USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 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 11 TYR OH : rot -107:sc= 0.0799 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 140:sc= 0.00731 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.27) USER MOD Single : A 21 ASN : amide:sc= -3.11! K(o=-3.1!,f=-1.4) USER MOD Single : A 28 SER OG : rot 62:sc= 1.18 USER MOD Single : A 45 THR OG1 : rot -60:sc= 0.221 USER MOD Single : A 49 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.13) USER MOD Single : A 51 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 2.014 8.419 -0.474 1.00 0.00 N ATOM 94 CA GLU A 10 1.932 7.635 -1.700 1.00 0.00 C ATOM 95 C GLU A 10 2.189 6.157 -1.419 1.00 0.00 C ATOM 96 O GLU A 10 3.059 5.808 -0.621 1.00 0.00 O ATOM 97 CB GLU A 10 2.939 8.151 -2.730 1.00 0.00 C ATOM 98 CG GLU A 10 2.448 9.360 -3.509 1.00 0.00 C ATOM 99 CD GLU A 10 3.583 10.210 -4.045 1.00 0.00 C ATOM 100 OE1 GLU A 10 4.694 10.144 -3.478 1.00 0.00 O ATOM 101 OE2 GLU A 10 3.361 10.940 -5.033 1.00 0.00 O ATOM 0 HA GLU A 10 0.924 7.741 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.867 8.410 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.173 7.349 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.827 9.024 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.815 9.970 -2.864 1.00 0.00 H new ATOM 108 N TYR A 11 1.424 5.294 -2.079 1.00 0.00 N ATOM 109 CA TYR A 11 1.566 3.854 -1.898 1.00 0.00 C ATOM 110 C TYR A 11 1.564 3.134 -3.243 1.00 0.00 C ATOM 111 O TYR A 11 0.824 3.502 -4.156 1.00 0.00 O ATOM 112 CB TYR A 11 0.437 3.316 -1.017 1.00 0.00 C ATOM 113 CG TYR A 11 0.674 3.521 0.462 1.00 0.00 C ATOM 114 CD1 TYR A 11 1.452 2.629 1.191 1.00 0.00 C ATOM 115 CD2 TYR A 11 0.120 4.605 1.131 1.00 0.00 C ATOM 116 CE1 TYR A 11 1.671 2.812 2.543 1.00 0.00 C ATOM 117 CE2 TYR A 11 0.334 4.796 2.483 1.00 0.00 C ATOM 118 CZ TYR A 11 1.110 3.897 3.184 1.00 0.00 C ATOM 119 OH TYR A 11 1.325 4.083 4.530 1.00 0.00 O ATOM 0 H TYR A 11 0.700 5.566 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 11 2.521 3.667 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.496 3.804 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.311 2.251 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.893 1.779 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.489 5.311 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.278 2.109 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.104 5.644 2.988 1.00 0.00 H new ATOM 0 HH TYR A 11 0.505 3.874 5.024 1.00 0.00 H new ATOM 129 N ARG A 12 2.397 2.105 -3.357 1.00 0.00 N ATOM 130 CA ARG A 12 2.492 1.332 -4.589 1.00 0.00 C ATOM 131 C ARG A 12 2.117 -0.127 -4.347 1.00 0.00 C ATOM 132 O ARG A 12 2.823 -0.852 -3.646 1.00 0.00 O ATOM 133 CB ARG A 12 3.909 1.417 -5.161 1.00 0.00 C ATOM 134 CG ARG A 12 4.055 0.763 -6.526 1.00 0.00 C ATOM 135 CD ARG A 12 5.517 0.594 -6.908 1.00 0.00 C ATOM 136 NE ARG A 12 6.204 1.877 -7.026 1.00 0.00 N ATOM 137 CZ ARG A 12 7.474 1.999 -7.397 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.191 0.922 -7.684 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.028 3.202 -7.481 1.00 0.00 N ATOM 0 H ARG A 12 3.016 1.787 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 12 1.790 1.755 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.199 2.465 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.602 0.944 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.565 -0.210 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.549 1.369 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.019 -0.018 -6.159 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.585 0.058 -7.855 1.00 0.00 H new ATOM 0 HE ARG A 12 5.680 2.726 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.768 -0.004 -7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.166 1.019 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.479 4.033 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.003 3.296 -7.766 1.00 0.00 H new ATOM 153 N ALA A 13 1.001 -0.551 -4.931 1.00 0.00 N ATOM 154 CA ALA A 13 0.533 -1.923 -4.779 1.00 0.00 C ATOM 155 C ALA A 13 1.689 -2.913 -4.887 1.00 0.00 C ATOM 156 O ALA A 13 2.772 -2.569 -5.363 1.00 0.00 O ATOM 157 CB ALA A 13 -0.531 -2.236 -5.821 1.00 0.00 C ATOM 0 H ALA A 13 0.404 0.036 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 13 0.095 -2.023 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.872 -3.264 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.374 -1.557 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.111 -2.112 -6.819 1.00 0.00 H new ATOM 163 N LEU A 14 1.452 -4.142 -4.442 1.00 0.00 N ATOM 164 CA LEU A 14 2.474 -5.182 -4.488 1.00 0.00 C ATOM 165 C LEU A 14 1.966 -6.412 -5.233 1.00 0.00 C ATOM 166 O LEU A 14 2.740 -7.131 -5.866 1.00 0.00 O ATOM 167 CB LEU A 14 2.900 -5.569 -3.071 1.00 0.00 C ATOM 168 CG LEU A 14 3.684 -4.512 -2.293 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.779 -4.892 -0.824 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.072 -4.330 -2.890 1.00 0.00 C ATOM 0 H LEU A 14 0.562 -4.443 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 14 3.336 -4.786 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.006 -5.822 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.507 -6.472 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 14 3.151 -3.564 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.340 -4.128 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.777 -4.970 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.288 -5.851 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.615 -3.574 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.614 -5.275 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.982 -4.011 -3.928 1.00 0.00 H new ATOM 182 N TYR A 15 0.661 -6.647 -5.155 1.00 0.00 N ATOM 183 CA TYR A 15 0.049 -7.791 -5.821 1.00 0.00 C ATOM 184 C TYR A 15 -1.305 -7.415 -6.414 1.00 0.00 C ATOM 185 O TYR A 15 -2.066 -6.652 -5.818 1.00 0.00 O ATOM 186 CB TYR A 15 -0.116 -8.952 -4.839 1.00 0.00 C ATOM 187 CG TYR A 15 1.066 -9.135 -3.914 1.00 0.00 C ATOM 188 CD1 TYR A 15 1.196 -8.370 -2.762 1.00 0.00 C ATOM 189 CD2 TYR A 15 2.053 -10.073 -4.193 1.00 0.00 C ATOM 190 CE1 TYR A 15 2.275 -8.533 -1.914 1.00 0.00 C ATOM 191 CE2 TYR A 15 3.134 -10.244 -3.350 1.00 0.00 C ATOM 192 CZ TYR A 15 3.240 -9.472 -2.212 1.00 0.00 C ATOM 193 OH TYR A 15 4.316 -9.639 -1.371 1.00 0.00 