLU A 65 4.097 11.801 -3.903 1.00 0.00 O ATOM 1011 OE2 GLU A 65 5.634 13.338 -4.040 1.00 0.00 O ATOM 0 H GLU A 65 7.470 8.926 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 65 7.806 9.033 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.683 10.188 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.131 9.374 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.594 10.803 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.301 11.547 -4.369 1.00 0.00 H new ATOM 1018 N ARG A 66 6.286 6.927 -3.843 1.00 0.00 N ATOM 1019 CA ARG A 66 5.737 5.530 -3.795 1.00 0.00 C ATOM 1020 C ARG A 66 4.699 5.399 -2.679 1.00 0.00 C ATOM 1021 O ARG A 66 4.720 6.152 -1.724 1.00 0.00 O ATOM 1022 CB ARG A 66 6.891 4.531 -3.554 1.00 0.00 C ATOM 1023 CG ARG A 66 7.651 4.917 -2.269 1.00 0.00 C ATOM 1024 CD ARG A 66 8.711 3.851 -1.926 1.00 0.00 C ATOM 1025 NE ARG A 66 8.129 2.915 -0.916 1.00 0.00 N ATOM 1026 CZ ARG A 66 8.281 3.152 0.362 1.00 0.00 C ATOM 1027 NH1 ARG A 66 9.434 2.904 0.919 1.00 0.00 N ATOM 1028 NH2 ARG A 66 7.273 3.632 1.037 1.00 0.00 N ATOM 0 H ARG A 66 6.299 7.412 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 66 5.253 5.309 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.496 3.519 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.571 4.534 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.132 5.886 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.949 5.019 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.005 3.306 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.610 4.324 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 66 7.613 2.091 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.201 2.531 0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.569 3.083 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.386 3.816 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.372 3.823 2.034 1.00 0.00 H new ATOM 1042 N GLY A 67 3.826 4.439 -2.836 1.00 0.00 N ATOM 1043 CA GLY A 67 2.809 4.162 -1.776 1.00 0.00 C ATOM 1044 C GLY A 67 1.768 3.125 -2.219 1.00 0.00 C ATOM 1045 O GLY A 67 2.025 2.293 -3.071 1.00 0.00 O ATOM 0 H GLY A 67 3.772 3.833 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.313 3.806 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.303 5.090 -1.511 1.00 0.00 H new ATOM 1049 N ASP A 68 0.613 3.230 -1.608 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.536 2.323 -1.931 1.00 0.00 C ATOM 1051 C ASP A 68 -1.569 3.158 -2.692 1.00 0.00 C ATOM 1052 O ASP A 68 -1.663 4.353 -2.490 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.153 1.781 -0.613 1.00 0.00 C ATOM 1054 CG ASP A 68 -1.408 0.255 -0.683 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.835 -0.214 -1.725 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -1.154 -0.365 0.334 1.00 0.00 O ATOM 0 H ASP A 68 0.413 3.920 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.212 1.473 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.484 2.000 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.091 2.298 -0.411 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.308 2.497 -3.544 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.353 3.197 -4.353 1.00 0.00 C ATOM 1063 C PHE A 69 -4.449 2.190 -4.766 1.00 0.00 C ATOM 1064 O PHE A 69 -4.121 1.070 -5.108 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.693 3.821 -5.617 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.048 2.744 -6.513 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.888 2.094 -6.129 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.638 2.407 -7.716 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.329 1.124 -6.932 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.078 1.440 -8.519 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.920 0.792 -8.127 1.00 0.00 C ATOM 0 H PHE A 69 -2.233 1.494 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.808 3.990 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.444 4.367 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.935 4.543 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.417 2.349 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.544 2.905 -8.028 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.576 0.623 -6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.544 1.186 -9.459 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.484 0.030 -8.756 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.706 2.584 -4.724 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.835 1.666 -5.043 1.00 0.00 C ATOM 1083 C PRO A 70 -6.762 1.103 -6.474 1.00 0.00 C ATOM 1084 O PRO A 70 -6.077 1.652 -7.317 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.116 2.482 -4.821 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.689 3.923 -4.436 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.149 3.960 -4.364 1.00 0.00 C ATOM 0 HA PRO A 70 -6.802 0.786 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.726 