USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0.0481 (180deg=0.0373) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.465 USER MOD Single : A 27 TYR OH : rot 100:sc= 0 USER MOD Single : A 28 SER OG : rot 28:sc= -0.275 USER MOD Single : A 29 THR OG1 : rot 148:sc= 0.327 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.35) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -25:sc= 1.12 USER MOD Single : A 36 THR OG1 : rot -119:sc= -0.422! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.145) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 59 THR OG1 : rot -151:sc= -0.215! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 177:sc= -5.38! USER MOD Single : A 68 ASN : amide:sc= -5.87 K(o=-5.9,f=-2.7) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 80:sc= -0.974 USER MOD Single : A 75 TYR OH : rot 123:sc= 1.16 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -20:sc= -0.0171 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.358 -10.319 7.765 1.00 0.00 N ATOM 103 CA PHE A 13 4.200 -9.957 6.367 1.00 0.00 C ATOM 104 C PHE A 13 5.177 -10.737 5.485 1.00 0.00 C ATOM 105 O PHE A 13 4.772 -11.359 4.504 1.00 0.00 O ATOM 106 CB PHE A 13 4.511 -8.463 6.254 1.00 0.00 C ATOM 107 CG PHE A 13 5.174 -8.063 4.935 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.528 -8.110 4.813 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.411 -7.661 3.884 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.144 -7.739 3.589 1.00 0.00 C ATOM 111 CE2 PHE A 13 5.027 -7.290 2.659 1.00 0.00 C ATOM 112 CZ PHE A 13 6.380 -7.337 2.537 1.00 0.00 C ATOM 0 HA PHE A 13 3.188 -10.188 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.585 -7.900 6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.163 -8.175 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.134 -8.430 5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.336 -7.624 3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.219 -7.776 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.420 -6.971 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.849 -7.055 1.606 1.00 0.00 H new ATOM 122 N ARG A 14 6.445 -10.677 5.865 1.00 0.00 N ATOM 123 CA ARG A 14 7.483 -11.370 5.121 1.00 0.00 C ATOM 124 C ARG A 14 7.200 -12.873 5.089 1.00 0.00 C ATOM 125 O ARG A 14 7.592 -13.563 4.150 1.00 0.00 O ATOM 126 CB ARG A 14 8.860 -11.130 5.743 1.00 0.00 C ATOM 127 CG ARG A 14 9.812 -12.286 5.428 1.00 0.00 C ATOM 128 CD ARG A 14 11.267 -11.881 5.678 1.00 0.00 C ATOM 129 NE ARG A 14 12.092 -13.085 5.924 1.00 0.00 N ATOM 130 CZ ARG A 14 13.440 -13.106 5.853 1.00 0.00 C ATOM 131 NH1 ARG A 14 14.127 -11.986 5.542 1.00 0.00 N ATOM 132 NH2 ARG A 14 14.076 -14.238 6.093 1.00 0.00 N ATOM 0 H ARG A 14 6.777 -10.159 6.679 1.00 0.00 H new ATOM 0 HA ARG A 14 7.482 -10.975 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.277 -10.197 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.761 -11.019 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.560 -13.148 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.689 -12.591 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.654 -11.334 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.324 -11.209 6.535 1.00 0.00 H new ATOM 0 HE ARG A 14 11.612 -13.953 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.628 -11.116 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.145 -12.010 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.549 -15.079 6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.094 -14.271 6.044 1.00 0.00 H new ATOM 146 N LYS A 15 6.521 -13.337 6.128 1.00 0.00 N ATOM 147 CA LYS A 15 6.181 -14.746 6.232 1.00 0.00 C ATOM 148 C LYS A 15 5.431 -15.179 4.970 1.00 0.00 C ATOM 149 O LYS A 15 5.872 -16.081 4.260 1.00 0.00 O ATOM 150 CB LYS A 15 5.413 -15.019 7.527 1.00 0.00 C ATOM 151 CG LYS A 15 4.417 -16.165 7.343 1.00 0.00 C ATOM 152 CD LYS A 15 2.988 -15.634 7.217 1.00 0.00 C ATOM 153 CE LYS A 15 2.102 -16.620 6.452 1.00 0.00 C ATOM 154 NZ LYS A 15 1.836 -17.822 7.273 1.00 0.00 N ATOM 0 H LYS A 15 6.197 -12.762 6.906 1.00 0.00 H new ATOM 0 HA LYS A 15 7.085 -15.352 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.114 -15.266 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.883 -14.118 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.676 -16.737 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.482 -16.848 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.572 -15.460 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.997 -14.673 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.161 -16.140 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.589 -16.909 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.234 -18.481 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.736 -18.288 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.352 -17.543 8.150 1.00 0.00 H new ATOM 168 N LYS A 16 4.310 -14.516 4.730 1.00 0.00 N ATOM 169 CA LYS A 16 3.494 -14.820 3.566 1.00 0.00 C ATOM 170 C LYS A 16 4.034 -14.056 2.356 1.00 0.00 C ATOM 171 O LYS A 16 3.932 -14.526 1.224 1.00 0.00 O ATOM 172 CB LYS A 16 2.018 -14.545 3.859 1.00 0.00 C ATOM 173 CG LYS A 16 1.114 -15.403 2.972 1.00 0.00 C ATOM 174 CD LYS A 16 1.117 -16.861 3.435 1.00 0.00 C ATOM 175 CE LYS A 16 0.447 -17.766 2.399 1.00 0.00 C ATOM 176 NZ LYS A 16 1.329 -18.905 2.058 1.00 0.00 N ATOM 0 H LYS A 16 3.947 -13.769 5.322 1.00 0.00 H new ATOM 0 HA LYS A 16 3.554 -15.881 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.807 -14.752 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.801 -13.490 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.097 -15.012 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.453 -15.345 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.142 -17.191 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.595 -16.945 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.501 -18.137 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.219 -17.193 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.859 -19.509 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.223 -18.547 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.525 -19.461 2.915 1.00 0.00 H new ATOM 190 N PHE A 17 4.598 -12.890 2.636 1.00 0.00 N ATOM 191 CA PHE A 17 5.154 -12.056 1.584 1.00 0.00 C ATOM 192 C PHE A 17 6.605 -12.441 1.289 1.00 0.00 C ATOM 193 O PHE A 17 7.404 -11.599 0.881 1.00 0.00 O ATOM 194 CB PHE A 17 5.115 -10.613 2.090 1.00 0.00 C ATOM 195 CG PHE A 17 3.721 -9.982 2.063 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.728 -10.493 2.838 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.476 -8.909 1.263 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.435 -9.907 2.813 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.182 -8.324 1.237 1.00 0.00 C ATOM 200 CZ PHE A 17 1.189 -8.835 2.013 1.00 0.00 C ATOM 0 H PHE A 17 4.682 -12.503 3.576 1.00 0.00 H new ATOM 0 HA PHE A 17 4.579 -12.181 0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.495 -10.586 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.789 -10.008 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.923 -11.345 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.265 -8.502 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.646 -10.313 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.987 -7.473 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.205 -8.390 1.994 1.00 0.00 H new ATOM 210 N LYS A 18 6.903 -13.714 1.507 1.00 0.00 N ATOM 211 CA LYS A 18 8.243 -14.220 1.269 1.00 0.00 C ATOM 212 C LYS A 18 8.850 -13.499 0.064 1.00 0.00 C ATOM 213 O LYS A 18 9.933 -13.858 -0.398 1.00 0.00 O ATOM 214 CB LYS A 18 8.224 -15.744 1.128 1.00 0.00 C ATOM 215 CG LYS A 18 9.403 -16.378 1.867 1.00 0.00 C ATOM 216 CD LYS A 18 10.624 -16.497 0.952 1.00 0.00 C ATOM 217 CE LYS A 18 11.843 -15.811 1.572 1.00 0.00 C ATOM 218 NZ LYS A 18 12.673 -15.180 0.522 1.00 0.00 N ATOM 0 H LYS A 18 6.238 -14.410 1.846 1.00 0.00 H new ATOM 0 HA LYS A 18 8.886 -14.010 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.288 -16.138 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.263 -16.016 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.656 -15.776 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.120 -17.365 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.847 -17.549 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.403 -16.048 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.518 -15.057 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.436 -16.540 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.408 -14.593 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.122 -15.919 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.073 -14.584 -0.083 1.00 0.00 H new ATOM 232 N TYR A 19 8.127 -12.495 -0.410 1.00 0.00 N ATOM 233 CA TYR A 19 8.581 -11.721 -1.553 1.00 0.00 C ATOM 234 C TYR A 19 9.858 -10.947 -1.218 1.00 0.00 C ATOM 235 O TYR A 19 9.875 -10.143 -0.287 1.00 0.00 O ATOM 236 CB TYR A 19 7.461 -10.725 -1.858 1.00 0.00 C ATOM 237 CG TYR A 19 7.957 -9.356 -2.329 