O ATOM 0 H TYR A 15 0.006 -6.061 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 15 0.707 -8.102 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.012 -8.787 -4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.273 -9.873 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.441 -7.635 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.973 -10.678 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.362 -7.929 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.892 -10.978 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 15 4.902 -10.340 -1.725 1.00 0.00 H new ATOM 203 N ASP A 16 -1.599 -7.956 -7.591 1.00 0.00 N ATOM 204 CA ASP A 16 -2.862 -7.681 -8.266 1.00 0.00 C ATOM 205 C ASP A 16 -4.028 -8.321 -7.519 1.00 0.00 C ATOM 206 O ASP A 16 -4.348 -9.490 -7.733 1.00 0.00 O ATOM 207 CB ASP A 16 -2.818 -8.195 -9.706 1.00 0.00 C ATOM 208 CG ASP A 16 -2.262 -9.602 -9.802 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.032 -9.764 -9.660 1.00 0.00 O ATOM 210 OD2 ASP A 16 -3.057 -10.541 -10.019 1.00 0.00 O ATOM 0 H ASP A 16 -0.979 -8.588 -8.098 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.011 -6.601 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.823 -8.175 -10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.207 -7.524 -10.310 1.00 0.00 H new ATOM 215 N TYR A 17 -4.658 -7.548 -6.642 1.00 0.00 N ATOM 216 CA TYR A 17 -5.786 -8.040 -5.860 1.00 0.00 C ATOM 217 C TYR A 17 -7.084 -7.941 -6.656 1.00 0.00 C ATOM 218 O TYR A 17 -7.434 -6.876 -7.167 1.00 0.00 O ATOM 219 CB TYR A 17 -5.912 -7.253 -4.555 1.00 0.00 C ATOM 220 CG TYR A 17 -7.189 -7.538 -3.797 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.260 -8.585 -2.886 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.324 -6.760 -3.990 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.424 -8.850 -2.192 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.492 -7.017 -3.299 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.538 -8.063 -2.401 1.00 0.00 C ATOM 226 OH TYR A 17 -10.699 -8.323 -1.711 1.00 0.00 O ATOM 0 H TYR A 17 -4.407 -6.577 -6.455 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.604 -9.089 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.060 -7.486 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.861 -6.187 -4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.390 -9.202 -2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.292 -5.940 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.462 -9.669 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.365 -6.402 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.113 -7.478 -1.437 1.00 0.00 H new ATOM 236 N THR A 18 -7.798 -9.058 -6.755 1.00 0.00 N ATOM 237 CA THR A 18 -9.057 -9.099 -7.487 1.00 0.00 C ATOM 238 C THR A 18 -10.227 -8.714 -6.590 1.00 0.00 C ATOM 239 O THR A 18 -10.522 -9.399 -5.611 1.00 0.00 O ATOM 240 CB THR A 18 -9.317 -10.497 -8.080 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.202 -10.905 -8.880 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.582 -10.499 -8.925 1.00 0.00 C ATOM 0 H THR A 18 -7.525 -9.947 -6.337 1.00 0.00 H new ATOM 0 HA THR A 18 -8.974 -8.378 -8.300 1.00 0.00 H new ATOM 0 HB THR A 18 -9.448 -11.199 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.374 -11.795 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.745 -11.496 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.434 -10.216 -8.306 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.475 -9.786 -9.742 1.00 0.00 H new ATOM 250 N ALA A 19 -10.892 -7.615 -6.930 1.00 0.00 N ATOM 251 CA ALA A 19 -12.032 -7.141 -6.156 1.00 0.00 C ATOM 252 C ALA A 19 -13.152 -8.176 -6.139 1.00 0.00 C ATOM 253 O ALA A 19 -13.593 -8.643 -7.188 1.00 0.00 O ATOM 254 CB ALA A 19 -12.540 -5.821 -6.718 1.00 0.00 C ATOM 0 H ALA A 19 -10.660 -7.036 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.702 -6.983 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.392 -5.479 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.745 -5.076 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.847 -5.961 -7.754 1.00 0.00 H new ATOM 260 N GLN A 20 -13.606 -8.529 -4.941 1.00 0.00 N ATOM 261 CA GLN A 20 -14.674 -9.511 -4.788 1.00 0.00 C ATOM 262 C GLN A 20 -16.026 -8.823 -4.628 1.00 0.00 C ATOM 263 O GLN A 20 -17.056 -9.355 -5.040 1.00 0.00 O ATOM 264 CB GLN A 20 -14.400 -10.411 -3.583 1.00 0.00 C ATOM 265 CG GLN A 20 -13.232 -11.362 -3.787 1.00 0.00 C ATOM 266 CD GLN A 20 -13.367 -12.189 -5.051 1.00 0.00 C ATOM 267 OE1 GLN A 20 -13.938 -13.279 -5.035 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.840 -11.672 -6.155 1.00 0.00 N ATOM 0 H GLN A 20 -13.252 -8.150 -4.063 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.703 -10.123 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.202 -9.787 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.296 -10.991 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.305 -10.790 -3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.156 -12.028 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.376 -10.765 -6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.900 -12.182 -7.036 1.00 0.00 H new ATOM 277 N ASN A 21 -16.015 -7.639 -4.025 1.00 0.00 N ATOM 278 CA ASN A 21 -17.240 -6.879 -3.809 1.00 0.00 C ATOM 279 C ASN A 21 -17.349 -5.727 -4.803 1.00 0.00 C ATOM 280 O ASN A 21 -16.351 -5.225 -5.320 1.00 0.00 O ATOM 281 CB ASN A 21 -17.285 -6.339 -2.378 1.00 0.00 C ATOM 282 CG ASN A 21 -16.560 -7.240 -1.397 1.00 0.00 C ATOM 283 OD1 ASN A 21 -16.728 -8.460 -1.417 1.00 0.00 O ATOM 284 ND2 ASN A 21 -15.749 -6.642 -0.532 1.00 0.00 N ATOM 0 H ASN A 21 -15.171 -7.185 -3.677 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.085 -7.550 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.838 -5.345 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.324 -6.229 -2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.235 -7.197 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.640 -5.628 -0.552 1.00 0.00 H new ATOM 291 N PRO A 22 -18.589 -5.297 -5.077 1.00 0.00 N ATOM 292 CA PRO A 22 -18.858 -4.198 -6.010 1.00 0.00 C ATOM 293 C PRO A 22 -18.406 -2.849 -5.463 1.00 0.00 C ATOM 294 O PRO A 22 -18.461 -1.836 -6.160 1.00 0.00 O ATOM 295 CB PRO A 22 -20.381 -4.229 -6.165 1.00 0.00 C ATOM 296 CG PRO A 22 -20.877 -4.856 -4.908 1.00 0.00 C ATOM 297 CD PRO A 22 -19.825 -5.849 -4.498 1.00 0.00 C ATOM 0 HA PRO A 22 -18.317 -4.319 