2.491 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.722 2.038 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.053 4.638 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.122 4.205 -3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.741 4.698 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.808 4.234 -3.366 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.473 0.026 -6.691 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.436 -0.669 -8.014 1.00 0.00 C ATOM 1097 C GLY A 71 -8.547 -0.160 -8.964 1.00 0.00 C ATOM 1098 O GLY A 71 -8.917 -0.863 -9.883 1.00 0.00 O ATOM 0 H GLY A 71 -8.085 -0.407 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.462 -0.514 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.550 -1.742 -7.864 1.00 0.00 H new ATOM 1102 N THR A 72 -9.048 1.035 -8.727 1.00 0.00 N ATOM 1103 CA THR A 72 -10.201 1.584 -9.503 1.00 0.00 C ATOM 1104 C THR A 72 -9.765 2.589 -10.578 1.00 0.00 C ATOM 1105 O THR A 72 -10.193 2.514 -11.711 1.00 0.00 O ATOM 1106 CB THR A 72 -11.177 2.274 -8.523 1.00 0.00 C ATOM 1107 OG1 THR A 72 -10.423 2.795 -7.435 1.00 0.00 O ATOM 1108 CG2 THR A 72 -12.178 1.277 -7.891 1.00 0.00 C ATOM 0 H THR A 72 -8.692 1.665 -8.008 1.00 0.00 H new ATOM 0 HA THR A 72 -10.682 0.752 -10.017 1.00 0.00 H new ATOM 0 HB THR A 72 -11.717 3.034 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.542 3.767 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.842 1.810 -7.210 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.767 0.805 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.631 0.512 -7.339 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.923 3.497 -10.170 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.541 4.668 -11.041 1.00 0.00 C ATOM 1118 C TYR A 73 -7.256 4.358 -11.827 1.00 0.00 C ATOM 1119 O TYR A 73 -6.392 5.196 -11.993 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.319 5.931 -10.154 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.383 6.039 -9.051 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.732 6.065 -9.356 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -8.994 6.114 -7.729 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.672 6.164 -8.352 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -9.932 6.212 -6.727 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.277 6.240 -7.030 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.212 6.342 -6.019 1.00 0.00 O ATOM 0 H TYR A 73 -8.471 3.485 -9.256 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.349 4.855 -11.749 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.328 5.890 -9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.348 6.824 -10.778 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.051 6.007 -10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.944 6.096 -7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.723 6.182 -8.600 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.613 6.267 -5.697 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.755 6.384 -5.153 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.194 3.138 -12.290 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.979 2.602 -12.986 1.00 0.00 C ATOM 1139 C VAL A 74 -6.431 1.579 -14.034 1.00 0.00 C ATOM 1140 O VAL A 74 -7.460 0.944 -13.888 1.00 0.00 O ATOM 1141 CB VAL A 74 -5.024 1.891 -11.975 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.118 2.928 -11.235 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.833 1.012 -10.961 1.00 0.00 C ATOM 0 H VAL A 74 -7.958 2.467 -12.213 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.444 3.431 -13.449 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.370 1.226 -12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.463 2.406 -10.537 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.515 3.469 -11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.744 3.633 -10.687 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.144 0.528 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.525 1.643 -10.403 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.394 0.252 -11.505 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.629 1.462 -15.057 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.885 0.484 -16.152 1.00 0.00 C ATOM 1155 C GLU A 75 -4.578 -0.266 -16.403 1.00 0.00 C ATOM 1156 O GLU A 75 -3.616 0.308 -16.879 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.337 1.267 -17.400 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.283 0.403 -18.248 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.552 1.136 -19.573 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.466 1.944 -19.573 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -6.826 0.850 -20.511 1.00 0.00 O ATOM 0 H GLU A 75 -4.784 2.019 -15.182 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.666 -0.232 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.841 2.186 -17.100 