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.773 -9.261 -3.438 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.587 -8.216 -1.645 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.239 -7.973 -3.881 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.054 -6.927 -2.088 1.00 0.00 C ATOM 242 CZ TYR A 19 8.857 -6.870 -3.184 1.00 0.00 C ATOM 243 OH TYR A 19 9.298 -5.653 -3.602 1.00 0.00 O ATOM 0 H TYR A 19 7.230 -12.200 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 19 8.801 -12.375 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.811 -11.148 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.853 -10.592 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.062 -10.153 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.948 -8.290 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.878 -7.885 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.773 -6.027 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 19 8.945 -4.956 -3.010 1.00 0.00 H new ATOM 253 N ASP A 20 10.896 -11.217 -1.996 1.00 0.00 N ATOM 254 CA ASP A 20 12.174 -10.556 -1.794 1.00 0.00 C ATOM 255 C ASP A 20 12.321 -9.418 -2.807 1.00 0.00 C ATOM 256 O ASP A 20 12.697 -9.649 -3.955 1.00 0.00 O ATOM 257 CB ASP A 20 13.336 -11.529 -2.004 1.00 0.00 C ATOM 258 CG ASP A 20 14.712 -10.873 -2.136 1.00 0.00 C ATOM 259 OD1 ASP A 20 14.999 -10.372 -3.245 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.447 -10.888 -1.125 1.00 0.00 O ATOM 0 H ASP A 20 10.878 -11.884 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 20 12.200 -10.178 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.362 -12.227 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.142 -12.115 -2.902 1.00 0.00 H new ATOM 265 N GLY A 21 12.017 -8.215 -2.344 1.00 0.00 N ATOM 266 CA GLY A 21 12.110 -7.041 -3.195 1.00 0.00 C ATOM 267 C GLY A 21 12.477 -5.799 -2.379 1.00 0.00 C ATOM 268 O GLY A 21 12.831 -5.906 -1.206 1.00 0.00 O ATOM 0 H GLY A 21 11.706 -8.028 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.860 -7.207 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.159 -6.879 -3.702 1.00 0.00 H new ATOM 272 N GLU A 22 12.379 -4.651 -3.032 1.00 0.00 N ATOM 273 CA GLU A 22 12.696 -3.391 -2.381 1.00 0.00 C ATOM 274 C GLU A 22 11.411 -2.649 -2.007 1.00 0.00 C ATOM 275 O GLU A 22 10.869 -1.893 -2.812 1.00 0.00 O ATOM 276 CB GLU A 22 13.590 -2.525 -3.270 1.00 0.00 C ATOM 277 CG GLU A 22 14.705 -1.868 -2.453 1.00 0.00 C ATOM 278 CD GLU A 22 14.176 -0.662 -1.675 1.00 0.00 C ATOM 279 OE1 GLU A 22 13.631 0.247 -2.338 1.00 0.00 O ATOM 280 OE2 GLU A 22 14.328 -0.675 -0.434 1.00 0.00 O ATOM 0 H GLU A 22 12.085 -4.566 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 22 13.248 -3.606 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.025 -3.137 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.990 -1.756 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.130 -2.595 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.510 -1.553 -3.117 1.00 0.00 H new ATOM 287 N ILE A 23 10.961 -2.890 -0.784 1.00 0.00 N ATOM 288 CA ILE A 23 9.750 -2.254 -0.294 1.00 0.00 C ATOM 289 C ILE A 23 9.991 -0.750 -0.152 1.00 0.00 C ATOM 290 O ILE A 23 10.713 -0.314 0.743 1.00 0.00 O ATOM 291 CB ILE A 23 9.278 -2.925 0.998 1.00 0.00 C ATOM 292 CG1 ILE A 23 7.896 -3.556 0.814 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.309 -1.942 2.170 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.663 -4.672 1.834 1.00 0.00 C ATOM 0 H ILE A 23 11.413 -3.517 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 23 8.937 -2.381 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 23 9.971 -3.732 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.126 -2.792 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.807 -3.957 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.969 -2.445 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.327 -1.582 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.653 -1.099 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.674 -5.104 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.420 -5.446 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.729 -4.263 2.842 1.00 0.00 H new ATOM 306 N ARG A 24 9.372 0.003 -1.050 1.00 0.00 N ATOM 307 CA ARG A 24 9.509 1.449 -1.036 1.00 0.00 C ATOM 308 C ARG A 24 8.292 2.105 -1.692 1.00 0.00 C ATOM 309 O ARG A 24 8.053 1.925 -2.885 1.00 0.00 O ATOM 310 CB ARG A 24 10.775 1.889 -1.774 1.00 0.00 C ATOM 311 CG ARG A 24 11.193 3.300 -1.354 1.00 0.00 C ATOM 312 CD ARG A 24 10.581 4.352 -2.281 1.00 0.00 C ATOM 313 NE ARG A 24 11.395 5.587 -2.252 1.00 0.00 N ATOM 314 CZ ARG A 24 12.674 5.661 -2.679 1.00 0.00 C ATOM 315 NH1 ARG A 24 13.296 4.569 -3.172 1.00 0.00 N ATOM 316 NH2 ARG A 24 13.307 6.817 -2.607 1.00 0.00 N ATOM 0 H ARG A 24 8.774 -0.362 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 24 9.579 1.765 0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.584 1.189 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.601 1.863 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.877 3.486 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.280 3.382 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.528 3.965 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.560 4.572 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 24 10.963 6.436 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.800 3.679 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.262 4.634 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.830 7.637 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.273 6.890 -2.925 1.00 0.00 H new ATOM 330 N VAL A 25 7.554 2.851 -0.883 1.00 0.00 N ATOM 331 CA VAL A 25 6.368 3.534 -1.369 1.00 0.00 C ATOM 332 C VAL A 25 6.780 4.612 -2.373 1.00 0.00 C ATOM 333 O VAL A 25 7.204 5.699 -1.983 1.00 0.00 O ATOM 334 CB VAL A 25 5.564 4.090 -0.191 1.00 0.00 C ATOM 335 CG1 VAL A 25 4.311 4.820 -0.679 1.00 0.00 C ATOM 336 CG2 VAL A 25 5.202 2.980 0.797 1.00 0.00 C ATOM 0 H VAL A 25 7.755 2.997 0.106 1.00 0.00 H new ATOM 0 HA VAL A 25 5.714 2.836 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 25 6.191 4.813 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.758 5.205 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.601 5.648 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.680 4.128 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.631 3.401 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.603 2.223 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.114 2.523 1.181 1.00 0.00 H new ATOM 346 N LEU A 26 6.642 4.274 -3.647 1.00 0.00 N ATOM 347 CA LEU A 26 6.995 5.200 -4.709 1.00 0.00 C ATOM 348 C LEU A 26 5.760 6.012 -5.103 1.00 0.00 C ATOM 349 O LEU A 26 5.829 7.234 -5.225 1.00 0.00 O ATOM 350 CB LEU A 26 7.638 4.452 -5.879 1.00 0.00 C ATOM 351 CG LEU A 26 8.660 5.242 -6.699 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.708 4.742 -8.144 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.383 6.745 -6.621 1.00 0.00 C ATOM 0 H LEU A 26 6.291 3.372 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 26 7.746 5.910 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.127 3.559 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.846 4.116 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 26 9.647 5.074 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.442 5.320 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.990 3.689 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.726 4.860 -8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.124 7.283 -7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.387 6.952 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.441 7.072 -5.583 1.00 0.00 H new ATOM 365 N TYR A 27 4.658 5.300 -5.292 1.00 0.00 N ATOM 366 CA TYR A 27 3.410 5.940 -5.670 1.00 0.00 C ATOM 367 C TYR A 27 2.286 5.563 -4.703 1.00 0.00 C ATOM 368 O TYR A 27 1.581 4.578 -4.918 1.00 0.00 O ATOM 369 CB TYR A 27 3.068 5.408 -7.063 1.00 0.00 C ATOM 370 CG TYR A 27 2.749 3.912 -7.097 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.775 2.988 -7.113 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.437 3.486 -7.111 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.475 1.580 -7.144 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.137 2.078 -7.143 1.00 0.00 C ATOM 375 CZ TYR A 27 2.171 1.194 -7.158 1.00 0.00 C ATOM 376 OH TYR A 27 1.887 -0.135 -7.188 1.00 0.00 O ATOM 0 H TYR A 27 4.604 4.287 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 27 3.514 7.025 -5.651 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.212 5.960 -7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.906 5.606 -7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.802 3.321 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.635 4.209 -7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.268 0.847 -7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.114 1.732 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 27 1.659 -0.441 -6.285 1.00 0.00 H new ATOM 386 N SER A 28 2.153 6.367 -3.658 1.00 0.00 N ATOM 387 CA SER A 28 