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.786 -3.225 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.678 -4.807 -7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.030 -4.106 -4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.836 -5.348 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.756 -5.937 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.040 -6.845 -4.885 1.00 0.00 H new ATOM 305 N ASP A 23 -17.959 -2.843 -4.212 1.00 0.00 N ATOM 306 CA ASP A 23 -17.495 -1.618 -3.571 1.00 0.00 C ATOM 307 C ASP A 23 -15.993 -1.676 -3.311 1.00 0.00 C ATOM 308 O ASP A 23 -15.440 -0.819 -2.622 1.00 0.00 O ATOM 309 CB ASP A 23 -18.245 -1.389 -2.258 1.00 0.00 C ATOM 310 CG ASP A 23 -19.640 -0.838 -2.476 1.00 0.00 C ATOM 311 OD1 ASP A 23 -19.795 0.065 -3.324 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.577 -1.310 -1.798 1.00 0.00 O ATOM 0 H ASP A 23 -17.908 -3.673 -3.621 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.696 -0.785 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.311 -2.330 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.678 -0.698 -1.635 1.00 0.00 H new ATOM 317 N GLU A 24 -15.340 -2.692 -3.865 1.00 0.00 N ATOM 318 CA GLU A 24 -13.902 -2.862 -3.691 1.00 0.00 C ATOM 319 C GLU A 24 -13.145 -2.389 -4.928 1.00 0.00 C ATOM 320 O GLU A 24 -13.745 -2.085 -5.960 1.00 0.00 O ATOM 321 CB GLU A 24 -13.570 -4.328 -3.405 1.00 0.00 C ATOM 322 CG GLU A 24 -14.059 -4.809 -2.049 1.00 0.00 C ATOM 323 CD GLU A 24 -13.034 -4.601 -0.951 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.094 -5.417 -0.854 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.172 -3.620 -0.190 1.00 0.00 O ATOM 0 H GLU A 24 -15.783 -3.410 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.590 -2.255 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.012 -4.950 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.490 -4.465 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.976 -4.280 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.309 -5.868 -2.112 1.00 0.00 H new ATOM 332 N LEU A 25 -11.822 -2.330 -4.818 1.00 0.00 N ATOM 333 CA LEU A 25 -10.981 -1.894 -5.927 1.00 0.00 C ATOM 334 C LEU A 25 -9.874 -2.908 -6.202 1.00 0.00 C ATOM 335 O LEU A 25 -9.168 -3.333 -5.288 1.00 0.00 O ATOM 336 CB LEU A 25 -10.370 -0.525 -5.622 1.00 0.00 C ATOM 337 CG LEU A 25 -11.196 0.688 -6.050 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.574 1.971 -5.520 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.321 0.741 -7.566 1.00 0.00 C ATOM 0 H LEU A 25 -11.309 -2.579 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.606 -1.816 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.194 -0.459 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.397 -0.467 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.196 0.590 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.175 2.824 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.537 1.935 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.563 2.075 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.912 1.611 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.329 0.815 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.812 -0.165 -7.922 1.00 0.00 H new ATOM 351 N ASP A 26 -9.728 -3.288 -7.466 1.00 0.00 N ATOM 352 CA ASP A 26 -8.705 -4.249 -7.862 1.00 0.00 C ATOM 353 C ASP A 26 -7.334 -3.583 -7.937 1.00 0.00 C ATOM 354 O ASP A 26 -7.068 -2.785 -8.837 1.00 0.00 O ATOM 355 CB ASP A 26 -9.057 -4.873 -9.213 1.00 0.00 C ATOM 356 CG ASP A 26 -9.250 -3.833 -10.299 1.00 0.00 C ATOM 357 OD1 ASP A 26 -8.254 -3.472 -10.959 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.398 -3.378 -10.488 1.00 0.00 O ATOM 0 H ASP A 26 -10.305 -2.945 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.667 -5.034 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.265 -5.561 -9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.969 -5.461 -9.111 1.00 0.00 H new ATOM 363 N LEU A 27 -6.468 -3.916 -6.987 1.00 0.00 N ATOM 364 CA LEU A 27 -5.124 -3.349 -6.944 1.00 0.00 C ATOM 365 C LEU A 27 -4.257 -3.920 -8.061 1.00 0.00 C ATOM 366 O LEU A 27 -4.706 -4.760 -8.842 1.00 0.00 O ATOM 367 CB LEU A 27 -4.475 -3.627 -5.587 1.00 0.00 C ATOM 368 CG LEU A 27 -4.951 -2.755 -4.424 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.476 -3.327 -3.098 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.461 -1.324 -4.596 1.00 0.00 C ATOM 0 H LEU A 27 -6.672 -4.575 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.206 -2.271 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.653 -4.671 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.397 -3.503 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.041 -2.748 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.824 -2.693 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.876 -4.333 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.387 -3.366 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.809 -0.717 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.371 -1.313 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.852 -0.915 -5.528 1.00 0.00 H new ATOM 382 N SER A 28 -3.012 -3.461 -8.130 1.00 0.00 N ATOM 383 CA SER A 28 -2.081 -3.925 -9.153 1.00 0.00 C ATOM 384 C SER A 28 -0.678 -3.383 -8.897 1.00 0.00 C ATOM 385 O SER A 28 -0.443 -2.178 -8.977 1.00 0.00 O ATOM 386 CB SER A 28 -2.561 -3.497 -10.541 1.00 0.00 C ATOM 387 OG SER A 28 -3.524 -4.403 -11.050 1.00 0.00 O ATOM 0 H SER A 28 -2.624 -2.768 -7.490 1.00 0.00 H new ATOM 0 HA SER A 28 -2.044 -5.013 -9.109 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.991 -2.497 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.712 -3.443 -11.222 1.00 0.00 H new ATOM 0 HG SER A 28 -4.311 -4.407 -10.466 1.00 0.00 H new ATOM 393 N ALA A 29 0.250 -4.282 -8.589 1.00 0.00 N ATOM 394 CA ALA A 29 1.630 -3.896 -8.323 1.00 0.00 C ATOM 395 C ALA A 29 2.118 -2.869 -9.340 1.00 0.00 C ATOM 396 O ALA A 29 1.938 -3.040 -10.545 1.00 0.00 O ATOM 397 CB ALA A 29 2.532 -5.121 -8.333 1.00 0.00 C ATOM 0 H ALA A 29 0.071 -5.284 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 29 1.669 -3.438 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.560 -4.818 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.204 -5.821 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.480 -5.604 -9.309 1.00 0.00 H new ATOM 403 N GLY A 30 2.736 -1.801 -8.845 1.00 0.00 N ATOM 404 CA