USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= 0.242 X(o=0.48,f=0.18) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0.236 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -1.19! (180deg=-1.45!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 1.03 K(o=1,f=-3.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -130:sc= 0.869 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -118:sc= 0 (180deg=-0.0325) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 1.14 (180deg=0.164) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0542 (180deg=-0.317) USER MOD Single : A 43 SER OG : rot -119:sc= 0.496 USER MOD Single : A 48 THR OG1 : rot -20:sc= 0.566 USER MOD Single : A 53 ASN : amide:sc=-0.000564 K(o=-0.00056,f=-1.5) USER MOD Single : A 54 SER OG : rot -20:sc= 0.611 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 69 THR OG1 : rot -140:sc= -0.164 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0502) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 166:sc= -1.72 (180deg=-2.02) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 87 GLN : amide:sc= 0.122 K(o=0.12,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -0.474 4.904 2.477 1.00 0.00 N ATOM 158 CA TYR A 14 -1.358 3.863 2.965 1.00 0.00 C ATOM 159 C TYR A 14 -1.514 2.743 1.957 1.00 0.00 C ATOM 160 O TYR A 14 -1.364 2.945 0.749 1.00 0.00 O ATOM 161 CB TYR A 14 -2.720 4.421 3.346 1.00 0.00 C ATOM 162 CG TYR A 14 -2.659 5.472 4.424 1.00 0.00 C ATOM 163 CD1 TYR A 14 -2.646 6.816 4.104 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.611 5.117 5.764 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.589 7.782 5.087 1.00 0.00 C ATOM 166 CE2 TYR A 14 -2.553 6.074 6.754 1.00 0.00 C ATOM 167 CZ TYR A 14 -2.543 7.405 6.411 1.00 0.00 C ATOM 168 OH TYR A 14 -2.486 8.366 7.396 1.00 0.00 O ATOM 0 HA TYR A 14 -0.894 3.451 3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.190 4.848 2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.358 3.603 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.681 7.115 3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.619 4.072 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.580 8.828 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.516 5.780 7.793 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.460 7.933 8.275 1.00 0.00 H new ATOM 178 N ILE A 15 -1.854 1.585 2.466 1.00 0.00 N ATOM 179 CA ILE A 15 -1.977 0.367 1.695 1.00 0.00 C ATOM 180 C ILE A 15 -3.385 -0.193 1.854 1.00 0.00 C ATOM 181 O ILE A 15 -4.120 0.204 2.764 1.00 0.00 O ATOM 182 CB ILE A 15 -0.994 -0.690 2.217 1.00 0.00 C ATOM 183 CG1 ILE A 15 -1.440 -1.155 3.599 1.00 0.00 C ATOM 184 CG2 ILE A 15 0.406 -0.124 2.265 1.00 0.00 C ATOM 185 CD1 ILE A 15 -0.582 -2.226 4.206 1.00 0.00 C ATOM 0 H ILE A 15 -2.059 1.457 3.457 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.765 0.596 0.651 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.987 -1.546 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.454 -0.296 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.464 -1.523 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.093 -0.884 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.710 0.181 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.427 0.740 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.974 -2.494 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.586 -3.105 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.439 -1.858 4.311 1.00 0.00 H new ATOM 197 N LYS A 16 -3.765 -1.079 0.977 1.00 0.00 N ATOM 198 CA LYS A 16 -5.077 -1.705 1.068 1.00 0.00 C ATOM 199 C LYS A 16 -4.993 -2.983 1.875 1.00 0.00 C ATOM 200 O LYS A 16 -3.977 -3.657 1.854 1.00 0.00 O ATOM 201 CB LYS A 16 -5.617 -2.037 -0.318 1.00 0.00 C ATOM 202 CG LYS A 16 -6.463 -0.946 -0.960 1.00 0.00 C ATOM 203 CD LYS A 16 -5.625 0.031 -1.771 1.00 0.00 C ATOM 204 CE LYS A 16 -5.571 -0.363 -3.247 1.00 0.00 C ATOM 205 NZ LYS A 16 -4.969 -1.706 -3.455 1.00 0.00 N ATOM 0 H LYS A 16 -3.196 -1.391 0.190 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.749 -1.000 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.776 -2.257 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.215 -2.946 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.212 -1.403 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.001 -0.402 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.042 1.034 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.614 0.067 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.580 -0.352 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.994 0.380 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.659 -1.798 -4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.151 -1.821 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.675 -2.440 -3.244 1.00 0.00 H new ATOM 219 N ILE A 17 -6.020 -3.281 2.628 1.00 0.00 N ATOM 220 CA ILE A 17 -6.108 -4.554 3.316 1.00 0.00 C ATOM 221 C ILE A 17 -7.511 -5.115 3.257 1.00 0.00 C ATOM 222 O ILE A 17 -8.493 -4.395 3.481 1.00 0.00 O ATOM 223 CB ILE A 17 -5.610 -4.520 4.780 1.00 0.00 C ATOM 224 CG1 ILE A 17 -4.118 -4.196 4.831 1.00 0.00 C ATOM 225 CG2 ILE A 17 -5.883 -5.848 5.463 1.00 0.00 C ATOM 226 CD1 ILE A 17 -3.562 -4.128 6.226 1.00 0.00 C ATOM 0 H ILE A 17 -6.814 -2.660 2.784 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.428 -5.214 2.776 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.153 -3.737 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.571 -4.953 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.945 -3.242 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.527 -5.808 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.955 -6.046 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.364 -6.645 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.498 -3.894 6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.082 -3.352 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.702 -5.089 6.721 1.00 0.00 H new ATOM 238 N LYS A 18 -7.609 -6.388 2.940 1.00 0.00 N ATOM 239 CA LYS A 18 -8.881 -7.040 2.876 1.00 0.00 C ATOM 240 C LYS A 18 -9.144 -7.761 4.197 1.00 0.00 C ATOM 241 O LYS A 18 -8.528 -8.790 4.486 1.00 0.00 O ATOM 242 CB LYS A 18 -8.931 -8.062 1.734 1.00 0.00 C ATOM 243 CG LYS A 18 -8.097 -7.720 0.490 1.00 0.00 C ATOM 244 CD LYS A 18 -8.493 -8.613 -0.679 1.00 0.00 C ATOM 245 CE LYS A 18 -8.241 -10.082 -0.376 1.00 0.00 C ATOM 246 NZ LYS A 18 -8.647 -10.957 -1.499 1.00 0.00 N ATOM 0 H LYS A 18 -6.813 -6.987 2.723 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.642 -6.281 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.595 -9.025 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.970 -8.186 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.244 -6.674 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.037 -7.847 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.548 -8.465 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.930 -8.323 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.182 -10.232 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.790 -10.366 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.459 -11.949 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.663 -10.834 -1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.105 -10.704 -2.350 1.00 0.00 H new ATOM 260 N VAL A 19 -10.030 -7.212 4.997 1.00 0.00 N ATOM 261 CA VAL A 19 -10.422 -7.826 6.239 1.00 0.00 C ATOM 262 C VAL A 19 -11.459 -8.899 5.948 1.00 0.00 C ATOM 263 O VAL A 19 -12.533 -8.597 5.455 1.00 0.00 O ATOM 264 CB VAL A 19 -11.057 -6.769 7.188 1.00 0.00 C ATOM 265 CG1 VAL A 19 -11.592 -7.419 8.439 1.00 0.00 C ATOM 266 CG2 VAL A 19 -10.058 -5.671 7.543 1.00 0.00 C ATOM 0 H VAL A 19 -10.498 -6.327 4.802 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.542 -8.256 6.717 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.890 -6.309 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.030 -6.659 9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.354 -8.151 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.779 -7.918 8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.532 -4.948 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.195 -6.112 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.732 -5.168 6.633 1.00 0.00 H new ATOM 276 N VAL A 20 -11.128 -10.142 6.242 1.00 0.00 N ATOM 277 CA VAL A 20 -12.034 -11.247 5.997 1.00 0.00 C ATOM 278 C VAL A 20 -12.497 -11.846 7.317 1.00 0.00 C ATOM 279 O VAL A 20 -11.688 -12.361 8.101 1.00 0.00 O ATOM 280 CB VAL A 20 -11.355 -12.356 5.151 1.00 0.00 C ATOM 281 CG1 VAL A 20 -12.322 -13.501 4.877 1.00 0.00 C ATOM 282 CG2 VAL A 20 -10.809 -11.787 3.847 1.00 0.00 C ATOM 0 H VAL A 20 -10.234 -10.412 6.653 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.888 -10.857 5.444 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.517 -12.751 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.822 -14.265 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.651 -13.934 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.187 -13.124 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.338 -12.584 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.626 -11.355 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.073 -11.014 4.067 1.00 0.00 H new ATOM 292 N GLY A 21 -13.787 -11.779 7.558 1.00 0.00 N ATOM 293 CA GLY A 21 -14.333 -12.313 8.792 1.00 0.00 C ATOM 294 C GLY A 21 -14.780 -13.747 8.655 1.00 0.00 C ATOM 295 O GLY A 21 -14.837 -14.279 7.543 1.00 0.00 O ATOM 0 H GLY A 21 -14.473 -11.366 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.581 -12.244 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.179 -11.701 9.106 1.00 0.00 H new ATOM 299 N GLN A 22 -15.125 -14.371 9.778 1.00 0.00 N ATOM 300 CA GLN A 22 -15.590 -15.758 9.785 1.00 0.00 C ATOM 301 C GLN A 22 -16.917 -15.878 9.080 1.00 0.00 C ATOM 302 O GLN A 22 -17.251 -16.921 8.525 1.00 0.00 O ATOM 303 CB GLN A 22 -15.680 -16.312 11.204 1.00 0.00 C ATOM 304 CG GLN A 22 -14.331 -16.535 11.860 1.00 0.00 C ATOM 305 CD GLN A 22 -14.441 -16.938 13.317 1.00 0.00 C ATOM 306 OE1 GLN A 22 -15.366 -16.535 14.025 1.00 0.00 O ATOM 307 NE2 GLN A 22 -13.510 -17.749 13.770 1.00 0.00 N ATOM 0 H GLN A 22 -15.091 -13.937 10.700 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.856 -16.355 9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.262 -15.624 11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.223 -17.257 11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.791 -17.309 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.741 -15.622 11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.760 -18.060 13.152 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.538 -18.067 14.739 1.00 0.00 H new ATOM 316 N ASP A 23 -17.662 -14.797 9.100 1.00 0.00 N ATOM 317 CA ASP A 23 -18.928 -14.699 8.379 1.00 0.00 C ATOM 318 C ASP A 23 -18.665 -14.656 6.857 1.00 0.00 C ATOM 319 O ASP A 23 -19.587 -14.524 6.050 1.00 0.00 O ATOM 320 CB ASP A 23 -19.670 -13.428 8.836 1.00 0.00 C ATOM 321 CG ASP A 23 -20.978 -13.195 8.108 1.00 0.00 C ATOM 322 OD1 ASP A 23 -21.931 -13.966 8.326 1.00 0.00 O ATOM 323 OD2 ASP A 23 -21.056 -12.232 7.319 1.00 0.00 O ATOM 0 H ASP A 23 -17.414 -13.953 9.616 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.545 -15.571 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.867 -13.497 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -19.021 -12.565 8.686 1.00 0.00 H new ATOM 328 N SER A 24 -17.383 -14.802 6.490 1.00 0.00 N ATOM 329 CA SER A 24 -16.922 -14.720 5.108 1.00 0.00 C ATOM 330 C SER A 24 -17.090 -13.297 4.612 1.00 0.00 C ATOM 331 O SER A 24 -17.227 -13.037 3.416 1.00 0.00 O ATOM 332 CB SER A 24 -17.676 -15.716 4.216 1.00 0.00 C ATOM 333 OG SER A 24 -17.504 -17.049 4.685 1.00 0.00 O ATOM 0 H SER A 24 -16.633 -14.982 7.157 1.00 0.00 H new ATOM 0 HA SER A 24 -15.867 -14.988 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.737 -15.466 4.201 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.315 -15.638 3.191 1.00 0.00 H new ATOM 0 HG SER A 24 -17.994 -17.666 4.103 1.00 0.00 H new ATOM 339 N ASN A 25 -17.031 -12.373 5.559 1.00 0.00 N ATOM 340 CA ASN A 25 -17.195 -10.962 5.264 1.00 0.00 C ATOM 341 C ASN A 25 -15.866 -10.310 4.999 1.00 0.00 C ATOM 342 O ASN A 25 -15.090 -10.078 5.916 1.00 0.00 O ATOM 343 CB ASN A 25 -17.900 -10.233 6.408 1.00 0.00 C ATOM 344 CG ASN A 25 -18.183 -8.769 6.082 1.00 0.00 C ATOM 345 OD1 ASN A 25 -18.438 -8.410 4.930 1.00 0.00 O ATOM 346 ND2 ASN A 25 -18.121 -7.913 7.087 1.00 0.00 N ATOM 0 H ASN A 25 -16.869 -12.580 6.545 1.00 0.00 H new ATOM 0 HA ASN A 25 -17.813 -10.890 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.838 -10.740 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.284 -10.289 7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.287 -6.920 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -17.907 -8.245 8.027 1.00 0.00 H new ATOM 353 N GLU A 26 -15.606 -10.045 3.754 1.00 0.00 N ATOM 354 CA GLU A 26 -14.399 -9.361 3.361 1.00 0.00 C ATOM 355 C GLU A 26 -14.699 -7.904 3.092 1.00 0.00 C ATOM 356 O GLU A 26 -15.633 -7.577 2.362 1.00 0.00 O ATOM 357 CB GLU A 26 -13.776 -9.996 2.122 1.00 0.00 C ATOM 358 CG GLU A 26 -12.564 -9.233 1.589 1.00 0.00 C ATOM 359 CD GLU A 26 -12.089 -9.729 0.239 1.00 0.00 C ATOM 360 OE1 GLU A 26 -11.739 -10.913 0.119 1.00 0.00 O ATOM 361 OE2 GLU A 26 -12.062 -8.920 -0.717 1.00 0.00 O ATOM 0 H GLU A 26 -16.220 -10.294 2.979 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.684 -9.444 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.477 -11.017 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.530 -10.058 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.815 -8.175 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.747 -9.315 2.306 1.00 0.00 H new ATOM 368 N VAL A 27 -13.925 -7.043 3.687 1.00 0.00 N ATOM 369 CA VAL A 27 -14.080 -5.626 3.508 1.00 0.00 C ATOM 370 C VAL A 27 -12.733 -4.986 3.241 1.00 0.00 C ATOM 371 O VAL A 27 -11.721 -5.365 3.832 1.00 0.00 O ATOM 372 CB VAL A 27 -14.774 -4.974 4.727 1.00 0.00 C ATOM 373 CG1 VAL A 27 -14.013 -5.271 5.996 1.00 0.00 C ATOM 374 CG2 VAL A 27 -14.928 -3.475 4.532 1.00 0.00 C ATOM 0 H VAL A 27 -13.164 -7.304 4.314 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.723 -5.459 2.644 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.771 -5.405 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.518 -4.803 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.970 -6.349 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.001 -4.875 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.419 -3.043 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.945 -3.021 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.531 -3.284 3.644 1.00 0.00 H new ATOM 384 N HIS A 28 -12.717 -4.039 2.339 1.00 0.00 N ATOM 385 CA HIS A 28 -11.488 -3.400 1.943 1.00 0.00 C ATOM 386 C HIS A 28 -11.257 -2.127 2.727 1.00 0.00 C ATOM 387 O HIS A 28 -12.004 -1.157 2.601 1.00 0.00 O ATOM 388 CB HIS A 28 -11.514 -3.105 0.445 1.00 0.00 C ATOM 389 CG HIS A 28 -11.603 -4.338 -0.405 1.00 0.00 C ATOM 390 ND1 HIS A 28 -12.096 -4.335 -1.687 1.00 0.00 N ATOM 391 CD2 HIS A 28 -11.262 -5.622 -0.141 1.00 0.00 C ATOM 392 CE1 HIS A 28 -12.059 -5.563 -2.173 1.00 0.00 C ATOM 393 NE2 HIS A 28 -11.557 -6.360 -1.253 1.00 0.00 N ATOM 0 H HIS A 28 -13.548 -3.691 1.861 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.663 -4.079 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -12.364 -2.459 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.614 -2.552 0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.836 -5.994 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.385 -5.862 -3.158 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.412 -7.365 -1.354 1.00 0.00 H new ATOM 401 N PHE A 29 -10.240 -2.152 3.549 1.00 0.00 N ATOM 402 CA PHE A 29 -9.842 -1.000 4.333 1.00 0.00 C ATOM 403 C PHE A 29 -8.531 -0.440 3.859 1.00 0.00 C ATOM 404 O PHE A 29 -7.665 -1.174 3.377 1.00 0.00 O ATOM 405 CB PHE A 29 -9.736 -1.345 5.816 1.00 0.00 C ATOM 406 CG PHE A 29 -11.043 -1.342 6.546 1.00 0.00 C ATOM 407 CD1 PHE A 29 -11.737 -2.511 6.781 1.00 0.00 C ATOM 408 CD2 PHE A 29 -11.577 -0.151 7.005 1.00 0.00 C ATOM 409 CE1 PHE A 29 -12.936 -2.490 7.459 1.00 0.00 C ATOM 410 CE2 PHE A 29 -12.774 -0.129 7.681 1.00 0.00 C ATOM 411 CZ PHE A 29 -13.456 -1.299 7.909 1.00 0.00 C ATOM 0 H PHE A 29 -9.657 -2.976 3.698 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.618 -0.246 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.280 -2.330 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.064 -0.633 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.337 -3.451 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.047 0.773 6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.469 -3.412 7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.178 0.809 8.033 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.397 -1.284 8.439 1.00 0.00 H new ATOM 421 N ARG A 30 -8.389 0.858 3.975 1.00 0.00 N ATOM 422 CA ARG A 30 -7.150 1.498 3.644 1.00 0.00 C ATOM 423 C ARG A 30 -6.452 1.880 4.935 1.00 0.00 C ATOM 424 O ARG A 30 -6.955 2.698 5.710 1.00 0.00 O ATOM 425 CB ARG A 30 -7.371 2.737 2.782 1.00 0.00 C ATOM 426 CG ARG A 30 -6.085 3.287 2.185 1.00 0.00 C ATOM 427 CD ARG A 30 -5.557 2.350 1.108 1.00 0.00 C ATOM 428 NE ARG A 30 -4.374 2.866 0.416 1.00 0.00 N ATOM 429 CZ ARG A 30 -4.391 3.442 -0.792 1.00 0.00 C ATOM 430 NH1 ARG A 30 -5.540 3.638 -1.430 1.00 0.00 N ATOM 431 NH2 ARG A 30 -3.258 3.819 -1.363 1.00 0.00 N ATOM 0 H ARG A 30 -9.122 1.489 4.298 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.536 0.807 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.063 2.493 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.845 3.512 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.267 4.274 1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.337 3.410 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.313 1.389 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.345 2.168 0.378 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.474 2.780 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.418 3.349 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.544 4.078 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.371 3.671 