1.126 6.130 -2.657 1.00 0.00 C ATOM 388 C SER A 28 -0.245 6.521 -3.211 1.00 0.00 C ATOM 389 O SER A 28 -0.523 7.702 -3.413 1.00 0.00 O ATOM 390 CB SER A 28 1.421 6.906 -1.372 1.00 0.00 C ATOM 391 OG SER A 28 0.304 6.915 -0.486 1.00 0.00 O ATOM 0 H SER A 28 2.739 7.183 -3.483 1.00 0.00 H new ATOM 0 HA SER A 28 1.123 5.067 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.280 6.461 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.694 7.931 -1.622 1.00 0.00 H new ATOM 0 HG SER A 28 -0.236 6.111 -0.633 1.00 0.00 H new ATOM 397 N THR A 29 -1.066 5.507 -3.441 1.00 0.00 N ATOM 398 CA THR A 29 -2.402 5.731 -3.968 1.00 0.00 C ATOM 399 C THR A 29 -3.403 5.910 -2.825 1.00 0.00 C ATOM 400 O THR A 29 -3.138 5.506 -1.694 1.00 0.00 O ATOM 401 CB THR A 29 -2.745 4.565 -4.898 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.705 5.110 -5.799 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.501 3.446 -4.180 1.00 0.00 C ATOM 0 H THR A 29 -0.832 4.529 -3.272 1.00 0.00 H new ATOM 0 HA THR A 29 -2.449 6.653 -4.547 1.00 0.00 H new ATOM 0 HB THR A 29 -1.828 4.164 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.617 4.676 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.720 2.644 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.889 3.057 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.434 3.838 -3.776 1.00 0.00 H new ATOM 411 N LYS A 30 -4.532 6.518 -3.160 1.00 0.00 N ATOM 412 CA LYS A 30 -5.574 6.756 -2.175 1.00 0.00 C ATOM 413 C LYS A 30 -6.699 5.739 -2.373 1.00 0.00 C ATOM 414 O LYS A 30 -7.088 5.451 -3.504 1.00 0.00 O ATOM 415 CB LYS A 30 -6.043 8.211 -2.233 1.00 0.00 C ATOM 416 CG LYS A 30 -4.852 9.169 -2.311 1.00 0.00 C ATOM 417 CD LYS A 30 -5.254 10.580 -1.877 1.00 0.00 C ATOM 418 CE LYS A 30 -5.579 11.455 -3.089 1.00 0.00 C ATOM 419 NZ LYS A 30 -6.912 11.111 -3.633 1.00 0.00 N ATOM 0 H LYS A 30 -4.748 6.853 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.186 6.610 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.687 8.355 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.641 8.439 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.046 8.805 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.467 9.194 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.121 10.529 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.445 11.032 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.557 12.506 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.819 11.318 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.250 11.886 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.843 10.238 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.580 10.967 -2.849 1.00 0.00 H new ATOM 433 N VAL A 31 -7.190 5.222 -1.256 1.00 0.00 N ATOM 434 CA VAL A 31 -8.263 4.243 -1.293 1.00 0.00 C ATOM 435 C VAL A 31 -9.563 4.933 -1.712 1.00 0.00 C ATOM 436 O VAL A 31 -9.804 6.083 -1.350 1.00 0.00 O ATOM 437 CB VAL A 31 -8.371 3.534 0.059 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.983 2.141 -0.100 1.00 0.00 C ATOM 439 CG2 VAL A 31 -7.008 3.459 0.749 1.00 0.00 C ATOM 0 H VAL A 31 -6.864 5.463 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.051 3.472 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.035 4.121 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.048 1.659 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.981 2.229 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.356 1.541 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.113 2.951 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.311 2.906 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.627 4.467 0.913 1.00 0.00 H new ATOM 449 N THR A 32 -10.366 4.201 -2.470 1.00 0.00 N ATOM 450 CA THR A 32 -11.635 4.727 -2.942 1.00 0.00 C ATOM 451 C THR A 32 -12.766 4.326 -1.993 1.00 0.00 C ATOM 452 O THR A 32 -12.532 3.639 -1.000 1.00 0.00 O ATOM 453 CB THR A 32 -11.845 4.240 -4.377 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.918 5.041 -4.863 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.390 2.811 -4.437 1.00 0.00 C ATOM 0 H THR A 32 -10.162 3.247 -2.769 1.00 0.00 H new ATOM 0 HA THR A 32 -11.632 5.817 -2.950 1.00 0.00 H new ATOM 0 HB THR A 32 -10.901 4.291 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.119 4.792 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.521 2.515 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.688 2.133 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.351 2.766 -3.924 1.00 0.00 H new ATOM 463 N THR A 33 -13.966 4.772 -2.332 1.00 0.00 N ATOM 464 CA THR A 33 -15.134 4.467 -1.522 1.00 0.00 C ATOM 465 C THR A 33 -15.648 3.061 -1.835 1.00 0.00 C ATOM 466 O THR A 33 -16.293 2.431 -0.998 1.00 0.00 O ATOM 467 CB THR A 33 -16.174 5.563 -1.762 1.00 0.00 C ATOM 468 OG1 THR A 33 -17.088 5.418 -0.678 1.00 0.00 O ATOM 469 CG2 THR A 33 -17.026 5.299 -3.005 1.00 0.00 C ATOM 0 H THR A 33 -14.155 5.342 -3.156 1.00 0.00 H new ATOM 0 HA THR A 33 -14.888 4.459 -0.460 1.00 0.00 H new ATOM 0 HB THR A 33 -15.671 6.525 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.796 6.092 -0.754 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.748 6.106 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.382 5.249 -3.883 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.556 4.353 -2.889 1.00 0.00 H new ATOM 477 N SER A 34 -15.345 2.610 -3.044 1.00 0.00 N ATOM 478 CA SER A 34 -15.768 1.290 -3.478 1.00 0.00 C ATOM 479 C SER A 34 -14.699 0.254 -3.124 1.00 0.00 C ATOM 480 O SER A 34 -14.732 -0.871 -3.620 1.00 0.00 O ATOM 481 CB SER A 34 -16.050 1.269 -4.981 1.00 0.00 C ATOM 482 OG SER A 34 -16.235 -0.057 -5.472 1.00 0.00 O ATOM 0 H SER A 34 -14.811 3.136 -3.736 1.00 0.00 H new ATOM 0 HA SER A 34 -16.693 1.040 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.941 1.861 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.222 1.740 -5.512 1.00 0.00 H new ATOM 0 HG SER A 34 -15.768 -0.690 -4.888 1.00 0.00 H new ATOM 488 N ILE A 35 -13.778 0.671 -2.268 1.00 0.00 N ATOM 489 CA ILE A 35 -12.701 -0.207 -1.842 1.00 0.00 C ATOM 490 C ILE A 35 -13.270 -1.303 -0.938 1.00 0.00 C ATOM 491 O ILE A 35 -14.437 -1.252 -0.555 1.00 0.00 O ATOM 492 CB ILE A 35 -11.575 0.602 -1.194 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.218 0.230 -1.793 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.592 0.445 0.328 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.393 -0.602 -0.809 1.00 0.00 C ATOM 0 H ILE A 35 -13.755 1.605 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.251 -0.704 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.744 1.657 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.365 -0.332 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.672 1.136 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.782 1.030 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.546 0.799 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.461 -0.606 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.433 -0.853 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.227 -0.028 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.931 -1.519 -0.567 1.00 0.00 H new ATOM 507 N THR A 36 -12.417 -2.267 -0.623 1.00 0.00 N ATOM 508 CA THR A 36 -12.820 -3.373 0.229 1.00 0.00 C ATOM 509 C THR A 36 -13.053 -2.887 1.660 1.00 0.00 C ATOM 510 O THR A 36 -12.130 -2.402 2.313 1.00 0.00 O ATOM 511 CB THR A 36 -11.753 -4.464 0.124 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.159 -5.441 1.078 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.386 -3.996 0.628 1.00 0.00 C ATOM 0 H THR A 36 -11.449 -2.305 -0.942 1.00 0.00 H new ATOM 0 HA THR A 36 -13.771 -3.796 -0.096 1.00 0.00 H new ATOM 0 HB THR A 36 -11.666 -4.788 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.460 -5.546 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.665 -4.808 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.053 -3.143 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.465 -3.703 1.675 1.00 0.00 H new ATOM 521 N SER A 37 -14.292 -3.033 2.107 1.00 0.00 N ATOM 522 CA SER A 37 -14.658 -2.614 3.449 1.00 0.00 C ATOM 523 C SER A 37 -15.149 -3.817 4.257 1.00 0.00 C ATOM 524 O SER A 37 -15.028 -3.839 5.481 1.00 0.00 O ATOM 525 CB SER A 37 -15.731 -1.525 3.413 1.00 0.00 C ATOM 526 OG SER A 37 -16.923 -1.927 4.083 1.00 0.00 O ATOM 0 H SER A 37 -15.055 -3.436 1.563 1.00 0.00 H new ATOM 0 HA SER A 37 -13.773 -2.198 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.343 -0.618 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.963 -1.279 2.377 1.00 0.00 H new ATOM 0 HG SER A 37 -17.583 -1.204 4.039 1.00 0.00 H new ATOM 532 N LYS A 38 -15.693 -4.789 3.539 1.00 0.00 N ATOM 533 CA LYS A 38 -16.203 -5.992 4.174 1.00 0.00 C ATOM 534 C LYS A 38 -15.210 -7.136 3.961 1.00 0.00 C ATOM 535 O LYS A 38 -14.869 -7.850 4.903 1.00 0.00 O ATOM 536 CB LYS A 38 -17.616 -6.303 3.675 1.00 0.00 C ATOM 537 CG LYS A 38 -17.575 -7.218 2.449 1.00 0.00 C ATOM 538 CD LYS A 38 -18.989 -7.574 1.984 1.00 0.00 C ATOM 539 CE LYS A 38 -19.346 -6.829 0.696 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.806 -7.778 -0.342 1.00 0.00 N ATOM 0 H LYS A 38 -15.792 -4.768 2.524 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.295 -5.845 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.190 -6.779 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.129 -5.375 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.036 -6.725 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.027 -8.129 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.062 -8.649 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.707 -7.322 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.127 -6.095 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.477 -6.279 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.323 -7.260 -1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.984 -8.256 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.435 -8.486 0.089 1.00 0.00 H new ATOM 554 N LYS A 39 -14.774 -7.275 2.717 1.00 0.00 N ATOM 555 CA LYS A 39 -13.827 -8.320 2.369 1.00 0.00 C ATOM 556 C LYS A 39 -12.480 -8.023 3.031 1.00 0.00 C ATOM 557 O LYS A 39 -11.907 -6.954 2.827 1.00 0.00 O ATOM 558 CB LYS A 39 -13.743 -8.483 0.850 1.00 0.00 C ATOM 559 CG LYS A 39 -14.008 -9.932 0.438 1.00 0.00 C ATOM 560 CD LYS A 39 -15.481 -10.298 0.634 1.00 0.00 C ATOM 561 CE LYS A 39 -16.351 -9.672 -0.457 1.00 0.00 C ATOM 562 NZ LYS A 39 -16.442 -10.573 -1.628 1.00 0.00 N ATOM 0 H LYS A 39 -15.059 -6.681 1.938 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.165 -9.283 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.468 -7.826 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.756 -8.177 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.731 -10.073 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.382 -10.602 1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.595 -11.382 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.817 -9.956 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.349 -9.473 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.931 -8.713 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.036 -10.133 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.490 -10.742 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.864 -11.478 -1.338 1.00 0.00 H new ATOM 576 N TRP A 40 -12.014 -8.988 3.809 1.00 0.00 N ATOM 577 CA TRP A 40 -10.745 -8.843 4.502 1.00 0.00 C ATOM 578 C TRP A 40 -10.057 -10.210 4.520 1.00 0.00 C ATOM 579 O TRP A 40 -10.664 -11.209 4.904 1.00 0.00 O ATOM 580 CB TRP A 40 -10.948 -8.258 5.901 1.00 0.00 C ATOM 581 CG TRP A 40 -11.459 -6.816 5.904 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.414 -6.281 6.677 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.002 -5.739 5.059 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.605 -4.944 6.393 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.718 -4.604 5.378 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.014 -5.726 4.057 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.524 -3.371 4.743 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.833 -4.486 3.432 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.546 -3.334 3.742 1.00 0.00 C ATOM 0 H TRP A 40 -12.492 -9.874 3.975 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.100 -8.135 3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.654 -8.884 6.447 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.002 -8.299 6.441 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.965 -6.828 7.428 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.274 -4.320 6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.441 -6.602 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.098 -2.496 5.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.087 -4.420 2.654 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.346 -2.414 3.213 1.00 0.00 H new ATOM 600 N GLY A 41 -8.800 -10.210 4.101 1.00 0.00 N ATOM 601 CA GLY A 41 -8.024 -11.438 4.064 1.00 0.00 C ATOM 602 C GLY A 41 -6.801 -11.340 4.978 1.00 0.00 C ATOM 603 O GLY A 41 -6.363 -10.243 5.321 1.00 0.00 O ATOM 0 H GLY A 41 -8.300 -9.379 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.648 -12.276 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.704 -11.640 3.042 1.00 0.00 H new ATOM 607 N THR A 42 -6.283 -12.503 5.346 1.00 0.00 N ATOM 608 CA THR A 42 -5.118 -12.563 6.213 1.00 0.00 C ATOM 609 C THR A 42 -3.957 -11.778 5.601 1.00 0.00 C ATOM 610 O THR A 42 -3.183 -11.146 6.319 1.00 0.00 O ATOM 611 CB THR A 42 -4.791 -14.036 6.464 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.450 -14.016 6.947 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.709 -14.846 5.169 1.00 0.00 C ATOM 0 H THR A 42 -6.649 -13.411 5.060 1.00 0.00 H new ATOM 0 HA THR A 42 -5.316 -12.091 7.175 1.00 0.00 H new ATOM 0 HB THR A 42 -5.549 -14.470 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.157 -14.932 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.475 -15.884 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.666 -14.799 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.928 -14.433 4.530 1.00 0.00 H new ATOM 621 N ARG A 43 -3.871 -11.842 4.281 1.00 0.00 N ATOM 622 CA ARG A 43 -2.817 -11.146 3.564 1.00 0.00 C ATOM 623 C ARG A 43 -3.327 -9.800 3.045 1.00 0.00 C ATOM 624 O ARG A 43 -2.631 -9.113 2.300 1.00 0.00 O ATOM 625 CB ARG A 43 -2.308 -11.979 2.386 1.00 0.00 C ATOM 626 CG ARG A 43 -0.995 -12.681 2.737 1.00 0.00 C ATOM 627 CD ARG A 43 -0.221 -13.061 1.474 1.00 0.00 C ATOM 628 NE ARG A 43 -0.769 -14.310 0.900 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.301 -14.896 -0.223 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.729 -14.349 -0.903 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.867 -16.011 -0.646 1.00 0.00 N ATOM 0 H ARG A 43 -4.515 -12.366 3.689 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.995 -10.983 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.058 -12.720 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.160 -11.336 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.384 -12.027 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.203 -13.576 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.286 -12.256 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.835 -13.193 1.711 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.549 -14.756 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.160 -13.487 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.076 -14.798 -1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.645 -16.417 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.526 -16.467 -1.492 1.00 0.00 H new ATOM 645 N ASP A 44 -4.540 -9.464 3.459 1.00 0.00 N ATOM 646 CA ASP A 44 -5.152 -8.212 3.046 1.00 0.00 C ATOM 647 C ASP A 44 -5.094 -7.214 4.204 1.00 0.00 C ATOM 648 O ASP A 44 -4.877 -7.600 5.351 1.00 0.00 O ATOM 649 CB ASP A 44 -6.622 -8.416 2.671 1.00 0.00 C ATOM 650 CG ASP A 44 -7.022 -7.862 1.302 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.911 -6.629 1.134 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.430 -8.685 0.454 1.00 0.00 O ATOM 0 H ASP A 44 -5.116 -10.037 4.076 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.606 -7.839 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.842 -9.483 2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.244 -7.946 3.433 1.00 0.00 H new ATOM 657 N LEU A 45 -5.291 -5.949 3.863 1.00 0.00 N ATOM 658 CA LEU A 45 -5.263 -4.892 4.859 1.00 0.00 C ATOM 659 C LEU A 45 -6.695 -4.561 5.286 1.00 0.00 C ATOM 660 O LEU A 45 -7.630 -4.710 4.500 1.00 0.00 O ATOM 661 CB LEU A 45 -4.482 -3.684 4.338 1.00 0.00 C ATOM 662 CG LEU A 45 -3.651 -2.924 5.374 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.461 -3.763 5.844 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.214 -1.561 4.834 1.00 0.00 C ATOM 0 H LEU A 45 -5.471 -5.632 2.910 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.732 -5.224 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.816 -4.022 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.188 -2.987 3.886 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.279 -2.738 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.887 -3.200 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.823 -4.687 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.824 -4.001 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.625 -1.042 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.610 -1.701 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.095 -0.967 4.589 1.00 0.00 H new ATOM 676 N GLN A 46 -6.821 -4.119 6.528 1.00 0.00 N ATOM 677 CA GLN A 46 -8.123 -3.766 7.068 1.00 0.00 C ATOM 678 C GLN A 46 -8.441 -2.300 6.770 1.00 0.00 C ATOM 679 O GLN A 46 -9.128 -1.640 7.548 1.00 0.00 O ATOM 680 CB GLN A 46 -8.188 -4.047 8.571 1.00 0.00 C ATOM 681 CG GLN A 46 -9.468 -3.474 9.181 1.00 0.00 C ATOM 682 CD GLN A 46 -9.933 -4.316 10.372 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.834 -3.919 11.521 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.443 -5.496 10.034 1.00 0.00 N ATOM 0 H GLN A 46 -6.043 -3.997 7.176 