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.469 1.558 -17.991 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.837 -0.573 -18.438 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.217 0.228 -17.715 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.584 -1.531 -16.069 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.412 -2.410 -16.367 1.00 0.00 C ATOM 1170 C TYR A 76 -3.070 -2.353 -17.862 1.00 0.00 C ATOM 1171 O TYR A 76 -3.913 -2.646 -18.687 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.757 -3.855 -15.965 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.571 -4.769 -16.310 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.393 -4.661 -15.604 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -2.658 -5.702 -17.328 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.323 -5.471 -15.895 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -1.583 -6.514 -17.622 1.00 0.00 C ATOM 1178 CZ TYR A 76 -0.408 -6.400 -16.905 1.00 0.00 C ATOM 1179 OH TYR A 76 0.671 -7.208 -17.190 1.00 0.00 O ATOM 0 H TYR A 76 -5.359 -1.998 -15.598 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.547 -2.064 -15.801 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.974 -3.907 -14.898 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.653 -4.188 -16.489 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.310 -3.931 -14.813 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.572 -5.795 -17.895 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.591 -5.378 -15.327 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.660 -7.242 -18.416 1.00 0.00 H new ATOM 0 HH TYR A 76 0.910 -7.728 -16.394 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.851 -1.977 -18.159 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.445 -1.824 -19.595 1.00 0.00 C ATOM 1191 C ILE A 77 -0.782 -3.105 -20.112 1.00 0.00 C ATOM 1192 O ILE A 77 -1.155 -3.595 -21.162 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.446 -0.625 -19.761 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.384 -0.367 -18.477 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.221 0.663 -20.140 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.628 0.475 -18.823 1.00 0.00 C ATOM 0 H ILE A 77 -1.122 -1.770 -17.476 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.347 -1.628 -20.175 1.00 0.00 H new ATOM 0 HB ILE A 77 0.248 -0.894 -20.557 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.225 0.153 -17.737 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.687 -1.315 -18.032 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.520 1.490 -20.253 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.751 0.506 -21.079 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.938 0.901 -19.354 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.209 0.654 -17.918 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.241 -0.062 -19.547 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.315 1.429 -19.248 1.00 0.00 H new ATOM 1208 N GLY A 78 0.172 -3.608 -19.370 1.00 0.00 N ATOM 1209 CA GLY A 78 0.799 -4.913 -19.745 1.00 0.00 C ATOM 1210 C GLY A 78 2.021 -5.251 -18.884 1.00 0.00 C ATOM 1211 O GLY A 78 2.281 -4.623 -17.875 1.00 0.00 O ATOM 0 H GLY A 78 0.543 -3.174 -18.525 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.060 -5.708 -19.647 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.096 -4.881 -20.793 1.00 0.00 H new ATOM 1215 N ARG A 79 2.721 -6.258 -19.346 1.00 0.00 N ATOM 1216 CA ARG A 79 4.006 -6.705 -18.718 1.00 0.00 C ATOM 1217 C ARG A 79 5.150 -6.618 -19.743 1.00 0.00 C ATOM 1218 O ARG A 79 4.970 -6.938 -20.901 1.00 0.00 O ATOM 1219 CB ARG A 79 3.841 -8.166 -18.218 1.00 0.00 C ATOM 1220 CG ARG A 79 3.268 -9.103 -19.334 1.00 0.00 C ATOM 1221 CD ARG A 79 1.792 -9.420 -19.046 1.00 0.00 C ATOM 1222 NE ARG A 79 1.289 -10.338 -20.113 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.132 -10.112 -20.678 1.00 0.00 C ATOM 1224 NH1 ARG A 79 -0.959 -10.235 -19.972 1.00 0.00 N ATOM 1225 NH2 ARG A 79 0.104 -9.764 -21.935 1.00 0.00 N ATOM 0 H ARG A 79 2.445 -6.807 -20.160 1.00 0.00 H new ATOM 0 HA ARG A 79 4.249 -6.058 -17.875 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.806 -8.547 -17.884 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.176 -8.181 -17.354 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.362 -8.622 -20.308 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.845 -10.027 -19.377 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.688 -9.885 -18.066 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.204 -8.502 -19.027 1.00 0.00 H new ATOM 0 HE ARG A 79 1.849 -11.141 -20.400 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.903 -10.505 -18.990 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.867 -10.061 -20.402 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.975 -9.673 -22.458 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.789 -9.583 -22.394 1.00 0.00 H new