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.272 4.258 -2.284 1.00 0.00 H new ATOM 445 N VAL A 31 -5.317 1.286 5.158 1.00 0.00 N ATOM 446 CA VAL A 31 -4.549 1.487 6.378 1.00 0.00 C ATOM 447 C VAL A 31 -3.080 1.619 6.046 1.00 0.00 C ATOM 448 O VAL A 31 -2.683 1.441 4.914 1.00 0.00 O ATOM 449 CB VAL A 31 -4.745 0.342 7.400 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.195 0.256 7.859 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.295 -0.973 6.822 1.00 0.00 C ATOM 0 H VAL A 31 -4.883 0.639 4.499 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.917 2.404 6.839 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.128 0.565 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.302 -0.558 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.484 1.196 8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.838 0.068 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.442 -1.763 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.878 -1.196 5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.239 -0.913 6.560 1.00 0.00 H new ATOM 461 N LYS A 32 -2.292 1.946 7.015 1.00 0.00 N ATOM 462 CA LYS A 32 -0.880 2.151 6.814 1.00 0.00 C ATOM 463 C LYS A 32 -0.131 0.833 6.998 1.00 0.00 C ATOM 464 O LYS A 32 -0.649 -0.088 7.622 1.00 0.00 O ATOM 465 CB LYS A 32 -0.371 3.169 7.828 1.00 0.00 C ATOM 466 CG LYS A 32 1.017 3.698 7.534 1.00 0.00 C ATOM 467 CD LYS A 32 1.453 4.700 8.581 1.00 0.00 C ATOM 468 CE LYS A 32 2.829 5.261 8.275 1.00 0.00 C ATOM 469 NZ LYS A 32 3.265 6.247 9.293 1.00 0.00 N ATOM 0 H LYS A 32 -2.602 2.081 7.977 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.710 2.520 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.067 4.007 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.371 2.711 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.725 2.870 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.030 4.167 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.730 5.514 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.463 4.223 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.551 4.446 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.818 5.734 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.210 6.606 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.591 7.038 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.301 5.790 10.226 1.00 0.00 H new ATOM 483 N TYR A 33 1.084 0.753 6.458 1.00 0.00 N ATOM 484 CA TYR A 33 1.948 -0.414 6.685 1.00 0.00 C ATOM 485 C TYR A 33 2.124 -0.642 8.185 1.00 0.00 C ATOM 486 O TYR A 33 2.150 -1.774 8.654 1.00 0.00 O ATOM 487 CB TYR A 33 3.349 -0.182 6.095 1.00 0.00 C ATOM 488 CG TYR A 33 3.460 -0.243 4.588 1.00 0.00 C ATOM 489 CD1 TYR A 33 3.494 0.914 3.823 1.00 0.00 C ATOM 490 CD2 TYR A 33 3.564 -1.462 3.935 1.00 0.00 C ATOM 491 CE1 TYR A 33 3.626 0.858 2.448 1.00 0.00 C ATOM 492 CE2 TYR A 33 3.692 -1.531 2.564 1.00 0.00 C ATOM 493 CZ TYR A 33 3.723 -0.368 1.824 1.00 0.00 C ATOM 494 OH TYR A 33 3.849 -0.435 0.457 1.00 0.00 O ATOM 0 H TYR A 33 1.494 1.474 5.864 1.00 0.00 H new ATOM 0 HA TYR A 33 1.475 -1.272 6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.701 0.795 6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.026 -0.924 6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.416 1.875 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.544 -2.375 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.653 1.768 1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.768 -2.490 2.073 1.00 0.00 H new ATOM 0 HH TYR A 33 3.906 -1.373 0.179 1.00 0.00 H new ATOM 504 N GLY A 34 2.239 0.456 8.925 1.00 0.00 N ATOM 505 CA GLY A 34 2.458 0.383 10.351 1.00 0.00 C ATOM 506 C GLY A 34 1.197 0.597 11.146 1.00 0.00 C ATOM 507 O GLY A 34 1.252 1.067 12.282 1.00 0.00 O ATOM 0 H GLY A 34 2.183 1.404 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.878 -0.591 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.196 1.132 10.640 1.00 0.00 H new ATOM 511 N THR A 35 0.061 0.297 10.550 1.00 0.00 N ATOM 512 CA THR A 35 -1.189 0.444 11.219 1.00 0.00 C ATOM 513 C THR A 35 -1.391 -0.602 12.311 1.00 0.00 C ATOM 514 O THR A 35 -1.250 -1.800 12.086 1.00 0.00 O ATOM 515 CB THR A 35 -2.354 0.443 10.227 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.553 1.770 9.723 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.620 -0.082 10.857 1.00 0.00 C ATOM 0 H THR A 35 -0.008 -0.052 9.594 1.00 0.00 H new ATOM 0 HA THR A 35 -1.168 1.415 11.713 1.00 0.00 H new ATOM 0 HB THR A 35 -2.104 -0.225 9.402 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.500 2.011 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.425 -0.068 10.122 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.459 -1.104 11.199 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.892 0.546 11.705 1.00 0.00 H new ATOM 525 N SER A 36 -1.727 -0.115 13.484 1.00 0.00 N ATOM 526 CA SER A 36 -1.942 -0.945 14.637 1.00 0.00 C ATOM 527 C SER A 36 -3.411 -1.319 14.775 1.00 0.00 C ATOM 528 O SER A 36 -4.279 -0.678 14.171 1.00 0.00 O ATOM 529 CB SER A 36 -1.435 -0.237 15.873 1.00 0.00 C ATOM 530 OG SER A 36 -0.022 -0.115 15.827 1.00 0.00 O ATOM 0 H SER A 36 -1.859 0.881 13.661 1.00 0.00 H new ATOM 0 HA SER A 36 -1.385 -1.874 14.514 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.890 0.751 15.947 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.730 -0.791 16.764 1.00 0.00 H new ATOM 0 HG SER A 36 0.293 0.347 16.632 1.00 0.00 H new ATOM 536 N MET A 37 -3.682 -2.335 15.597 1.00 0.00 N ATOM 537 CA MET A 37 -5.038 -2.899 15.762 1.00 0.00 C ATOM 538 C MET A 37 -6.135 -1.843 15.962 1.00 0.00 C ATOM 539 O MET A 37 -7.221 -1.977 15.410 1.00 0.00 O ATOM 540 CB MET A 37 -5.087 -3.875 16.944 1.00 0.00 C ATOM 541 CG MET A 37 -4.988 -3.213 18.316 1.00 0.00 C ATOM 542 SD MET A 37 -5.224 -4.373 19.676 1.00 0.00 S ATOM 543 CE MET A 37 -5.071 -3.281 21.087 1.00 0.00 C ATOM 0 H MET A 37 -2.974 -2.795 16.170 1.00 0.00 H new ATOM 0 HA MET A 37 -5.242 -3.414 14.823 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.018 -4.440 16.894 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.272 -4.592 16.841 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.011 -2.739 18.415 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.735 -2.422 18.387 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.219 -3.587 21.693 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.921 -2.258 20.741 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.980 -3.332 21.687 1.00 0.00 H new ATOM 553 N ALA A 38 -5.846 -0.796 16.717 1.00 0.00 N ATOM 554 CA ALA A 38 -6.859 0.202 17.046 1.00 0.00 C ATOM 555 C ALA A 38 -7.418 0.882 15.813 1.00 0.00 C ATOM 556 O ALA A 38 -8.608 1.162 15.746 1.00 0.00 O ATOM 557 CB ALA A 38 -6.321 1.231 18.012 1.00 0.00 C ATOM 0 H ALA A 38 -4.924 -0.612 17.113 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.677 -0.334 17.526 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.099 1.960 18.237 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.008 0.738 18.932 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.467 1.739 17.564 1.00 0.00 H new ATOM 563 N LYS A 39 -6.562 1.123 14.837 1.00 0.00 N ATOM 564 CA LYS A 39 -6.954 1.845 13.635 1.00 0.00 C ATOM 565 C LYS A 39 -8.061 1.091 12.893 1.00 0.00 C ATOM 566 O LYS A 39 -9.009 1.693 12.397 1.00 0.00 O ATOM 567 CB LYS A 39 -5.743 2.008 12.710 1.00 0.00 C ATOM 568 CG LYS A 39 -4.566 2.745 13.351 1.00 0.00 C ATOM 569 CD LYS A 39 -4.934 4.170 13.706 1.00 0.00 C ATOM 570 CE LYS A 39 -3.758 4.933 14.286 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.135 6.321 14.660 1.00 0.00 N ATOM 0 H LYS A 39 -5.585 0.829 14.851 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.328 2.826 13.927 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.409 1.022 12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.052 2.548 11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.248 2.215 14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.719 2.746 12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.296 4.684 12.815 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.753 4.164 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.381 4.409 15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.947 4.960 13.