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.876 -4.387 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.147 -5.122 8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.319 -3.611 9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.294 -2.447 9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.253 -3.442 8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.496 -5.766 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.781 -6.131 10.757 1.00 0.00 H new ATOM 693 N VAL A 47 -7.926 -1.833 5.642 1.00 0.00 N ATOM 694 CA VAL A 47 -8.147 -0.456 5.232 1.00 0.00 C ATOM 695 C VAL A 47 -9.639 -0.240 4.972 1.00 0.00 C ATOM 696 O VAL A 47 -10.382 -1.198 4.765 1.00 0.00 O ATOM 697 CB VAL A 47 -7.274 -0.125 4.020 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.789 -0.274 4.358 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.653 -0.992 2.818 1.00 0.00 C ATOM 0 H VAL A 47 -7.356 -2.383 4.999 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.852 0.232 6.025 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.454 0.916 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.190 -0.033 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.531 0.405 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.587 -1.300 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.017 -0.736 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.516 -2.044 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.696 -0.815 2.556 1.00 0.00 H new ATOM 709 N LYS A 48 -10.033 1.025 4.990 1.00 0.00 N ATOM 710 CA LYS A 48 -11.423 1.380 4.758 1.00 0.00 C ATOM 711 C LYS A 48 -11.538 2.129 3.429 1.00 0.00 C ATOM 712 O LYS A 48 -10.559 2.695 2.944 1.00 0.00 O ATOM 713 CB LYS A 48 -11.984 2.155 5.951 1.00 0.00 C ATOM 714 CG LYS A 48 -13.005 1.313 6.720 1.00 0.00 C ATOM 715 CD LYS A 48 -12.307 0.293 7.622 1.00 0.00 C ATOM 716 CE LYS A 48 -11.283 0.975 8.532 1.00 0.00 C ATOM 717 NZ LYS A 48 -11.360 0.424 9.903 1.00 0.00 N ATOM 0 H LYS A 48 -9.414 1.817 5.162 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.037 0.483 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.171 2.444 6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.454 3.075 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.638 1.964 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.658 0.795 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.048 -0.228 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.810 -0.459 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.279 0.831 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.466 2.049 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.659 0.898 10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.313 0.583 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.163 -0.597 9.878 1.00 0.00 H new ATOM 731 N PRO A 49 -12.775 2.109 2.863 1.00 0.00 N ATOM 732 CA PRO A 49 -13.031 2.780 1.600 1.00 0.00 C ATOM 733 C PRO A 49 -13.105 4.296 1.789 1.00 0.00 C ATOM 734 O PRO A 49 -13.889 4.787 2.600 1.00 0.00 O ATOM 735 CB PRO A 49 -14.333 2.180 1.093 1.00 0.00 C ATOM 736 CG PRO A 49 -14.995 1.540 2.302 1.00 0.00 C ATOM 737 CD PRO A 49 -13.957 1.449 3.409 1.00 0.00 C ATOM 0 HA PRO A 49 -12.230 2.632 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.973 2.947 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.145 1.441 0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.849 2.133 2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.372 0.549 2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.302 1.943 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.746 0.412 3.670 1.00 0.00 H new ATOM 745 N GLY A 50 -12.278 4.996 1.027 1.00 0.00 N ATOM 746 CA GLY A 50 -12.239 6.447 1.100 1.00 0.00 C ATOM 747 C GLY A 50 -11.049 6.922 1.937 1.00 0.00 C ATOM 748 O GLY A 50 -10.981 8.090 2.318 1.00 0.00 O ATOM 0 H GLY A 50 -11.629 4.585 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.171 6.864 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.166 6.818 1.536 1.00 0.00 H new ATOM 752 N GLU A 51 -10.141 5.993 2.197 1.00 0.00 N ATOM 753 CA GLU A 51 -8.958 6.302 2.981 1.00 0.00 C ATOM 754 C GLU A 51 -7.731 6.405 2.072 1.00 0.00 C ATOM 755 O GLU A 51 -7.805 6.089 0.886 1.00 0.00 O ATOM 756 CB GLU A 51 -8.740 5.260 4.080 1.00 0.00 C ATOM 757 CG GLU A 51 -9.119 5.822 5.451 1.00 0.00 C ATOM 758 CD GLU A 51 -10.559 6.339 5.453 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.466 5.493 5.296 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.721 7.569 5.611 1.00 0.00 O ATOM 0 H GLU A 51 -10.201 5.026 1.878 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.109 7.266 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.337 4.373 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.696 4.947 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.006 5.047 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.438 6.631 5.717 1.00 0.00 H new ATOM 767 N SER A 52 -6.632 6.849 2.664 1.00 0.00 N ATOM 768 CA SER A 52 -5.391 6.998 1.922 1.00 0.00 C ATOM 769 C SER A 52 -4.259 6.263 2.643 1.00 0.00 C ATOM 770 O SER A 52 -4.064 6.443 3.844 1.00 0.00 O ATOM 771 CB SER A 52 -5.033 8.474 1.738 1.00 0.00 C ATOM 772 OG SER A 52 -5.729 9.311 2.657 1.00 0.00 O ATOM 0 H SER A 52 -6.575 7.110 3.648 1.00 0.00 H new ATOM 0 HA SER A 52 -5.529 6.560 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.959 8.606 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.269 8.780 0.719 1.00 0.00 H new ATOM 0 HG SER A 52 -5.472 10.245 2.508 1.00 0.00 H new ATOM 778 N LEU A 53 -3.543 5.451 1.880 1.00 0.00 N ATOM 779 CA LEU A 53 -2.436 4.689 2.431 1.00 0.00 C ATOM 780 C LEU A 53 -1.282 4.673 1.426 1.00 0.00 C ATOM 781 O LEU A 53 -1.466 5.018 0.260 1.00 0.00 O ATOM 782 CB LEU A 53 -2.903 3.294 2.852 1.00 0.00 C ATOM 783 CG LEU A 53 -1.839 2.391 3.480 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.303 2.996 4.779 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.375 0.973 3.687 1.00 0.00 C ATOM 0 H LEU A 53 -3.708 5.304 0.884 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.062 5.163 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.722 3.406 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.309 2.789 1.976 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.000 2.320 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.549 2.334 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.857 3.968 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.121 3.117 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.599 0.352 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.241 1.004 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.668 0.551 2.726 1.00 0.00 H new ATOM 797 N GLU A 54 -0.119 4.270 1.915 1.00 0.00 N ATOM 798 CA GLU A 54 1.065 4.205 1.074 1.00 0.00 C ATOM 799 C GLU A 54 1.019 2.959 0.189 1.00 0.00 C ATOM 800 O GLU A 54 0.708 1.867 0.663 1.00 0.00 O ATOM 801 CB GLU A 54 2.340 4.231 1.919 1.00 0.00 C ATOM 802 CG GLU A 54 2.974 5.623 1.913 1.00 0.00 C ATOM 803 CD GLU A 54 4.416 5.571 2.424 1.00 0.00 C ATOM 804 OE1 GLU A 54 4.633 4.875 3.439 1.00 0.00 O ATOM 805 OE2 GLU A 54 5.267 6.229 1.788 1.00 0.00 O ATOM 0 H GLU A 54 0.029 3.985 2.883 1.00 0.00 H new ATOM 0 HA GLU A 54 1.078 5.084 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.108 3.938 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.052 3.502 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.957 6.030 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.387 6.297 2.537 1.00 0.00 H new ATOM 812 N VAL A 55 1.333 3.163 -1.082 1.00 0.00 N ATOM 813 CA VAL A 55 1.331 2.069 -2.039 1.00 0.00 C ATOM 814 C VAL A 55 2.774 1.655 -2.336 1.00 0.00 C ATOM 815 O VAL A 55 3.616 2.500 -2.636 1.00 0.00 O ATOM 816 CB VAL A 55 0.554 2.472 -3.293 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.100 1.755 -4.530 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.943 2.206 -3.121 1.00 0.00 C ATOM 0 H VAL A 55 1.591 4.070 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 55 0.822 1.199 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 55 0.688 3.544 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.530 2.059 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.149 2.017 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.011 0.677 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.472 2.502 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.105 1.144 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.320 2.783 -2.276 1.00 0.00 H new ATOM 828 N ILE A 56 3.014 0.356 -2.242 1.00 0.00 N ATOM 829 CA ILE A 56 4.341 -0.180 -2.498 1.00 0.00 C ATOM 830 C ILE A 56 4.452 -0.574 -3.972 1.00 0.00 C ATOM 831 O ILE A 56 3.992 0.156 -4.849 1.00 0.00 O ATOM 832 CB ILE A 56 4.651 -1.324 -1.531 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.307 -0.935 -0.092 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.106 -1.780 -1.669 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.742 -2.025 0.890 1.00 0.00 C ATOM 0 H ILE A 56 2.313 -0.341 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 56 5.101 0.579 