GLY A 30 3.239 -0.762 -9.724 1.00 0.00 C ATOM 405 C GLY A 30 2.324 0.446 -9.778 1.00 0.00 C ATOM 406 O GLY A 30 2.790 1.584 -9.834 1.00 0.00 O ATOM 0 H GLY A 30 2.897 -1.637 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.227 -0.451 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.360 -1.167 -10.729 1.00 0.00 H new ATOM 410 N ASP A 31 1.019 0.199 -9.762 1.00 0.00 N ATOM 411 CA ASP A 31 0.037 1.275 -9.810 1.00 0.00 C ATOM 412 C ASP A 31 0.200 2.213 -8.618 1.00 0.00 C ATOM 413 O ASP A 31 0.155 1.782 -7.465 1.00 0.00 O ATOM 414 CB ASP A 31 -1.380 0.700 -9.831 1.00 0.00 C ATOM 415 CG ASP A 31 -1.821 0.297 -11.224 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.308 -0.719 -11.739 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.679 0.997 -11.800 1.00 0.00 O ATOM 0 H ASP A 31 0.617 -0.737 -9.716 1.00 0.00 H new ATOM 0 HA ASP A 31 0.204 1.845 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.426 -0.168 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.075 1.439 -9.433 1.00 0.00 H new ATOM 422 N ILE A 32 0.392 3.497 -8.904 1.00 0.00 N ATOM 423 CA ILE A 32 0.562 4.495 -7.856 1.00 0.00 C ATOM 424 C ILE A 32 -0.779 5.089 -7.439 1.00 0.00 C ATOM 425 O ILE A 32 -1.432 5.784 -8.218 1.00 0.00 O ATOM 426 CB ILE A 32 1.496 5.633 -8.310 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.853 5.070 -8.734 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.665 6.655 -7.195 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.306 3.892 -7.901 1.00 0.00 C ATOM 0 H ILE A 32 0.434 3.870 -9.853 1.00 0.00 H new ATOM 0 HA ILE A 32 1.011 3.985 -7.004 1.00 0.00 H new ATOM 0 HB ILE A 32 1.047 6.132 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.800 4.766 -9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.601 5.860 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.327 7.453 -7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.693 7.075 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.096 6.170 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.276 3.545 -8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.391 4.196 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.578 3.085 -7.986 1.00 0.00 H new ATOM 441 N LEU A 33 -1.184 4.812 -6.204 1.00 0.00 N ATOM 442 CA LEU A 33 -2.447 5.320 -5.681 1.00 0.00 C ATOM 443 C LEU A 33 -2.215 6.206 -4.462 1.00 0.00 C ATOM 444 O LEU A 33 -1.109 6.261 -3.925 1.00 0.00 O ATOM 445 CB LEU A 33 -3.373 4.159 -5.313 1.00 0.00 C ATOM 446 CG LEU A 33 -3.677 3.162 -6.432 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.052 1.807 -5.853 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.790 3.688 -7.328 1.00 0.00 C ATOM 0 H LEU A 33 -0.656 4.238 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.918 5.921 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.927 3.615 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.316 4.572 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.778 3.039 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.265 1.111 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.224 1.425 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.936 1.912 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.993 2.965 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.692 3.841 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.483 4.635 -7.772 1.00 0.00 H new ATOM 460 N GLU A 34 -3.265 6.896 -4.029 1.00 0.00 N ATOM 461 CA GLU A 34 -3.175 7.778 -2.872 1.00 0.00 C ATOM 462 C GLU A 34 -4.220 7.409 -1.823 1.00 0.00 C ATOM 463 O GLU A 34 -5.422 7.543 -2.053 1.00 0.00 O ATOM 464 CB GLU A 34 -3.358 9.236 -3.298 1.00 0.00 C ATOM 465 CG GLU A 34 -2.062 9.922 -3.695 1.00 0.00 C ATOM 466 CD GLU A 34 -2.291 11.161 -4.538 1.00 0.00 C ATOM 467 OE1 GLU A 34 -2.525 12.240 -3.954 1.00 0.00 O ATOM 468 OE2 GLU A 34 -2.238 11.053 -5.781 1.00 0.00 O ATOM 0 H GLU A 34 -4.188 6.861 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.185 7.657 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.052 9.276 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.816 9.790 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.510 10.196 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.439 9.220 -4.250 1.00 0.00 H new ATOM 475 N VAL A 35 -3.752 6.941 -0.669 1.00 0.00 N ATOM 476 CA VAL A 35 -4.645 6.552 0.416 1.00 0.00 C ATOM 477 C VAL A 35 -5.183 7.775 1.150 1.00 0.00 C ATOM 478 O VAL A 35 -4.439 8.478 1.834 1.00 0.00 O ATOM 479 CB VAL A 35 -3.933 5.633 1.426 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.725 6.335 2.028 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.898 5.189 2.514 1.00 0.00 C ATOM 0 H VAL A 35 -2.760 6.822 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.475 6.009 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.582 4.746 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.235 5.670 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.025 6.598 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.049 7.240 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.378 4.540 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.281 6.064 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.728 4.644 2.064 1.00 0.00 H new ATOM 491 N ILE A 36 -6.480 8.023 1.003 1.00 0.00 N ATOM 492 CA ILE A 36 -7.118 9.161 1.653 1.00 0.00 C ATOM 493 C ILE A 36 -7.279 8.919 3.150 1.00 0.00 C ATOM 494 O ILE A 36 -7.026 9.807 3.965 1.00 0.00 O ATOM 495 CB ILE A 36 -8.500 9.457 1.041 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.374 9.703 -0.464 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.138 10.655 1.728 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.433 10.836 -0.813 1.00 0.00 C ATOM 0 H ILE A 36 -7.109 7.451 0.440 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.468 10.021 1.494 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.142 8.590 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.025 8.790 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.361 9.922 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.114 10.852 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.258 10.444 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.499 11.529 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.392 10.954 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.792 11.760 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.436 10.611 -0.435 1.00 0.00 H new ATOM 510 N LEU A 37 -7.700 