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.306 6.812 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.471 6.829 13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.892 6.295 15.373 1.00 0.00 H new ATOM 585 N LEU A 40 -7.931 -0.226 12.840 1.00 0.00 N ATOM 586 CA LEU A 40 -8.894 -1.068 12.141 1.00 0.00 C ATOM 587 C LEU A 40 -10.054 -1.486 13.034 1.00 0.00 C ATOM 588 O LEU A 40 -11.202 -1.449 12.620 1.00 0.00 O ATOM 589 CB LEU A 40 -8.223 -2.307 11.517 1.00 0.00 C ATOM 590 CG LEU A 40 -7.213 -3.067 12.392 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.179 -4.526 11.998 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.829 -2.476 12.219 1.00 0.00 C ATOM 0 H LEU A 40 -7.164 -0.738 13.275 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.301 -0.457 11.335 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.007 -3.004 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.714 -1.994 10.606 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.521 -2.978 13.434 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.460 -5.055 12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.169 -4.963 12.133 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.883 -4.614 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.120 -3.021 12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.528 -2.554 11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.842 -1.427 12.515 1.00 0.00 H new ATOM 604 N LYS A 41 -9.742 -1.892 14.256 1.00 0.00 N ATOM 605 CA LYS A 41 -10.750 -2.385 15.191 1.00 0.00 C ATOM 606 C LYS A 41 -11.746 -1.332 15.533 1.00 0.00 C ATOM 607 O LYS A 41 -12.939 -1.586 15.530 1.00 0.00 O ATOM 608 CB LYS A 41 -10.076 -2.879 16.445 1.00 0.00 C ATOM 609 CG LYS A 41 -9.279 -4.128 16.224 1.00 0.00 C ATOM 610 CD LYS A 41 -8.419 -4.452 17.404 1.00 0.00 C ATOM 611 CE LYS A 41 -9.241 -4.855 18.621 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.379 -5.247 19.764 1.00 0.00 N ATOM 0 H LYS A 41 -8.792 -1.890 14.628 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.285 -3.204 14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.420 -2.099 16.831 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.831 -3.066 17.208 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.954 -4.960 16.027 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.653 -4.009 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.738 -5.262 17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.805 -3.586 17.653 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.882 -4.025 18.917 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.896 -5.686 18.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.746 -4.820 20.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.378 -6.283 19.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.408 -4.914 19.597 1.00 0.00 H new ATOM 626 N LYS A 42 -11.261 -0.149 15.813 1.00 0.00 N ATOM 627 CA LYS A 42 -12.144 0.962 16.080 1.00 0.00 C ATOM 628 C LYS A 42 -12.997 1.230 14.865 1.00 0.00 C ATOM 629 O LYS A 42 -14.191 1.441 14.973 1.00 0.00 O ATOM 630 CB LYS A 42 -11.356 2.224 16.455 1.00 0.00 C ATOM 631 CG LYS A 42 -12.235 3.448 16.696 1.00 0.00 C ATOM 632 CD LYS A 42 -11.413 4.682 17.048 1.00 0.00 C ATOM 633 CE LYS A 42 -10.783 4.568 18.427 1.00 0.00 C ATOM 634 NZ LYS A 42 -11.810 4.482 19.503 1.00 0.00 N ATOM 0 H LYS A 42 -10.266 0.071 15.862 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.779 0.700 16.926 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.773 2.024 17.354 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.646 2.448 15.659 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.828 3.650 15.804 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.936 3.237 17.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.631 4.822 16.302 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.050 5.565 17.012 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.145 3.685 18.463 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.142 5.431 18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.366 4.677 20.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.559 5.181 19.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.223 3.528 19.513 1.00 0.00 H new ATOM 648 N SER A 43 -12.364 1.195 13.711 1.00 0.00 N ATOM 649 CA SER A 43 -13.032 1.498 12.454 1.00 0.00 C ATOM 650 C SER A 43 -14.118 0.454 12.106 1.00 0.00 C ATOM 651 O SER A 43 -15.269 0.805 11.822 1.00 0.00 O ATOM 652 CB SER A 43 -11.989 1.583 11.332 1.00 0.00 C ATOM 653 OG SER A 43 -12.593 1.895 10.091 1.00 0.00 O ATOM 0 H SER A 43 -11.377 0.957 13.613 1.00 0.00 H new ATOM 0 HA SER A 43 -13.538 2.458 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.247 2.343 11.579 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.459 0.634 11.253 1.00 0.00 H new ATOM 0 HG SER A 43 -12.422 1.171 9.453 1.00 0.00 H new ATOM 659 N TYR A 44 -13.747 -0.819 12.138 1.00 0.00 N ATOM 660 CA TYR A 44 -14.662 -1.901 11.816 1.00 0.00 C ATOM 661 C TYR A 44 -15.766 -2.017 12.843 1.00 0.00 C ATOM 662 O TYR A 44 -16.934 -2.142 12.496 1.00 0.00 O ATOM 663 CB TYR A 44 -13.899 -3.206 11.724 1.00 0.00 C ATOM 664 CG TYR A 44 -14.706 -4.377 11.210 1.00 0.00 C ATOM 665 CD1 TYR A 44 -14.662 -4.737 9.872 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.504 -5.120 12.062 1.00 0.00 C ATOM 667 CE1 TYR A 44 -15.390 -5.811 9.396 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.238 -6.193 11.600 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.179 -6.537 10.263 1.00 0.00 C ATOM 670 OH TYR A 44 -16.902 -7.613 9.794 1.00 0.00 O ATOM 0 H TYR A 44 -12.807 -1.128 12.387 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.124 -1.679 10.854 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.038 -3.062 11.072 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.512 -3.455 12.712 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.048 -4.168 9.190 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.553 -4.855 13.108 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.341 -6.080 8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.856 -6.761 12.280 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.404 -8.016 10.532 1.00 0.00 H new ATOM 680 N ALA A 45 -15.396 -1.980 14.107 1.00 0.00 N ATOM 681 CA ALA A 45 -16.374 -2.069 15.177 1.00 0.00 C ATOM 682 C ALA A 45 -17.347 -0.917 15.081 1.00 0.00 C ATOM 683 O ALA A 45 -18.534 -1.055 15.370 1.00 0.00 O ATOM 684 CB ALA A 45 -15.708 -2.089 16.537 1.00 0.00 C ATOM 0 H ALA A 45 -14.429 -1.889 14.420 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.917 -3.007 15.064 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.469 -2.156 17.314 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -15.044 -2.951 16.604 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.131 -1.175 16.673 1.00 0.00 H new ATOM 690 N ASP A 46 -16.829 0.217 14.662 1.00 0.00 N ATOM 691 CA ASP A 46 -17.626 1.442 14.550 1.00 0.00 C ATOM 692 C ASP A 46 -18.718 1.297 13.506 1.00 0.00 C ATOM 693 O ASP A 46 -19.878 1.614 13.758 1.00 0.00 O ATOM 694 CB ASP A 46 -16.740 2.626 14.192 1.00 0.00 C ATOM 695 CG ASP A 46 -17.501 3.929 14.137 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.842 4.467 15.212 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.761 4.423 13.020 1.00 0.00 O ATOM 0 H ASP A 46 -15.852 0.327 14.389 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.092 1.617 15.520 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.938 2.709 14.926 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.270 2.444 13.226 1.00 0.00 H new ATOM 702 N ARG A 47 -18.346 0.787 12.338 1.00 0.00 N ATOM 703 CA ARG A 47 -19.288 0.636 11.234 1.00 0.00 C ATOM 704 C ARG A 47 -20.377 -0.381 11.562 1.00 0.00 C ATOM 705 O ARG A 47 -21.498 -0.293 11.056 1.00 0.00 O ATOM 706 CB ARG A 47 -18.564 0.225 9.949 1.00 0.00 C ATOM 707 CG ARG A 47 -17.976 -1.171 9.982 1.00 0.00 C ATOM 708 CD ARG A 47 -17.476 -1.586 8.622 1.00 0.00 C ATOM 709 NE ARG A 47 -18.579 -1.743 7.679 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.442 -1.867 6.365 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.261 -1.694 5.795 1.00 0.00 N ATOM 712 NH2 ARG A 47 -19.501 -2.123 5.618 1.00 0.00 N ATOM 0 H ARG A 47 -17.399 0.471 12.130 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.760 1.606 11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.263 0.292 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.764 0.939 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.156 -1.206 10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.731 -1.878 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.776 -0.840 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.928 -2.525 8.704 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.526 -1.759 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.448 -1.464 6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.163 -1.791 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.419 -2.224 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.401 -2.219 4.607 1.00 0.00 H new ATOM 726 N THR A 48 -20.048 -1.340 12.404 1.00 0.00 N ATOM 727 CA THR A 48 -20.999 -2.365 12.776 1.00 0.00 C ATOM 728 C THR A 48 -21.745 -1.990 14.062 1.00 0.00 C ATOM 729 O THR A 48 -22.699 -2.661 14.454 1.00 0.00 O ATOM 730 CB THR A 48 -20.324 -3.760 12.908 1.00 0.00 C ATOM 731 OG1 THR A 48 -21.285 -4.750 13.313 1.00 0.00 O ATOM 732 CG2 THR A 48 -19.179 -3.723 13.896 1.00 0.00 C ATOM 0 H THR A 48 -19.131 -1.430 12.842 1.00 0.00 H new ATOM 0 HA THR A 48 -21.730 -2.433 11.970 1.00 0.00 H new ATOM 0 HB THR A 48 -19.926 -4.028 11.929 1.00 0.00 H new ATOM 0 HG1 THR A 48 -22.059 -4.307 13.719 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.727 -4.712 13.967 1.00 0.00 H new ATOM 0 HG22 THR A 48 -18.431 -3.006 13.559 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.553 -3.424 14.875 1.00 0.00 H new ATOM 740 N GLY A 49 -21.303 -0.914 14.710 1.00 0.00 N ATOM 741 CA GLY A 49 -21.962 -0.446 15.918 1.00 0.00 C ATOM 742 C GLY A 49 -21.757 -1.369 17.104 1.00 0.00 C ATOM 743 O GLY A 49 -22.619 -1.467 