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 56 4.021 -2.173 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.798 0.005 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.234 -0.768 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.300 -2.594 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.284 -2.126 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.771 -0.946 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.486 -1.723 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.231 -2.957 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.819 -2.172 0.816 1.00 0.00 H new ATOM 847 N GLN A 57 5.065 -1.726 -4.199 1.00 0.00 N ATOM 848 CA GLN A 57 5.242 -2.225 -5.552 1.00 0.00 C ATOM 849 C GLN A 57 4.115 -3.195 -5.912 1.00 0.00 C ATOM 850 O GLN A 57 3.488 -3.779 -5.030 1.00 0.00 O ATOM 851 CB GLN A 57 6.610 -2.890 -5.716 1.00 0.00 C ATOM 852 CG GLN A 57 7.015 -2.956 -7.191 1.00 0.00 C ATOM 853 CD GLN A 57 8.527 -3.137 -7.337 1.00 0.00 C ATOM 854 OE1 GLN A 57 9.027 -4.222 -7.581 1.00 0.00 O ATOM 855 NE2 GLN A 57 9.224 -2.016 -7.174 1.00 0.00 N ATOM 0 H GLN A 57 5.445 -2.328 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 57 5.200 -1.379 -6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.359 -2.332 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.582 -3.896 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.498 -3.783 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.704 -2.043 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.742 -1.140 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.241 -2.032 -7.252 1.00 0.00 H new ATOM 864 N THR A 58 3.891 -3.337 -7.210 1.00 0.00 N ATOM 865 CA THR A 58 2.850 -4.226 -7.698 1.00 0.00 C ATOM 866 C THR A 58 3.213 -5.683 -7.405 1.00 0.00 C ATOM 867 O THR A 58 4.281 -6.151 -7.795 1.00 0.00 O ATOM 868 CB THR A 58 2.643 -3.939 -9.186 1.00 0.00 C ATOM 869 OG1 THR A 58 3.961 -3.737 -9.688 1.00 0.00 O ATOM 870 CG2 THR A 58 1.941 -2.602 -9.433 1.00 0.00 C ATOM 0 H THR A 58 4.413 -2.851 -7.939 1.00 0.00 H new ATOM 0 HA THR A 58 1.905 -4.049 -7.184 1.00 0.00 H new ATOM 0 HB THR A 58 2.058 -4.744 -9.632 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.920 -3.547 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.819 -2.448 -10.505 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.962 -2.611 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.541 -1.793 -9.016 1.00 0.00 H new ATOM 878 N THR A 59 2.302 -6.359 -6.719 1.00 0.00 N ATOM 879 CA THR A 59 2.513 -7.753 -6.369 1.00 0.00 C ATOM 880 C THR A 59 2.783 -8.584 -7.625 1.00 0.00 C ATOM 881 O THR A 59 3.921 -8.973 -7.883 1.00 0.00 O ATOM 882 CB THR A 59 1.295 -8.231 -5.575 1.00 0.00 C ATOM 883 OG1 THR A 59 1.559 -7.802 -4.242 1.00 0.00 O ATOM 884 CG2 THR A 59 1.225 -9.755 -5.469 1.00 0.00 C ATOM 0 H THR A 59 1.417 -5.967 -6.397 1.00 0.00 H new ATOM 0 HA THR A 59 3.396 -7.873 -5.742 1.00 0.00 H new ATOM 0 HB THR A 59 0.386 -7.859 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.128 -8.415 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.342 -10.040 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.164 -10.187 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.119 -10.126 -4.967 1.00 0.00 H new ATOM 892 N ASP A 60 1.718 -8.831 -8.373 1.00 0.00 N ATOM 893 CA ASP A 60 1.826 -9.608 -9.596 1.00 0.00 C ATOM 894 C ASP A 60 1.717 -8.672 -10.801 1.00 0.00 C ATOM 895 O ASP A 60 2.721 -8.135 -11.267 1.00 0.00 O ATOM 896 CB ASP A 60 0.700 -10.639 -9.695 1.00 0.00 C ATOM 897 CG ASP A 60 0.505 -11.253 -11.082 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.483 -11.849 -11.582 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.618 -11.112 -11.612 1.00 0.00 O ATOM 0 H ASP A 60 0.776 -8.507 -8.156 1.00 0.00 H new ATOM 0 HA ASP A 60 2.787 -10.123 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.899 -11.441 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.233 -10.166 -9.389 1.00 0.00 H new ATOM 904 N ASP A 61 0.490 -8.505 -11.271 1.00 0.00 N ATOM 905 CA ASP A 61 0.236 -7.643 -12.414 1.00 0.00 C ATOM 906 C ASP A 61 -0.679 -6.494 -11.987 1.00 0.00 C ATOM 907 O ASP A 61 -0.327 -5.326 -12.140 1.00 0.00 O ATOM 908 CB ASP A 61 -0.461 -8.410 -13.539 1.00 0.00 C ATOM 909 CG ASP A 61 0.475 -9.007 -14.592 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.034 -10.088 -14.307 1.00 0.00 O ATOM 911 OD2 ASP A 61 0.612 -8.367 -15.657 1.00 0.00 O ATOM 0 H ASP A 61 -0.340 -8.952 -10.881 1.00 0.00 H new ATOM 0 HA ASP A 61 1.195 -7.269 -12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.049 -9.215 -13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.161 -7.739 -14.036 1.00 0.00 H new ATOM 916 N THR A 62 -1.836 -6.866 -11.460 1.00 0.00 N ATOM 917 CA THR A 62 -2.805 -5.881 -11.010 1.00 0.00 C ATOM 918 C THR A 62 -3.031 -6.005 -9.501 1.00 0.00 C ATOM 919 O THR A 62 -4.103 -6.417 -9.062 1.00 0.00 O ATOM 920 CB THR A 62 -4.082 -6.064 -11.832 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.626 -6.620 -13.062 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.714 -4.731 -12.237 1.00 0.00 C ATOM 0 H THR A 62 -2.125 -7.836 -11.334 1.00 0.00 H new ATOM 0 HA THR A 62 -2.440 -4.866 -11.170 1.00 0.00 H new ATOM 0 HB THR A 62 -4.802 -6.647 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.391 -6.773 -13.655 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.617 -4.918 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.970 -4.163 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.006 -4.161 -12.839 1.00 0.00 H new ATOM 930 N LYS A 63 -2.002 -5.641 -8.750 1.00 0.00 N ATOM 931 CA LYS A 63 -2.075 -5.707 -7.300 1.00 0.00 C ATOM 932 C LYS A 63 -1.034 -4.760 -6.698 1.00 0.00 C ATOM 933 O LYS A 63 0.136 -4.798 -7.076 1.00 0.00 O ATOM 934 CB LYS A 63 -1.939 -7.154 -6.821 1.00 0.00 C ATOM 935 CG LYS A 63 -2.035 -7.238 -5.297 1.00 0.00 C ATOM 936 CD LYS A 63 -3.318 -7.953 -4.867 1.00 0.00 C ATOM 937 CE LYS A 63 -3.012 -9.354 -4.334 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.307 -10.377 -5.362 1.00 0.00 N ATOM 0 H LYS A 63 -1.114 -5.300 -9.118 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.052 -5.371 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.720 -7.765 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.984 -7.562 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.169 -7.770 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.014 -6.235 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.823 -7.370 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.001 -8.023 -5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.964 -9.417 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.605 -9.547 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.093 -11.322 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.313 -10.328 -5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.722 -10.202 -6.204 1.00 0.00 H new ATOM 952 N VAL A 64 -1.498 -3.933 -5.773 1.00 0.00 N ATOM 953 CA VAL A 64 -0.622 -2.979 -5.115 1.00 0.00 C ATOM 954 C VAL A 64 -0.647 -3.225 -3.606 1.00 0.00 C ATOM 955 O VAL A 64 -1.715 -3.252 -2.995 1.00 0.00 O ATOM 956 CB VAL A 64 -1.024 -1.552 -5.495 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.238 -1.426 -7.005 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.271 -1.111 -4.725 1.00 0.00 C ATOM 0 H VAL A 64 -2.469 -3.904 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 64 0.407 -3.113 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.206 -0.888 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.523 -0.402 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.314 -1.679 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.029 -2.107 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.536 -0.094 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.098 -1.781 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.068 -1.144 -3.655 1.00 0.00 H new ATOM 968 N LEU A 65 0.541 -3.400 -3.047 1.00 0.00 N ATOM 969 CA LEU A 65 0.669 -3.644 -1.620 1.00 0.00 C ATOM 970 C LEU A 65 0.800 -2.307 -0.888 1.00 0.00 C ATOM 971 O LEU A 65 1.719 -1.535 -1.158 1.00 0.00 O ATOM 972 CB LEU A 65 1.821 -4.612 -1.343 1.00 0.00 C ATOM 973 CG LEU A 65 2.744 -4.240 -0.181 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.230 -4.825 1.137 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.186 -4.661 -0.470 1.00 0.00 C ATOM 0 H LEU A 65 1.424 -3.378 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.226 -4.132 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.401 -5.598 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.424 -4.697 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 65 2.740 -3.155 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.904 -4.546 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.233 -4.435 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.186 -5.911 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.821 -4.385 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.227 -5.740 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.538 -4.158 -1.371 1.00 0.00 H new ATOM 987 N CYS A 