7.710 3.507 1.00 0.00 N ATOM 511 CA LEU A 37 -7.894 7.350 4.907 1.00 0.00 C ATOM 512 C LEU A 37 -7.315 5.968 5.198 1.00 0.00 C ATOM 513 O LEU A 37 -7.472 5.040 4.405 1.00 0.00 O ATOM 514 CB LEU A 37 -9.381 7.377 5.261 1.00 0.00 C ATOM 515 CG LEU A 37 -9.719 7.694 6.718 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.561 9.181 6.991 1.00 0.00 C ATOM 517 CD2 LEU A 37 -11.132 7.236 7.049 1.00 0.00 C ATOM 0 H LEU A 37 -7.913 6.963 2.846 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.369 8.082 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.872 8.115 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.811 6.407 5.012 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.023 7.152 7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.806 9.388 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.531 9.480 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.232 9.743 6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.356 7.469 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.842 7.750 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.212 6.160 6.893 1.00 0.00 H new ATOM 529 N GLU A 38 -6.649 5.840 6.341 1.00 0.00 N ATOM 530 CA GLU A 38 -6.049 4.571 6.737 1.00 0.00 C ATOM 531 C GLU A 38 -6.896 3.878 7.800 1.00 0.00 C ATOM 532 O GLU A 38 -7.221 4.465 8.831 1.00 0.00 O ATOM 533 CB GLU A 38 -4.630 4.795 7.264 1.00 0.00 C ATOM 534 CG GLU A 38 -3.640 5.210 6.190 1.00 0.00 C ATOM 535 CD GLU A 38 -3.602 6.711 5.979 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.493 7.234 5.278 1.00 0.00 O ATOM 537 OE2 GLU A 38 -2.682 7.363 6.516 1.00 0.00 O ATOM 0 H GLU A 38 -6.511 6.599 7.009 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.004 3.929 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.656 5.562 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.278 3.878 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.645 4.860 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.902 4.722 5.251 1.00 0.00 H new ATOM 544 N GLY A 39 -7.249 2.622 7.541 1.00 0.00 N ATOM 545 CA GLY A 39 -8.055 1.869 8.484 1.00 0.00 C ATOM 546 C GLY A 39 -7.212 1.067 9.456 1.00 0.00 C ATOM 547 O GLY A 39 -6.147 0.566 9.096 1.00 0.00 O ATOM 0 H GLY A 39 -6.991 2.113 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.693 2.555 9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.714 1.195 7.937 1.00 0.00 H new ATOM 551 N GLU A 40 -7.689 0.946 10.691 1.00 0.00 N ATOM 552 CA GLU A 40 -6.969 0.201 11.717 1.00 0.00 C ATOM 553 C GLU A 40 -7.081 -1.302 11.478 1.00 0.00 C ATOM 554 O GLU A 40 -6.110 -2.041 11.639 1.00 0.00 O ATOM 555 CB GLU A 40 -7.511 0.549 13.105 1.00 0.00 C ATOM 556 CG GLU A 40 -8.980 0.208 13.289 1.00 0.00 C ATOM 557 CD GLU A 40 -9.564 0.806 14.554 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.945 1.994 14.528 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.640 0.084 15.570 1.00 0.00 O ATOM 0 H GLU A 40 -8.570 1.354 11.005 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.917 0.482 11.664 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.927 0.019 13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.369 1.615 13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.543 0.568 12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.097 -0.875 13.316 1.00 0.00 H new ATOM 566 N ASP A 41 -8.273 -1.746 11.093 1.00 0.00 N ATOM 567 CA ASP A 41 -8.513 -3.161 10.831 1.00 0.00 C ATOM 568 C ASP A 41 -7.644 -3.655 9.679 1.00 0.00 C ATOM 569 O ASP A 41 -7.075 -4.744 9.740 1.00 0.00 O ATOM 570 CB ASP A 41 -9.990 -3.398 10.510 1.00 0.00 C ATOM 571 CG ASP A 41 -10.913 -2.741 11.516 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.166 -1.525 11.384 1.00 0.00 O ATOM 573 OD2 ASP A 41 -11.385 -3.443 12.435 1.00 0.00 O ATOM 0 H ASP A 41 -9.087 -1.147 10.956 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.249 -3.722 11.728 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.209 -3.012 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.186 -4.470 10.487 1.00 0.00 H new ATOM 578 N GLY A 42 -7.546 -2.846 8.628 1.00 0.00 N ATOM 579 CA GLY A 42 -6.746 -3.220 7.476 1.00 0.00 C ATOM 580 C GLY A 42 -7.262 -2.608 6.189 1.00 0.00 C ATOM 581 O GLY A 42 -6.511 -2.445 5.227 1.00 0.00 O ATOM 0 H GLY A 42 -8.006 -1.939 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.715 -2.906 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.737 -4.306 7.381 1.00 0.00 H new ATOM 585 N TRP A 43 -8.546 -2.271 6.169 1.00 0.00 N ATOM 586 CA TRP A 43 -9.162 -1.676 4.989 1.00 0.00 C ATOM 587 C TRP A 43 -8.748 -0.216 4.836 1.00 0.00 C ATOM 588 O TRP A 43 -9.032 0.612 5.701 1.00 0.00 O ATOM 589 CB TRP A 43 -10.685 -1.780 5.075 1.00 0.00 C ATOM 590 CG TRP A 43 -11.192 -3.185 4.953 1.00 0.00 C ATOM 591 CD1 TRP A 43 -11.803 -3.923 5.926 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.130 -4.021 3.792 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.125 -5.168 5.440 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.723 -5.252 4.133 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.633 -3.848 2.498 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.829 -6.303 3.226 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.739 -4.892 1.599 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.334 -6.107 1.966 1.00 0.00 C ATOM 0 H TRP A 43 -9.181 -2.400 6.957 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.816 -2.226 4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.017 -1.363 6.025 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.129 -1.171 4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.004 -3.579 6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.588 -5.909 5.967 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.174 -2.915 2.