17.979 1.00 0.00 O ATOM 0 H GLY A 49 -20.499 -0.358 14.419 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.586 0.546 16.168 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -23.030 -0.343 15.726 1.00 0.00 H new ATOM 747 N VAL A 50 -20.621 -2.035 17.141 1.00 0.00 N ATOM 748 CA VAL A 50 -20.317 -2.969 18.208 1.00 0.00 C ATOM 749 C VAL A 50 -19.125 -2.452 19.016 1.00 0.00 C ATOM 750 O VAL A 50 -18.478 -1.476 18.617 1.00 0.00 O ATOM 751 CB VAL A 50 -19.997 -4.377 17.633 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.563 -4.471 17.153 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.317 -5.474 18.630 1.00 0.00 C ATOM 0 H VAL A 50 -19.887 -1.946 16.438 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.188 -3.054 18.857 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.642 -4.524 16.767 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.376 -5.470 16.758 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.393 -3.733 16.369 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.887 -4.278 17.986 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -20.080 -6.444 18.192 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.724 -5.329 19.533 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.377 -5.439 18.882 1.00 0.00 H new ATOM 763 N ALA A 51 -18.862 -3.078 20.155 1.00 0.00 N ATOM 764 CA ALA A 51 -17.734 -2.711 20.992 1.00 0.00 C ATOM 765 C ALA A 51 -16.420 -2.881 20.231 1.00 0.00 C ATOM 766 O ALA A 51 -16.216 -3.881 19.541 1.00 0.00 O ATOM 767 CB ALA A 51 -17.725 -3.573 22.249 1.00 0.00 C ATOM 0 H ALA A 51 -19.421 -3.849 20.521 1.00 0.00 H new ATOM 0 HA ALA A 51 -17.834 -1.663 21.274 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.877 -3.295 22.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.651 -3.418 22.803 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.641 -4.623 21.969 1.00 0.00 H new ATOM 773 N VAL A 52 -15.534 -1.915 20.369 1.00 0.00 N ATOM 774 CA VAL A 52 -14.238 -1.963 19.707 1.00 0.00 C ATOM 775 C VAL A 52 -13.452 -3.162 20.200 1.00 0.00 C ATOM 776 O VAL A 52 -12.856 -3.903 19.419 1.00 0.00 O ATOM 777 CB VAL A 52 -13.427 -0.668 19.967 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.004 -0.790 19.432 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.129 0.532 19.354 1.00 0.00 C ATOM 0 H VAL A 52 -15.686 -1.081 20.936 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.410 -2.051 18.634 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.366 -0.521 21.045 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.461 0.134 19.629 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.499 -1.620 19.926 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.034 -0.971 18.358 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.545 1.432 19.546 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.227 0.386 18.278 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.119 0.640 19.797 1.00 0.00 H new ATOM 789 N ASN A 53 -13.480 -3.358 21.502 1.00 0.00 N ATOM 790 CA ASN A 53 -12.770 -4.459 22.133 1.00 0.00 C ATOM 791 C ASN A 53 -13.426 -5.803 21.833 1.00 0.00 C ATOM 792 O ASN A 53 -12.785 -6.845 21.935 1.00 0.00 O ATOM 793 CB ASN A 53 -12.650 -4.240 23.641 1.00 0.00 C ATOM 794 CG ASN A 53 -11.645 -3.154 23.996 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.361 -2.259 23.193 1.00 0.00 O ATOM 796 ND2 ASN A 53 -11.106 -3.218 25.193 1.00 0.00 N ATOM 0 H ASN A 53 -13.992 -2.763 22.153 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.767 -4.482 21.708 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.627 -3.972 24.044 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.353 -5.174 24.118 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.429 -2.514 25.486 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.365 -3.972 25.829 1.00 0.00 H new ATOM 803 N SER A 54 -14.713 -5.785 21.468 1.00 0.00 N ATOM 804 CA SER A 54 -15.408 -7.026 21.149 1.00 0.00 C ATOM 805 C SER A 54 -14.993 -7.532 19.777 1.00 0.00 C ATOM 806 O SER A 54 -15.275 -8.674 19.411 1.00 0.00 O ATOM 807 CB SER A 54 -16.935 -6.872 21.231 1.00 0.00 C ATOM 808 OG SER A 54 -17.449 -6.036 20.217 1.00 0.00 O ATOM 0 H SER A 54 -15.280 -4.941 21.389 1.00 0.00 H new ATOM 0 HA SER A 54 -15.118 -7.762 21.899 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.401 -7.855 21.158 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.204 -6.464 22.205 1.00 0.00 H new ATOM 0 HG SER A 54 -16.730 -5.474 19.860 1.00 0.00 H new ATOM 814 N LEU A 55 -14.319 -6.679 19.027 1.00 0.00 N ATOM 815 CA LEU A 55 -13.816 -7.044 17.724 1.00 0.00 C ATOM 816 C LEU A 55 -12.382 -7.507 17.868 1.00 0.00 C ATOM 817 O LEU A 55 -11.577 -6.855 18.530 1.00 0.00 O ATOM 818 CB LEU A 55 -13.862 -5.840 16.773 1.00 0.00 C ATOM 819 CG LEU A 55 -14.605 -6.042 15.449 1.00 0.00 C ATOM 820 CD1 LEU A 55 -14.137 -7.302 14.738 1.00 0.00 C ATOM 821 CD2 LEU A 55 -16.093 -6.087 15.676 1.00 0.00 C ATOM 0 H LEU A 55 -14.108 -5.721 19.306 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.436 -7.841 17.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.326 -5.006 17.300 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.837 -5.544 16.547 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.376 -5.191 14.808 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.684 -7.416 13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.070 -7.226 14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.321 -8.168 15.374 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.602 -6.231 14.723 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.334 -6.913 16.345 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.421 -5.149 16.125 1.00 0.00 H new ATOM 833 N ARG A 56 -12.060 -8.625 17.261 1.00 0.00 N ATOM 834 CA ARG A 56 -10.720 -9.155 17.353 1.00 0.00 C ATOM 835 C ARG A 56 -10.175 -9.463 15.974 1.00 0.00 C ATOM 836 O ARG A 56 -10.748 -10.262 15.224 1.00 0.00 O ATOM 837 CB ARG A 56 -10.662 -10.401 18.265 1.00 0.00 C ATOM 838 CG ARG A 56 -11.713 -11.469 17.970 1.00 0.00 C ATOM 839 CD ARG A 56 -12.972 -11.299 18.820 1.00 0.00 C ATOM 840 NE ARG A 56 -12.707 -11.478 20.256 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.634 -11.828 21.164 1.00 0.00 C ATOM 842 NH1 ARG A 56 -14.861 -12.151 20.777 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.317 -11.897 22.450 1.00 0.00 N ATOM 0 H ARG A 56 -12.704 -9.183 16.701 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.090 -8.392 17.809 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.674 -10.852 18.176 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.774 -10.080 19.301 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.982 -11.428 16.915 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.286 -12.455 18.152 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.390 -10.306 18.651 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.724 -12.020 18.499 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.754 -11.326 20.585 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.104 -12.134 19.787 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.561 -12.416 21.470 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.367 -11.684 22.753 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.024 -12.163 23.136 1.00 0.00 H new ATOM 857 N PHE A 57 -9.082 -8.815 15.641 1.00 0.00 N ATOM 858 CA PHE A 57 -8.441 -8.987 14.356 1.00 0.00 C ATOM 859 C PHE A 57 -7.126 -9.711 14.515 1.00 0.00 C ATOM 860 O PHE A 57 -6.326 -9.388 15.407 1.00 0.00 O ATOM 861 CB PHE A 57 -8.191 -7.630 13.718 1.00 0.00 C ATOM 862 CG PHE A 57 -9.428 -6.922 13.257 1.00 0.00 C ATOM 863 CD1 PHE A 57 -10.307 -6.384 14.164 1.00 0.00 C ATOM 864 CD2 PHE A 57 -9.681 -6.758 11.916 1.00 0.00 C ATOM 865 CE1 PHE A 57 -11.421 -5.699 13.744 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.795 -6.081 11.486 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.664 -5.550 12.401 1.00 0.00 C ATOM 0 H PHE A 57 -8.610 -8.151 16.255 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.099 -9.578 13.718 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.671 -6.996 14.436 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.524 -7.761 12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.120 -6.501 15.221 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.994 -7.168 11.190 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.104 -5.279 14.468 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.985 -5.968 10.429 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.540 -5.014 12.067 1.00 0.00 H new ATOM 877 N LEU A 58 -6.899 -10.680 13.667 1.00 0.00 N ATOM 878 CA LEU A 58 -5.678 -11.435 13.685 1.00 0.00 C ATOM 879 C LEU A 58 -5.029 -11.441 12.324 1.00 0.00 C ATOM 880 O LEU A 58 -5.704 -11.431 11.297 1.00 0.00 O ATOM 881 CB LEU A 58 -5.903 -12.876 14.161 1.00 0.00 C ATOM 882 CG LEU A 58 -5.901 -13.092 15.681 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.199 -12.647 16.315 1.00 0.00 C ATOM 884 CD2 LEU A 58 -5.587 -14.535 16.030 1.00 0.00 C ATOM 0 H LEU A 58 -7.558 -10.967 12.944 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.012 -10.945 14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.858 -13.223 13.766 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.129 -13.507 13.724 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.109 -12.467 16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.156 -12.817 17.391 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.353 -11.585 16.121 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.025 -13.217 15.891 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.593 -14.657 17.113 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.339 -15.188 15.587 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.603 -14.798 15.641 1.00 0.00 H new ATOM 896 N PHE A 59 -3.727 -11.437 12.318 1.00 0.00 N ATOM 897 CA PHE A 59 -2.981 -11.506 11.098 1.00 0.00 C ATOM 898 C PHE A 59 -2.160 -12.768 11.090 1.00 0.00 C ATOM 899 O PHE A 59 -1.324 -12.961 11.952 1.00 0.00 O ATOM 900 CB PHE A 59 -2.066 -10.294 10.940 1.00 0.00 C ATOM 901 CG PHE A 59 -1.247 -10.360 9.687 1.00 0.00 C ATOM 902 CD1 PHE A 59 -1.828 -10.121 8.461 1.00 0.00 C ATOM 903 CD2 PHE A 59 0.100 -10.672 9.739 1.00 0.00 C ATOM 904 CE1 PHE A 59 -1.085 -10.190 7.302 1.00 0.00 C ATOM 905 CE2 PHE A 59 0.850 -10.745 8.585 1.00 0.00 C ATOM 906 CZ PHE A 59 0.257 -10.504 7.363 1.00 0.00 C ATOM 0 H PHE A 59 -3.154 -11.386 13.160 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.681 -11.510 10.263 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.668 -9.386 10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.402 -10.227 11.802 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.879 -9.877 8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.569 -10.860 10.694 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.553 -9.999 6.348 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.900 -10.991 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.842 -10.561 6.457 1.00 0.00 H new ATOM 916 N ASP A 60 -2.422 -13.632 10.133 1.00 0.00 N ATOM 917 CA ASP A 60 -1.693 -14.905 9.995 1.00 0.00 C ATOM 918 C ASP A 60 -1.729 -15.724 11.303 1.00 0.00 C ATOM 919 O ASP A 60 -0.817 -16.495 11.611 1.00 0.00 O ATOM 920 CB ASP A 60 -0.252 -14.636 9.560 1.00 0.00 C ATOM 921 CG ASP A 60 0.478 -15.889 9.118 1.00 0.00 C ATOM 922 OD1 ASP A 60 -0.056 -16.623 8.256 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.594 -16.139 9.623 1.00 0.00 O ATOM 0 H ASP A 60 -3.141 -13.486 9.424 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.189 -15.500 9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.254 -13.916 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.292 -14.178 10.386 1.00 0.00 H new ATOM 928 N GLY A 61 -2.792 -15.549 12.053 1.00 0.00 N ATOM 929 CA GLY A 61 -2.980 -16.306 13.274 1.00 0.00 C ATOM 930 C GLY A 61 -2.398 -15.633 14.498 1.00 0.00 C ATOM 931 O GLY A 61 -2.385 -16.212 15.580 1.00 0.00 O ATOM 0 H GLY A 61 -3.541 -14.890 11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.046 -16.468 13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.522 -17.288 13.157 1.00 0.00 H new ATOM 935 N ARG A 62 -1.914 -14.414 14.339 1.00 0.00 N ATOM 936 CA ARG A 62 -1.394 -13.671 15.473 1.00 0.00 C ATOM 937 C ARG A 62 -2.222 -12.436 15.694 1.00 0.00 C ATOM 938 O ARG A 62 -2.695 -11.811 14.748 1.00 0.00 O ATOM 939 CB ARG A 62 0.111 -13.348 15.297 1.00 0.00 C ATOM 940 CG ARG A 62 0.479 -12.445 14.110 1.00 0.00 C ATOM 941 CD ARG A 62 0.278 -10.956 14.402 1.00 0.00 C ATOM 942 NE ARG A 62 1.304 -10.415 15.302 1.00 0.00 N ATOM 943 CZ ARG A 62 1.346 -9.137 15.718 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.401 -8.276 15.339 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.329 -8.732 16.513 1.00 0.00 N ATOM 0 H ARG A 62 -1.870 -13.922 13.447 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.469 -14.291 16.367 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.468 -12.874 16.211 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.653 -14.288 15.193 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.520 -12.618 13.839 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.126 -12.725 13.247 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.292 -10.400 13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.706 -10.806 14.846 1.00 0.00 H new ATOM 0 HE ARG A 62 2.031 -11.049 15.633 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.357 -8.586 14.731 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.436 -7.307 15.657 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.051 -9.390 16.807 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.362 -7.763 16.830 1.00 0.00 H new ATOM 959 N ARG A 63 -2.396 -12.099 16.932 1.00 0.00 N ATOM 960 CA ARG A 63 -3.242 -11.001 17.318 1.00 0.00 C ATOM 961 C ARG A 63 -2.595 -9.679 16.990 1.00 0.00 C ATOM 962 O ARG A 63 -1.446 -9.435 17.342 1.00 0.00 O ATOM 963 CB ARG A 63 -3.519 -11.117 18.802 1.00 0.00 C ATOM 964 CG ARG A 63 -4.207 -12.421 19.154 1.00 0.00 C ATOM 965 CD ARG A 63 -4.231 -12.661 20.643 1.00 0.00 C ATOM 966 NE ARG A 63 -5.103 -11.721 21.361 1.00 0.00 N ATOM 967 CZ ARG A 63 -4.674 -10.771 22.203 1.00 0.00 C ATOM 968 NH1 ARG A 63 -3.376 -10.567 22.378 1.00 0.00 N ATOM 969 NH2 ARG A 63 -5.549 -10.017 22.858 1.00 0.00 N ATOM 0 H ARG A 63 -1.953 -12.579 17.715 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.179 -11.043 16.763 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.581 -11.043 19.352 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.142 -10.281 19.120 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.228 -12.407 18.772 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.693 -13.247 18.662 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.567 -13.680 20.836 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.217 -12.580 21.035 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.108 -11.797 21.207 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.698 -11.135 21.870 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.056 -9.842 23.020 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.549 -10.161 22.721 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.221 -9.294 23.499 1.00 0.00 H new ATOM 983 N ILE A 64 -3.336 -8.837 16.301 1.00 0.00 N ATOM 984 CA ILE A 64 -2.861 -7.520 15.957 1.00 0.00 C ATOM 985 C ILE A 64 -3.030 -6.645 17.180 1.00 0.00 C ATOM 986 O ILE A 64 -4.102 -6.625 17.783 1.00 0.00 O ATOM 987 CB ILE A 64 -3.656 -6.936 14.755 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.556 -7.884 13.554 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.116 -5.563 14.371 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.449 -7.497 12.392 1.00 0.00 C ATOM 0 H ILE A 64 -4.277 -9.047 15.967 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.814 -7.564 15.656 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.700 -6.831 15.049 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.522 -7.913 13.211 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.813 -8.893 13.877 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.685 -5.171 13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.210 -4.885 15.219 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.066 -5.650 14.091 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.323 -8.215 11.581 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.489 -7.496 12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.178 -6.501 12.041 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.986 -5.952 17.559 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.992 -5.180 18.789 1.00 0.00 C ATOM 1004 C ASN A 65 -1.630 -3.735 18.536 1.00 0.00 C ATOM 1005 O ASN A 65 -1.367 -3.338 17.415 1.00 0.00 O ATOM 1006 CB ASN A 65 -1.031 -5.791 19.817 1.00 0.00 C ATOM 1007 CG ASN A 65 -1.504 -7.135 20.352 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -2.705 -7.391 20.461 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -0.565 -7.993 20.699 1.00 0.00 N ATOM 0 H ASN A 65 -1.113 -5.903 17.034 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.005 -5.211 19.190 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.049 -5.914 19.359 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.910 -5.098 20.649 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.822 -8.907 21.073 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.418 -7.743 20.593 1.00 0.00 H new ATOM 1016 N ASP A 66 -1.676 -2.939 19.582 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.308 -1.533 19.490 1.00 0.00 C ATOM 1018 C ASP A 66 0.202 -1.367 19.597 1.00 0.00 C ATOM 1019 O ASP A 66 0.732 -0.276 19.423 1.00 0.00 O ATOM 1020 CB ASP A 66 -1.991 -0.731 20.596 1.00 0.00 C ATOM 1021 CG ASP A 66 -1.544 -1.152 21.983 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -1.939 -2.255 22.434 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -0.802 -0.384 22.632 1.00 0.00 O ATOM 0 H ASP A 66 -1.966 -3.239 20.513 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.638 -1.158 18.521 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.778 0.329 20.456 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.071 -0.853 20.514 1.00 0.00 H new ATOM 1028 N ASP A 67 0.882 -2.460 19.883 1.00 0.00 N ATOM 1029 CA ASP A 67 2.327 -2.435 20.095 1.00 0.00 C ATOM 1030 C ASP A 67 