66 -0.133 -2.073 0.023 1.00 0.00 N ATOM 988 CA CYS A 66 -0.133 -0.842 0.796 1.00 0.00 C ATOM 989 C CYS A 66 0.692 -1.071 2.064 1.00 0.00 C ATOM 990 O CYS A 66 0.886 -2.210 2.485 1.00 0.00 O ATOM 991 CB CYS A 66 -1.555 -0.376 1.116 1.00 0.00 C ATOM 992 SG CYS A 66 -2.557 -0.328 -0.414 1.00 0.00 S ATOM 0 H CYS A 66 -0.894 -2.715 0.243 1.00 0.00 H new ATOM 0 HA CYS A 66 0.318 -0.041 0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.013 -1.050 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.528 0.613 1.574 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.779 0.005 -0.122 1.00 0.00 H new ATOM 998 N ARG A 67 1.155 0.030 2.637 1.00 0.00 N ATOM 999 CA ARG A 67 1.954 -0.036 3.848 1.00 0.00 C ATOM 1000 C ARG A 67 1.471 1.004 4.861 1.00 0.00 C ATOM 1001 O ARG A 67 1.085 2.110 4.484 1.00 0.00 O ATOM 1002 CB ARG A 67 3.434 0.206 3.545 1.00 0.00 C ATOM 1003 CG ARG A 67 4.325 -0.667 4.431 1.00 0.00 C ATOM 1004 CD ARG A 67 5.650 0.035 4.737 1.00 0.00 C ATOM 1005 NE ARG A 67 6.477 0.112 3.512 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.314 1.132 3.227 1.00 0.00 C ATOM 1007 NH1 ARG A 67 7.443 2.172 4.079 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.005 1.098 2.102 1.00 0.00 N ATOM 0 H ARG A 67 0.992 0.973 2.285 1.00 0.00 H new ATOM 0 HA ARG A 67 1.839 -1.036 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.634 -0.011 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.674 1.257 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.806 -0.895 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.519 -1.617 3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.460 1.037 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.187 -0.508 5.515 1.00 0.00 H new ATOM 0 HE ARG A 67 6.410 -0.653 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.906 2.191 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.078 2.939 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.902 0.309 1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.642 1.861 1.871 1.00 0.00 H new ATOM 1022 N ASN A 68 1.507 0.613 6.126 1.00 0.00 N ATOM 1023 CA ASN A 68 1.078 1.498 7.195 1.00 0.00 C ATOM 1024 C ASN A 68 2.237 1.714 8.170 1.00 0.00 C ATOM 1025 O ASN A 68 3.002 0.790 8.444 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.090 0.892 7.976 1.00 0.00 C ATOM 1027 CG ASN A 68 0.071 -0.623 8.116 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.545 -1.406 7.413 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.932 -0.990 9.061 1.00 0.00 N ATOM 0 H ASN A 68 1.827 -0.305 6.435 1.00 0.00 H new ATOM 0 HA ASN A 68 0.762 2.440 6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.147 1.348 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.028 1.116 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.110 -1.980 9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.415 -0.282 9.614 1.00 0.00 H new ATOM 1036 N GLU A 69 2.330 2.938 8.667 1.00 0.00 N ATOM 1037 CA GLU A 69 3.384 3.287 9.606 1.00 0.00 C ATOM 1038 C GLU A 69 3.328 2.370 10.830 1.00 0.00 C ATOM 1039 O GLU A 69 4.240 2.377 11.656 1.00 0.00 O ATOM 1040 CB GLU A 69 3.288 4.757 10.017 1.00 0.00 C ATOM 1041 CG GLU A 69 2.257 4.949 11.131 1.00 0.00 C ATOM 1042 CD GLU A 69 1.763 6.396 11.178 1.00 0.00 C ATOM 1043 OE1 GLU A 69 2.634 7.292 11.208 1.00 0.00 O ATOM 1044 OE2 GLU A 69 0.526 6.574 11.183 1.00 0.00 O ATOM 0 H GLU A 69 1.693 3.701 8.438 1.00 0.00 H new ATOM 0 HA GLU A 69 4.346 3.145 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.263 5.108 10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.013 5.362 9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.413 4.278 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.699 4.681 12.091 1.00 0.00 H new ATOM 1051 N GLU A 70 2.250 1.605 10.908 1.00 0.00 N ATOM 1052 CA GLU A 70 2.064 0.685 12.017 1.00 0.00 C ATOM 1053 C GLU A 70 3.193 -0.347 12.047 1.00 0.00 C ATOM 1054 O GLU A 70 3.318 -1.108 13.005 1.00 0.00 O ATOM 1055 CB GLU A 70 0.698 0.000 11.938 1.00 0.00 C ATOM 1056 CG GLU A 70 0.046 -0.085 13.320 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.374 1.301 13.814 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.882 2.073 12.973 1.00 0.00 O ATOM 1059 OE2 GLU A 70 -0.177 1.557 15.021 1.00 0.00 O ATOM 0 H GLU A 70 1.496 1.603 10.221 1.00 0.00 H new ATOM 0 HA GLU A 70 2.095 1.256 12.945 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.049 0.553 11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.813 -1.002 11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.825 -0.739 13.276 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.744 -0.532 14.028 1.00 0.00 H new ATOM 1066 N GLY A 71 3.988 -0.338 10.987 1.00 0.00 N ATOM 1067 CA GLY A 71 5.103 -1.263 10.879 1.00 0.00 C ATOM 1068 C GLY A 71 4.652 -2.600 10.287 1.00 0.00 C ATOM 1069 O GLY A 71 5.377 -3.590 10.358 1.00 0.00 O ATOM 0 H GLY A 71 3.882 0.296 10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.881 -0.828 10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.541 -1.427 11.864 1.00 0.00 H new ATOM 1073 N LYS A 72 3.456 -2.584 9.717 1.00 0.00 N ATOM 1074 CA LYS A 72 2.899 -3.783 9.113 1.00 0.00 C ATOM 1075 C LYS A 72 2.522 -3.488 7.660 1.00 0.00 C ATOM 1076 O LYS A 72 2.301 -2.335 7.293 1.00 0.00 O ATOM 1077 CB LYS A 72 1.737 -4.316 9.954 1.00 0.00 C ATOM 1078 CG LYS A 72 1.477 -5.794 9.655 1.00 0.00 C ATOM 1079 CD LYS A 72 0.119 -5.986 8.978 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.164 -7.469 8.729 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.523 -7.822 9.197 1.00 0.00 N ATOM 0 H LYS A 72 2.857 -1.760 9.661 1.00 0.00 H new ATOM 0 HA LYS A 72 3.641 -4.581 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.962 -4.190 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.838 -3.736 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.266 -6.183 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.510 -6.367 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.667 -5.562 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.100 -5.445 8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.070 -7.690 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.576 -8.079 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.699 -8.832 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.600 -7.630 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.226 -7.253 8.683 1.00 0.00 H new ATOM 1095 N TYR A 73 2.461 -4.551 6.871 1.00 0.00 N ATOM 1096 CA TYR A 73 2.115 -4.421 5.466 1.00 0.00 C ATOM 1097 C TYR A 73 0.846 -5.210 5.138 1.00 0.00 C ATOM 1098 O TYR A 73 0.402 -6.036 5.934 1.00 0.00 O ATOM 1099 CB TYR A 73 3.288 -5.019 4.686 1.00 0.00 C ATOM 1100 CG TYR A 73 4.583 -4.211 4.792 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.162 -3.994 6.026 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.172 -3.700 3.653 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.380 -3.234 6.125 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.390 -2.939 3.753 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.934 -2.743 4.984 1.00 0.00 C ATOM 1106 OH TYR A 73 8.085 -2.025 5.078 1.00 0.00 O ATOM 0 H TYR A 73 2.645 -5.506 7.178 1.00 0.00 H new ATOM 0 HA TYR A 73 1.931 -3.377 5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.473 -6.031 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.008 -5.101 3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.701 -4.394 6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.719 -3.871 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.844 -3.057 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.861 -2.533 2.870 1.00 0.00 H new ATOM 0 HH TYR A 73 8.846 -2.636 5.167 1.00 0.00 H new ATOM 1116 N GLY A 74 0.297 -4.926 3.966 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.913 -5.598 3.524 1.00 0.00 C ATOM 1118 C GLY A 74 -1.048 -5.539 2.001 1.00 0.00 C ATOM 1119 O GLY A 74 -0.450 -4.681 1.354 1.00 0.00 O ATOM 0 H GLY A 74 0.668 -4.240 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.896 -6.638 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.782 -5.132 3.988 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.837 -6.463 1.473 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.057 -6.527 0.038 1.00 0.00 C ATOM 1125 C TYR A 75 -3.437 -5.977 -0.330 1.00 0.00 C ATOM 1126 O TYR A 75 -4.354 -5.993 0.490 1.00 0.00 O ATOM 1127 CB TYR A 75 -1.998 -8.011 -0.332 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.583 -8.529 -0.600 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.285 -7.793 -1.381 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.175 -9.731 -0.060 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.616 -8.281 -1.633 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.156 -10.219 -0.312 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.986 -9.470 -1.086 1.00 0.00 C ATOM 1134 OH TYR A 75 3.243 -9.930 -1.324 1.00 0.00 O ATOM 0 H TYR A 75 -2.332 -7.173 2.013 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.311 -5.934 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.441 -8.594 