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.286 -7.240 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.357 -4.770 0.596 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.403 -6.904 1.240 1.00 0.00 H new ATOM 609 N TRP A 44 -8.076 0.091 3.732 1.00 0.00 N ATOM 610 CA TRP A 44 -7.624 1.452 3.467 1.00 0.00 C ATOM 611 C TRP A 44 -8.401 2.069 2.310 1.00 0.00 C ATOM 612 O TRP A 44 -8.832 1.367 1.394 1.00 0.00 O ATOM 613 CB TRP A 44 -6.126 1.462 3.155 1.00 0.00 C ATOM 614 CG TRP A 44 -5.267 1.218 4.359 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.585 0.467 5.455 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.949 1.728 4.588 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.544 0.480 6.351 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.528 1.245 5.843 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.082 2.543 3.855 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.281 1.553 6.379 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.844 2.848 4.388 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.452 2.354 5.639 1.00 0.00 C ATOM 0 H TRP A 44 -7.832 -0.583 3.007 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.806 2.049 4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.913 0.700 2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.860 2.424 2.716 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.517 -0.059 5.596 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.530 -0.002 7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.374 2.928 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.978 1.174 7.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.167 3.478 3.830 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.477 2.610 6.028 1.00 0.00 H new ATOM 633 N THR A 45 -8.576 3.386 2.355 1.00 0.00 N ATOM 634 CA THR A 45 -9.303 4.097 1.310 1.00 0.00 C ATOM 635 C THR A 45 -8.344 4.765 0.331 1.00 0.00 C ATOM 636 O THR A 45 -7.683 5.747 0.667 1.00 0.00 O ATOM 637 CB THR A 45 -10.239 5.166 1.905 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.247 4.542 2.707 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.895 5.983 0.802 1.00 0.00 C ATOM 0 H THR A 45 -8.224 3.982 3.104 1.00 0.00 H new ATOM 0 HA THR A 45 -9.901 3.356 0.780 1.00 0.00 H new ATOM 0 HB THR A 45 -9.644 5.835 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.770 3.925 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.552 6.732 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.126 6.479 0.210 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.478 5.324 0.159 1.00 0.00 H new ATOM 647 N VAL A 46 -8.273 4.226 -0.882 1.00 0.00 N ATOM 648 CA VAL A 46 -7.396 4.771 -1.911 1.00 0.00 C ATOM 649 C VAL A 46 -8.195 5.247 -3.119 1.00 0.00 C ATOM 650 O VAL A 46 -9.274 4.728 -3.405 1.00 0.00 O ATOM 651 CB VAL A 46 -6.358 3.731 -2.373 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.489 3.289 -1.206 1.00 0.00 C ATOM 653 CG2 VAL A 46 -7.050 2.538 -3.015 1.00 0.00 C ATOM 0 H VAL A 46 -8.813 3.412 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.876 5.619 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.713 4.194 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.762 2.554 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.965 4.152 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.116 2.843 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.302 1.813 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.719 2.073 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.625 2.872 -3.879 1.00 0.00 H new ATOM 663 N GLU A 47 -7.659 6.238 -3.824 1.00 0.00 N ATOM 664 CA GLU A 47 -8.323 6.783 -5.002 1.00 0.00 C ATOM 665 C GLU A 47 -7.708 6.225 -6.282 1.00 0.00 C ATOM 666 O GLU A 47 -6.545 6.487 -6.590 1.00 0.00 O ATOM 667 CB GLU A 47 -8.232 8.311 -5.004 1.00 0.00 C ATOM 668 CG GLU A 47 -9.295 8.982 -5.858 1.00 0.00 C ATOM 669 CD GLU A 47 -8.857 9.162 -7.299 1.00 0.00 C ATOM 670 OE1 GLU A 47 -8.551 8.146 -7.958 1.00 0.00 O ATOM 671 OE2 GLU A 47 -8.820 10.319 -7.767 1.00 0.00 O ATOM 0 H GLU A 47 -6.767 6.680 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.372 6.488 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.319 8.673 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.247 8.608 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.207 8.386 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.538 9.955 -5.431 1.00 0.00 H new ATOM 678 N ARG A 48 -8.496 5.453 -7.022 1.00 0.00 N ATOM 679 CA ARG A 48 -8.029 4.855 -8.267 1.00 0.00 C ATOM 680 C ARG A 48 -8.889 5.309 -9.444 1.00 0.00 C ATOM 681 O ARG A 48 -10.112 5.181 -9.417 1.00 0.00 O ATOM 682 CB ARG A 48 -8.051 3.329 -8.165 1.00 0.00 C ATOM 683 CG ARG A 48 -7.272 2.633 -9.269 1.00 0.00 C ATOM 684 CD ARG A 48 -6.887 1.217 -8.873 1.00 0.00 C ATOM 685 NE ARG A 48 -8.021 0.300 -8.948 1.00 0.00 N ATOM 686 CZ ARG A 48 -8.556 -0.115 -10.091 1.00 0.00 C ATOM 687 NH1 ARG A 48 -8.062 0.304 -11.248 1.00 0.00 N ATOM 688 NH2 ARG A 48 -9.587 -0.950 -10.078 1.00 0.00 N ATOM 0 H ARG A 48 -9.461 5.227 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.005 5.186 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.641 3.032 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.085 2.987 -8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.873 2.607 -10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.373 3.205 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.090 0.862 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.490 1.220 -7.858 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.424 -0.040 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.270 0.946 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.474 -0.016 -12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.970 -1.274 -9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.997 -1.268 -10.956 1.00 0.00 H new ATOM 702 N ASN A 49 -8.239 5.839 -10.475 1.00 0.00 N ATOM 703 CA ASN A 49 -8.943 6.313 -11.660 1.00 0.00 C ATOM 704 C ASN A 49 -10.117 7.208 -11.274 1.00 0.00 C ATOM 705 O ASN A 49 -11.155 7.208 -11.935 1.00 0.00 O ATOM 706 CB ASN A 49 -9.442 5.128 -12.490 1.00 0.00 C ATOM 707 CG ASN A 49 -9.694 5.502 -13.938 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.776 5.507 -14.758 1.00 0.00 O ATOM 709 ND2 ASN A 49 -10.943 5.817 -14.259 1.00 0.00 N ATOM 0 H ASN A 49 -7.226 5.951 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.244 6.898 -12.258 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.708 4.324 -12.448 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.363 4.743 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.173 6.077 -15.218 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.673 5.799 -13.546 1.00 0.00 H new ATOM 716 N GLY A 50 -9.944 7.971 -10.199 1.00 0.00 N ATOM 717 CA GLY A 50 -10.996 8.861 -9.744 1.00 0.00 C ATOM 718 C GLY A 50 -12.120 8.120 -9.047 1.00 0.00 C ATOM 719 O GLY A 50 -13.255 8.594 -9.011 1.00 0.00 O ATOM 0 H GLY A 50 -9.094 7.989 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.574 9.599 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.399 