3.102 -2.947 18.878 1.00 0.00 C ATOM 1031 O ASP A 67 4.320 -2.746 18.778 1.00 0.00 O ATOM 1032 CB ASP A 67 2.684 -3.272 21.328 1.00 0.00 C ATOM 1033 CG ASP A 67 4.172 -3.331 21.592 1.00 0.00 C ATOM 1034 OD1 ASP A 67 4.738 -2.323 22.055 1.00 0.00 O ATOM 1035 OD2 ASP A 67 4.784 -4.391 21.337 1.00 0.00 O ATOM 0 H ASP A 67 0.460 -3.384 19.976 1.00 0.00 H new ATOM 0 HA ASP A 67 2.616 -1.396 20.252 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.182 -2.855 22.201 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.304 -4.285 21.195 1.00 0.00 H new ATOM 1040 N ASP A 68 2.408 -3.576 17.947 1.00 0.00 N ATOM 1041 CA ASP A 68 3.073 -4.170 16.797 1.00 0.00 C ATOM 1042 C ASP A 68 3.615 -3.134 15.815 1.00 0.00 C ATOM 1043 O ASP A 68 3.278 -1.945 15.876 1.00 0.00 O ATOM 1044 CB ASP A 68 2.196 -5.219 16.101 1.00 0.00 C ATOM 1045 CG ASP A 68 0.833 -4.725 15.689 1.00 0.00 C ATOM 1046 OD1 ASP A 68 0.682 -3.529 15.382 1.00 0.00 O ATOM 1047 OD2 ASP A 68 -0.102 -5.562 15.687 1.00 0.00 O ATOM 0 H ASP A 68 1.394 -3.689 17.962 1.00 0.00 H new ATOM 0 HA ASP A 68 3.944 -4.691 17.193 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.719 -5.581 15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.072 -6.071 16.769 1.00 0.00 H new ATOM 1052 N THR A 69 4.477 -3.599 14.929 1.00 0.00 N ATOM 1053 CA THR A 69 5.161 -2.749 13.984 1.00 0.00 C ATOM 1054 C THR A 69 4.908 -3.210 12.546 1.00 0.00 C ATOM 1055 O THR A 69 4.554 -4.370 12.310 1.00 0.00 O ATOM 1056 CB THR A 69 6.673 -2.758 14.278 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.155 -4.109 14.288 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.968 -2.096 15.617 1.00 0.00 C ATOM 0 H THR A 69 4.721 -4.586 14.848 1.00 0.00 H new ATOM 0 HA THR A 69 4.774 -1.736 14.090 1.00 0.00 H new ATOM 0 HB THR A 69 7.181 -2.194 13.496 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.806 -4.219 15.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.042 -2.114 15.803 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.621 -1.063 15.597 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.453 -2.636 16.411 1.00 0.00 H new ATOM 1066 N PRO A 70 5.111 -2.314 11.560 1.00 0.00 N ATOM 1067 CA PRO A 70 4.835 -2.606 10.145 1.00 0.00 C ATOM 1068 C PRO A 70 5.614 -3.801 9.590 1.00 0.00 C ATOM 1069 O PRO A 70 5.116 -4.512 8.719 1.00 0.00 O ATOM 1070 CB PRO A 70 5.273 -1.320 9.420 1.00 0.00 C ATOM 1071 CG PRO A 70 6.145 -0.605 10.392 1.00 0.00 C ATOM 1072 CD PRO A 70 5.595 -0.933 11.740 1.00 0.00 C ATOM 0 HA PRO A 70 3.788 -2.876 10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.812 -1.550 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.412 -0.712 9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.182 -0.930 10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.131 0.470 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.358 -0.868 12.516 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.791 -0.255 12.026 1.00 0.00 H new ATOM 1080 N LYS A 71 6.817 -4.046 10.097 1.00 0.00 N ATOM 1081 CA LYS A 71 7.613 -5.141 9.562 1.00 0.00 C ATOM 1082 C LYS A 71 7.183 -6.497 10.141 1.00 0.00 C ATOM 1083 O LYS A 71 7.328 -7.524 9.483 1.00 0.00 O ATOM 1084 CB LYS A 71 9.126 -4.905 9.744 1.00 0.00 C ATOM 1085 CG LYS A 71 9.757 -5.638 10.914 1.00 0.00 C ATOM 1086 CD LYS A 71 9.401 -5.009 12.240 1.00 0.00 C ATOM 1087 CE LYS A 71 9.754 -5.934 13.381 1.00 0.00 C ATOM 1088 NZ LYS A 71 11.215 -6.216 13.435 1.00 0.00 N ATOM 0 H LYS A 71 7.251 -3.519 10.855 1.00 0.00 H new ATOM 0 HA LYS A 71 7.421 -5.169 8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.637 -5.205 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.299 -3.836 9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.431 -6.678 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.841 -5.643 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.932 -4.064 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.335 -4.781 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.435 -5.487 14.323 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.207 -6.871 13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.440 -6.711 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.483 -6.813 12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.743 -5.321 13.394 1.00 0.00 H new ATOM 1102 N THR A 72 6.650 -6.504 11.369 1.00 0.00 N ATOM 1103 CA THR A 72 6.188 -7.754 11.957 1.00 0.00 C ATOM 1104 C THR A 72 4.827 -8.104 11.386 1.00 0.00 C ATOM 1105 O THR A 72 4.470 -9.275 11.260 1.00 0.00 O ATOM 1106 CB THR A 72 6.143 -7.729 13.518 1.00 0.00 C ATOM 1107 OG1 THR A 72 5.941 -9.061 14.020 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.026 -6.839 14.031 1.00 0.00 C ATOM 0 H THR A 72 6.532 -5.679 11.957 1.00 0.00 H new ATOM 0 HA THR A 72 6.915 -8.522 11.695 1.00 0.00 H new ATOM 0 HB THR A 72 7.095 -7.329 13.869 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.915 -9.041 14.999 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.026 -6.847 15.121 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.180 -5.820 13.675 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.068 -7.210 13.666 1.00 0.00 H new ATOM 1116 N LEU A 73 4.065 -7.073 11.047 1.00 0.00 N ATOM 1117 CA LEU A 73 2.789 -7.258 10.406 1.00 0.00 C ATOM 1118 C LEU A 73 3.008 -7.602 8.946 1.00 0.00 C ATOM 1119 O LEU A 73 2.154 -8.191 8.311 1.00 0.00 O ATOM 1120 CB LEU A 73 1.948 -5.996 10.529 1.00 0.00 C ATOM 1121 CG LEU A 73 1.565 -5.594 11.952 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.887 -4.236 11.957 1.00 0.00 C ATOM 1123 CD2 LEU A 73 0.655 -6.643 12.567 1.00 0.00 C ATOM 0 H LEU A 73 4.318 -6.099 11.210 1.00 0.00 H new ATOM 0 HA LEU A 73 2.256 -8.074 10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.494 -5.171 10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.034 -6.132 9.951 1.00 0.00 H new ATOM 0 HG LEU A 73 2.474 -5.526 12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.621 -3.966 12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.567 -3.488 11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.015 -4.277 11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.389 -6.345 13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.250 -6.736 11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.172 -7.602 12.595 1.00 0.00 H new ATOM 1135 N GLU A 74 4.183 -7.206 8.429 1.00 0.00 N ATOM 1136 CA GLU A 74 4.603 -7.492 7.046 1.00 0.00 C ATOM 1137 C GLU A 74 3.477 -7.200 6.022 1.00 0.00 C ATOM 1138 O GLU A 74 3.363 -7.866 4.988 1.00 0.00 O ATOM 1139 CB GLU A 74 5.063 -8.951 6.954 1.00 0.00 C ATOM 1140 CG GLU A 74 5.902 -9.267 5.733 1.00 0.00 C ATOM 1141 CD GLU A 74 6.451 -10.667 5.769 1.00 0.00 C ATOM 1142 OE1 GLU A 74 5.954 -11.526 5.013 1.00 0.00 O ATOM 1143 OE2 GLU A 74 7.389 -10.916 6.557 1.00 0.00 O ATOM 0 H GLU A 74 4.872 -6.675 8.961 1.00 0.00 H new ATOM 0 HA GLU A 74 5.431 -6.830 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.637 -9.195 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.185 -9.597 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.297 -9.138 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.726 -8.557 5.667 1.00 0.00 H new ATOM 1150 N MET A 75 2.681 -6.181 6.305 1.00 0.00 N ATOM 1151 CA MET A 75 1.551 -5.820 5.458 1.00 0.00 C ATOM 1152 C MET A 75 2.005 -5.183 4.152 1.00 0.00 C ATOM 1153 O MET A 75 3.091 -4.603 4.070 1.00 0.00 O ATOM 1154 CB MET A 75 0.621 -4.863 6.192 1.00 0.00 C ATOM 1155 CG MET A 75 -0.014 -5.454 7.432 1.00 0.00 C ATOM 1156 SD MET A 75 -1.040 -4.264 8.317 1.00 0.00 S ATOM 1157 CE MET A 75 -1.737 -5.296 9.603 1.00 0.00 C ATOM 0 H MET A 75 2.797 -5.583 7.123 1.00 0.00 H new ATOM 0 HA MET A 75 1.018 -6.741 5.222 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.181 -3.971 6.473 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.167 -4.543 5.510 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.622 -6.314 7.150 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.768 -5.820 8.097 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.188 -4.667 10.370 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.498 -5.948 9.174 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.949 -5.903 10.049 1.00 0.00 H new ATOM 1167 N GLU A 76 1.168 -5.309 3.139 1.00 0.00 N ATOM 1168 CA GLU A 76 1.415 -4.738 1.839 1.00 0.00 C ATOM 1169 C GLU A 76 0.084 -4.433 1.186 1.00 0.00 C ATOM 1170 O GLU A 76 -0.966 -4.749 1.752 1.00 0.00 O ATOM 1171 CB GLU A 76 2.257 -5.674 0.967 1.00 0.00 C ATOM 1172 CG GLU A 76 1.640 -7.039 0.729 1.00 0.00 C ATOM 1173 CD GLU A 76 2.573 -7.957 -0.019 1.00 0.00 C ATOM 1174 OE1 GLU A 76 3.566 -8.420 0.588 1.00 0.00 O ATOM 1175 OE2 GLU A 76 2.329 -8.221 -1.215 1.00 0.00 O ATOM 0 H GLU A 76 0.287 -5.819 3.203 1.00 0.00 H new ATOM 0 HA GLU A 76 1.987 -3.817 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.429 -5.195 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.232 -5.807 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.377 -7.490 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.714 -6.925 0.165 1.00 0.00 H new ATOM 1182 N ASP A 77 0.115 -3.814 0.025 1.00 0.00 N ATOM 1183 CA ASP A 77 -1.102 -3.424 -0.655 1.00 0.00 C ATOM 1184 C