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.609 -8.179 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.034 -6.851 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.854 -10.306 0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.305 -7.716 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.488 -11.159 0.104 1.00 0.00 H new ATOM 0 HH TYR A 75 3.705 -10.074 -0.472 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.541 -5.504 -1.563 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.793 -4.950 -2.049 1.00 0.00 C ATOM 1146 C VAL A 76 -5.010 -5.387 -3.499 1.00 0.00 C ATOM 1147 O VAL A 76 -4.149 -5.173 -4.351 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.795 -3.430 -1.876 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.224 -2.885 -1.835 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.016 -3.020 -0.625 1.00 0.00 C ATOM 0 H VAL A 76 -2.778 -5.493 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.631 -5.331 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.295 -2.994 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.197 -1.802 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.734 -3.131 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.760 -3.333 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.033 -1.935 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.475 -3.472 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.984 -3.360 -0.711 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.165 -5.992 -3.735 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.506 -6.460 -5.067 1.00 0.00 C ATOM 1162 C LEU A 77 -6.934 -5.270 -5.928 1.00 0.00 C ATOM 1163 O LEU A 77 -7.571 -4.341 -5.436 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.554 -7.573 -4.992 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.373 -8.733 -5.973 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.672 -9.524 -6.133 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.836 -8.235 -7.317 1.00 0.00 C ATOM 0 H LEU A 77 -6.876 -6.169 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.635 -6.905 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.555 -7.977 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.536 -7.132 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.630 -9.416 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.515 -10.343 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.973 -9.928 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.454 -8.866 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.716 -9.079 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.538 -7.520 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.871 -7.751 -7.166 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.565 -5.337 -7.199 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.902 -4.276 -8.133 1.00 0.00 C ATOM 1181 C ARG A 78 -8.417 -4.063 -8.170 1.00 0.00 C ATOM 1182 O ARG A 78 -8.887 -2.988 -8.537 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.406 -4.605 -9.543 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.043 -5.895 -10.061 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.589 -5.707 -11.478 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.018 -6.087 -11.525 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.031 -5.271 -11.163 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.779 -4.020 -10.723 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.271 -5.715 -11.245 1.00 0.00 N ATOM 0 H ARG A 78 -6.036 -6.109 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.411 -3.365 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.643 -3.782 -10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.321 -4.708 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.305 -6.697 -10.055 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.850 -6.200 -9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.470 -4.669 -11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.019 -6.316 -12.180 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.253 -7.024 -11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.818 -3.685 -10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.550 -3.410 -10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.453 -6.662 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.048 -5.111 -10.975 1.00 0.00 H new ATOM 1203 N SER A 79 -9.139 -5.105 -7.784 1.00 0.00 N ATOM 1204 CA SER A 79 -10.590 -5.046 -7.768 1.00 0.00 C ATOM 1205 C SER A 79 -11.054 -3.783 -7.040 1.00 0.00 C ATOM 1206 O SER A 79 -11.743 -2.945 -7.621 1.00 0.00 O ATOM 1207 CB SER A 79 -11.185 -6.289 -7.105 1.00 0.00 C ATOM 1208 OG SER A 79 -12.363 -6.738 -7.771 1.00 0.00 O ATOM 0 H SER A 79 -8.745 -5.995 -7.480 1.00 0.00 H new ATOM 0 HA SER A 79 -10.942 -5.014 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.444 -7.088 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.419 -6.067 -6.064 1.00 0.00 H new ATOM 0 HG SER A 79 -12.711 -7.534 -7.318 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.658 -3.685 -5.780 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.025 -2.538 -4.966 1.00 0.00 C ATOM 1216 C TYR A 80 -9.783 -1.766 -4.516 1.00 0.00 C ATOM 1217 O TYR A 80 -9.328 -1.921 -3.384 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.734 -3.104 -3.734 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.004 -4.280 -3.082 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -9.967 -4.047 -2.201 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.382 -5.575 -3.375 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.281 -5.154 -1.588 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.696 -6.682 -2.761 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.679 -6.417 -1.897 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.030 -7.462 -1.318 1.00 0.00 O ATOM 0 H TYR A 80 -10.086 -4.381 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.655 -1.852 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.851 -2.309 -2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.736 -3.425 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.670 -3.034 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.193 -5.758 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.468 -4.985 -0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.982 -7.700 -2.981 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.154 -7.164 -0.995 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.270 -0.951 -5.425 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.090 -0.154 -5.136 1.00 0.00 C ATOM 1237 C LEU A 81 -7.944 0.938 -6.198 1.00 0.00 C ATOM 1238 O LEU A 81 -8.186 0.696 -7.379 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.858 -1.051 -5.002 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.518 -0.408 -5.366 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.287 -0.441 -6.878 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.419 1.011 -4.802 1.00 0.00 C ATOM 0 H LEU A 81 -9.650 -0.825 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.196 0.349 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.801 -1.405 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.001 -1.928 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.722 -0.993 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.328 0.022 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.284 -1.475 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.085 0.106 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.457 1.445 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.223 1.623 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.507 0.978 -3.716 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.548 2.116 -5.739 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.367 3.246 -6.634 1.00 0.00 C ATOM 1256 C ALA A 82 -6.423 2.844 -7.769 1.00 0.00 C ATOM 1257 O ALA A 82 -5.823 1.771 -7.733 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.849 4.448 -5.842 1.00 0.00 C ATOM 0 H ALA A 82 -7.347 2.312 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.317 3.537 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.713 5.295 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.569 4.711 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.895 4.195 -5.380 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.319 3.729 -8.751 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.458 3.480 -9.894 1.00 0.00 C ATOM 1266 C ASP A 83 -4.034 3.209 -9.405 1.00 0.00 C ATOM 1267 O ASP A 83 -3.550 3.876 -8.492 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.415 4.693 -10.825 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.773 5.337 -11.112 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.388 5.822 -10.139 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -7.166 5.328 -12.299 1.00 0.00 O ATOM 0 H ASP A 83 -6.817 4.619 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.857 2.623 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.759 5.445 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.966 4.390 -11.771 1.00 0.00 H new