9.408 -10.596 1.00 0.00 H new ATOM 723 N GLN A 51 -11.805 6.953 -8.494 1.00 0.00 N ATOM 724 CA GLN A 51 -12.798 6.145 -7.797 1.00 0.00 C ATOM 725 C GLN A 51 -12.313 5.771 -6.401 1.00 0.00 C ATOM 726 O GLN A 51 -11.132 5.491 -6.198 1.00 0.00 O ATOM 727 CB GLN A 51 -13.110 4.880 -8.598 1.00 0.00 C ATOM 728 CG GLN A 51 -13.803 5.153 -9.923 1.00 0.00 C ATOM 729 CD GLN A 51 -14.414 3.906 -10.531 1.00 0.00 C ATOM 730 OE1 GLN A 51 -14.712 2.941 -9.827 1.00 0.00 O ATOM 731 NE2 GLN A 51 -14.603 3.919 -11.845 1.00 0.00 N ATOM 0 H GLN A 51 -10.870 6.546 -8.515 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.708 6.738 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.181 4.342 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.740 4.225 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.583 5.899 -9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.085 5.579 -10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.341 4.741 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.010 3.107 -12.310 1.00 0.00 H new ATOM 740 N ARG A 52 -13.233 5.768 -5.441 1.00 0.00 N ATOM 741 CA ARG A 52 -12.899 5.429 -4.063 1.00 0.00 C ATOM 742 C ARG A 52 -13.309 3.996 -3.740 1.00 0.00 C ATOM 743 O ARG A 52 -14.464 3.614 -3.924 1.00 0.00 O ATOM 744 CB ARG A 52 -13.584 6.397 -3.097 1.00 0.00 C ATOM 745 CG ARG A 52 -12.760 7.638 -2.791 1.00 0.00 C ATOM 746 CD ARG A 52 -13.424 8.499 -1.728 1.00 0.00 C ATOM 747 NE ARG A 52 -13.616 7.772 -0.476 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.663 6.991 -0.232 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.607 6.837 -1.151 1.00 0.00 N ATOM 750 NH2 ARG A 52 -14.766 6.363 0.931 1.00 0.00 N ATOM 0 H ARG A 52 -14.215 5.997 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.819 5.514 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.541 6.702 -3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.799 5.875 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.767 7.342 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.626 8.221 -3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.813 9.383 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.389 8.849 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.907 7.869 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.530 7.318 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.410 6.237 -0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.041 6.479 1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.570 5.764 1.118 1.00 0.00 H new ATOM 764 N GLY A 53 -12.354 3.206 -3.258 1.00 0.00 N ATOM 765 CA GLY A 53 -12.636 1.824 -2.919 1.00 0.00 C ATOM 766 C GLY A 53 -11.999 1.407 -1.608 1.00 0.00 C ATOM 767 O GLY A 53 -11.418 2.232 -0.902 1.00 0.00 O ATOM 0 H GLY A 53 -11.390 3.499 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.715 1.681 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.274 1.176 -3.717 1.00 0.00 H new ATOM 771 N PHE A 54 -12.108 0.124 -1.280 1.00 0.00 N ATOM 772 CA PHE A 54 -11.539 -0.400 -0.044 1.00 0.00 C ATOM 773 C PHE A 54 -10.645 -1.604 -0.324 1.00 0.00 C ATOM 774 O PHE A 54 -11.088 -2.602 -0.894 1.00 0.00 O ATOM 775 CB PHE A 54 -12.654 -0.794 0.928 1.00 0.00 C ATOM 776 CG PHE A 54 -13.493 0.367 1.380 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.955 1.355 2.188 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.820 0.471 0.995 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.725 2.424 2.606 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.595 1.537 1.409 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.047 2.516 2.214 1.00 0.00 C ATOM 0 H PHE A 54 -12.585 -0.572 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.931 0.384 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.297 -1.533 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.211 -1.274 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.922 1.289 2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.254 -0.290 0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.294 3.186 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.629 1.605 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.650 3.352 2.537 1.00 0.00 H new ATOM 791 N VAL A 55 -9.382 -1.503 0.080 1.00 0.00 N ATOM 792 CA VAL A 55 -8.425 -2.583 -0.127 1.00 0.00 C ATOM 793 C VAL A 55 -7.519 -2.754 1.088 1.00 0.00 C ATOM 794 O VAL A 55 -7.247 -1.808 1.828 1.00 0.00 O ATOM 795 CB VAL A 55 -7.553 -2.330 -1.371 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.421 -2.199 -2.613 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.696 -1.088 -1.177 1.00 0.00 C ATOM 0 H VAL A 55 -8.998 -0.684 0.552 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.004 -3.494 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.890 -3.184 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.788 -2.021 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.988 -3.119 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.110 -1.364 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.086 -0.924 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.340 -0.224 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.047 -1.225 -0.312 1.00 0.00 H new ATOM 807 N PRO A 56 -7.040 -3.988 1.299 1.00 0.00 N ATOM 808 CA PRO A 56 -6.156 -4.313 2.423 1.00 0.00 C ATOM 809 C PRO A 56 -4.771 -3.696 2.268 1.00 0.00 C ATOM 810 O PRO A 56 -4.159 -3.778 1.203 1.00 0.00 O ATOM 811 CB PRO A 56 -6.069 -5.841 2.376 1.00 0.00 C ATOM 812 CG PRO A 56 -6.347 -6.193 0.956 1.00 0.00 C ATOM 813 CD PRO A 56 -7.323 -5.163 0.457 1.00 0.00 C ATOM 0 HA PRO A 56 -6.537 -3.923 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.084 -6.191 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.795 -6.300 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.431 -6.182 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.765 -7.197 0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.172 -4.945 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.354 -5.499 0.569 1.00 0.00 H new ATOM 821 N GLY A 57 -4.280 -3.078 3.338 1.00 0.00 N ATOM 822 CA GLY A 57 -2.969 -2.456 3.299 1.00 0.00 C ATOM 823 C GLY A 57 -1.858 -3.459 3.063 1.00 0.00 C ATOM 824 O GLY A 57 -0.856 -3.147 2.420 1.00 0.00 O ATOM 0 H GLY A 57 -4.766 -2.997 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.950 -1.705 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.790 -1.934 4.239 1.00 0.00 H new ATOM 828 N SER A 58 -2.034 -4.669 3.587 1.00 0.00 N ATOM 829 CA SER A 58 -1.035 -5.720 3.434 1.00 0.00 C ATOM 830 C SER A 58 -0.565 -5.817 1.986 1.00 0.00 C ATOM 831 O SER A 58 0.534 -6.298 1.709 1.00 0.00 O ATOM 832 CB SER A 58 -1.606 -7.065 3.888 1.00 0.00 C ATOM 833 OG SER A 58 -1.551 -7.192 5.298 1.00 0.00 O ATOM 0 H SER A 58 -2.858 -4.945 4.121 1.00 0.00 H new ATOM 0 HA SER A 58 -0.179 -5.467 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.639 -7.158 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.046 -7.877 3.424 1.00 0.00 H new ATOM 0 HG SER A 58 -1.923 -8.059 5.563 1.00 0.00 H new ATOM 839 N TYR A 59 -1.405 -5.357 1.066 1.00 0.00 N ATOM 840 CA TYR A 59 -1.078 -5.394 -0.355 1.00 0.00 C ATOM 841 C TYR A 59 -0.595 -4.030 -0.837 1.00 0.00 C ATOM 842 O TYR A 59 -0.835 -3.642 -1.982 1.00 0.00 O ATOM 843 CB TYR A 59 -2.297 -5.833 -1.169 1.00 0.00 C ATOM 844 CG TYR A 59 -2.679 -7.280 -0.953 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.070 -7.737 0.299 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.650 -8.190 -2.003 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.420 -9.058 0.500 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.000 -9.512 -1.811 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.383 -9.942 -0.558 1.00 0.00 C ATOM 850 OH TYR A 59 -3.732 -11.258 -0.362 1.00 0.00 O ATOM 0 H TYR A 59 -2.318 -4.954 1.278 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.274 -6.116 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.145 -5.199 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.093 -5.674 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.101 -7.048 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.349 -7.858 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.721 -9.397 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.974 -10.206 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.653 -11.747 -1.208 1.00 0.00 H new ATOM 860 N LEU A 60 0.089 -3.306 0.042 1.00 0.00 N ATOM 861 CA LEU A 60 0.608 -1.985 -0.292 1.00 0.00 C ATOM 862 C LEU A 60 2.018 -1.798 0.260 1.00 0.00 C ATOM 863 O LEU A 60 2.392 -2.419 1.253 1.00 0.00 O ATOM 864 CB LEU A 60 -0.316 -0.897 0.258 1.00 0.00 C ATOM 865 CG LEU A 60 -1.693 -0.790 -0.398 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.606 0.109 0.420 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.565 -0.269 -1.823 1.00 0.00 C ATOM 0 H LEU A 60 0.297 -3.612 0.992 1.00 0.00 H new ATOM 0 HA LEU A 60 0.649 -1.903 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.457 -1.073 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.188 0.064 0.157 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.136 -1.785 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.581 0.173 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.723 -0.306 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.169 1.105 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.554 -0.199 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.102 0.718 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.947 -0.952 -2.406 1.00 0.00 H new ATOM 879 N GLU A 61 2.793 -0.936 -0.391 1.00 0.00 N ATOM 880 CA GLU A 61 4.161 -0.667 0.036 1.00 0.00 C ATOM 881 C GLU A 61 4.394 0.832 0.203 1.00 0.00 C ATOM 882 O GLU A 61 4.292 1.599 -0.755 1.00 0.00 O ATOM 883 CB GLU A 61 5.157 -1.239 -0.974 1.00 0.00 C ATOM 884 CG GLU A 61 6.600 -0.859 -0.689 1.00 0.00 C ATOM 885 CD GLU A 61 7.180 -1.614 0.491 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.950 -2.838 0.584 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.864 -0.981 1.322 1.00 0.00 O ATOM 0 H GLU A 61 2.497 -0.413 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 61 4.315 -1.151 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.071 -2.326 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.889 -0.892 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.205 -1.055 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.658 0.212 -0.494 1.00 0.00 H new ATOM 894 N LYS A 62 4.706 1.244 1.428 1.00 0.00 N ATOM 895 CA LYS A 62 4.954 2.650 1.723 1.00 0.00 C ATOM 896 C LYS A 62 6.264 3.115 1.095 1.00 0.00 C ATOM 897 O LYS A 62 7.341 2.638 1.456 1.00 0.00 O ATOM 898 CB LYS A 62 4.993 2.876 3.236 1.00 0.00 C ATOM 899 CG LYS A 62 4.862 4.335 3.637 1.00 0.00 C ATOM 900 CD LYS A 62 4.505 4.479 5.107 1.00 0.00 C ATOM 901 CE LYS A 62 5.695 4.171 6.002 1.00 0.00 C ATOM 902 NZ LYS A 62 5.328 4.210 7.445 1.00 0.00 N ATOM 0 H LYS A 62 4.793 0.623 2.233 1.00 0.00 H new ATOM 0 HA LYS A 62 4.139 3.234 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.188 2.307 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.930 2.483 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.799 4.854 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.096 4.814 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.156 5.493 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.682 3.807 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.091 3.186 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.490 4.891 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.166 3.995 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.974 5.157 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.587 3.505 7.634 1.00 0.00 H new ATOM 916 N LEU A 63 6.165 4.048 0.155 1.00 0.00 N ATOM 917 CA LEU A 63 7.343 4.579 -0.523 1.00 0.00 C ATOM 918 C LEU A 63 7.924 5.764 0.242 1.00 0.00 C ATOM 919 O LEU A 63 7.433 6.887 0.131 1.00 0.00 O ATOM 920 CB LEU A 63 6.988 5.003 -1.949 1.00 0.00 C ATOM 921 CG LEU A 63 6.428 3.906 -2.856 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.858 4.507 -4.131 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.505 2.882 -3.181 1.00 0.00 C ATOM 0 H LEU A 63 5.282 4.453 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 63 8.095 3.791 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.258 5.810 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.882 5.413 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 63 5.621 3.399 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.464 3.712 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.056 5.201 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.645 5.040 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.089 2.109 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.333 3.374 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.866 2.428 -2.258 1.00 0.00 H new