ASP A 77 -2.022 -4.614 -0.954 1.00 0.00 C ATOM 1185 O ASP A 77 -1.636 -5.586 -1.610 1.00 0.00 O ATOM 1186 CB ASP A 77 -0.789 -2.661 -1.934 1.00 0.00 C ATOM 1187 CG ASP A 77 -2.040 -2.141 -2.590 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -2.766 -1.356 -1.947 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -2.316 -2.512 -3.745 1.00 0.00 O ATOM 0 H ASP A 77 0.973 -3.569 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.641 -2.767 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.123 -1.828 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.259 -3.314 -2.627 1.00 0.00 H new ATOM 1194 N ASP A 78 -3.229 -4.500 -0.428 1.00 0.00 N ATOM 1195 CA ASP A 78 -4.325 -5.464 -0.591 1.00 0.00 C ATOM 1196 C ASP A 78 -4.009 -6.801 0.087 1.00 0.00 C ATOM 1197 O ASP A 78 -4.392 -7.871 -0.393 1.00 0.00 O ATOM 1198 CB ASP A 78 -4.706 -5.641 -2.068 1.00 0.00 C ATOM 1199 CG ASP A 78 -6.064 -6.293 -2.263 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -7.089 -5.627 -2.007 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -6.111 -7.463 -2.697 1.00 0.00 O ATOM 0 H ASP A 78 -3.492 -3.702 0.151 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.198 -5.053 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.705 -4.666 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.946 -6.246 -2.562 1.00 0.00 H new ATOM 1206 N ASP A 79 -3.299 -6.735 1.219 1.00 0.00 N ATOM 1207 CA ASP A 79 -3.024 -7.935 2.008 1.00 0.00 C ATOM 1208 C ASP A 79 -4.290 -8.338 2.742 1.00 0.00 C ATOM 1209 O ASP A 79 -5.308 -7.663 2.640 1.00 0.00 O ATOM 1210 CB ASP A 79 -1.886 -7.728 3.002 1.00 0.00 C ATOM 1211 CG ASP A 79 -1.099 -9.009 3.241 1.00 0.00 C ATOM 1212 OD1 ASP A 79 0.081 -9.063 2.848 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -1.666 -9.973 3.793 1.00 0.00 O ATOM 0 H ASP A 79 -2.910 -5.874 1.603 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.708 -8.725 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.215 -6.954 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.291 -7.369 3.948 1.00 0.00 H new ATOM 1218 N VAL A 80 -4.241 -9.412 3.476 1.00 0.00 N ATOM 1219 CA VAL A 80 -5.428 -9.920 4.118 1.00 0.00 C ATOM 1220 C VAL A 80 -5.328 -9.913 5.639 1.00 0.00 C ATOM 1221 O VAL A 80 -4.255 -10.084 6.219 1.00 0.00 O ATOM 1222 CB VAL A 80 -5.753 -11.345 3.634 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -6.043 -11.335 2.146 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -4.601 -12.287 3.943 1.00 0.00 C ATOM 0 H VAL A 80 -3.395 -9.955 3.647 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.234 -9.243 3.835 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.638 -11.700 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.272 -12.347 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.895 -10.686 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.171 -10.965 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.847 -13.290 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.700 -11.938 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.428 -12.309 5.019 1.00 0.00 H new ATOM 1234 N ILE A 81 -6.466 -9.711 6.253 1.00 0.00 N ATOM 1235 CA ILE A 81 -6.624 -9.697 7.692 1.00 0.00 C ATOM 1236 C ILE A 81 -7.757 -10.628 8.105 1.00 0.00 C ATOM 1237 O ILE A 81 -8.795 -10.670 7.454 1.00 0.00 O ATOM 1238 CB ILE A 81 -6.853 -8.251 8.218 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -5.514 -7.527 8.420 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -7.721 -8.201 9.454 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -5.653 -6.096 8.902 1.00 0.00 C ATOM 0 H ILE A 81 -7.339 -9.546 5.752 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.702 -10.061 8.146 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.412 -7.717 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.916 -8.085 9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.965 -7.531 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.843 -7.165 9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.698 -8.629 9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.249 -8.772 10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.664 -5.654 9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.223 -5.520 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.173 -6.084 9.860 1.00 0.00 H new ATOM 1253 N GLU A 82 -7.549 -11.380 9.175 1.00 0.00 N ATOM 1254 CA GLU A 82 -8.520 -12.363 9.612 1.00 0.00 C ATOM 1255 C GLU A 82 -9.277 -11.862 10.836 1.00 0.00 C ATOM 1256 O GLU A 82 -8.698 -11.235 11.722 1.00 0.00 O ATOM 1257 CB GLU A 82 -7.801 -13.667 9.924 1.00 0.00 C ATOM 1258 CG GLU A 82 -6.938 -14.153 8.765 1.00 0.00 C ATOM 1259 CD GLU A 82 -6.197 -15.430 9.068 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -5.006 -15.361 9.441 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -6.790 -16.511 8.908 1.00 0.00 O ATOM 0 H GLU A 82 -6.713 -11.326 9.756 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.246 -12.532 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.175 -13.530 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.536 -14.433 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.570 -14.307 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.218 -13.376 8.506 1.00 0.00 H new ATOM 1268 N VAL A 83 -10.565 -12.130 10.876 1.00 0.00 N ATOM 1269 CA VAL A 83 -11.407 -11.678 11.976 1.00 0.00 C ATOM 1270 C VAL A 83 -12.179 -12.820 12.604 1.00 0.00 C ATOM 1271 O VAL A 83 -12.754 -13.660 11.910 1.00 0.00 O ATOM 1272 CB VAL A 83 -12.393 -10.570 11.535 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.321 -10.168 12.672 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -11.632 -9.371 11.055 1.00 0.00 C ATOM 0 H VAL A 83 -11.059 -12.661 10.158 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.729 -11.263 12.721 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.003 -10.967 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.001 -9.388 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.897 -11.035 12.995 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.731 -9.793 13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.333 -8.595 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.003 -8.992 11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.006 -9.652 10.208 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.172 -12.844 13.915 1.00 0.00 N ATOM 1285 CA TYR A 84 -12.886 -13.830 14.679 1.00 0.00 C ATOM 1286 C TYR A 84 -14.206 -13.243 15.173 1.00 0.00 C ATOM 1287 O TYR A 84 -14.412 -12.031 15.096 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.018 -14.334 15.826 1.00 0.00 C ATOM 1289 CG TYR A 84 -10.867 -15.201 15.358 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -9.671 -14.641 14.923 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -10.985 -16.581 15.340 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -8.631 -15.439 14.487 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -9.948 -17.382 14.908 1.00 0.00 C ATOM 1294 CZ TYR A 84 -8.776 -16.806 14.482 1.00 0.00 C ATOM 1295 OH TYR A 84 -7.739 -17.601 14.051 1.00 0.00 O ATOM 0 H TYR A 84 -11.663 -12.169 14.486 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.120 -14.687 14.048 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.623 -13.481 16.378 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.636 -14.903 16.520 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.553 -13.567 14.926 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.906 -17.038 15.670 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.708 -14.991 14.151 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.057 -18.456 14.905 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.002 -18.543 14.111 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.081 -14.087 15.693 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.433 -13.666 16.055 1.00 0.00 C ATOM 1307 C GLN A 85 -16.418 -12.670 17.214 1.00 0.00 C ATOM 1308 O GLN A 85 -15.734 -12.869 18.225 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.276 -14.890 16.422 1.00 0.00 C ATOM 1310 CG GLN A 85 -18.729 -14.574 16.724 1.00 0.00 C ATOM 1311 CD GLN A 85 -19.543 -15.811 17.053 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -19.026 -16.785 17.604 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -20.819 -15.785 16.712 1.00 0.00 N ATOM 0 H GLN A 85 -14.883 -15.071 15.876 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.874 -13.165 15.193 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.234 -15.606 15.601 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -16.833 -15.376 17.291 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.778 -13.879 17.562 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.173 -14.070 15.865 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.209 -14.959 16.257 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -21.415 -16.591 16.903 1.00 0.00 H new ATOM 1322 N GLU A 86 -17.180 -11.590 17.042 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.255 -10.501 18.014 1.00 0.00 C ATOM 1324 C GLU A 86 -17.783 -10.964 19.336 1.00 0.00 C ATOM 1325 O GLU A 86 -18.558 -11.910 19.412 1.00 0.00 O ATOM 1326 CB GLU A 86 -18.156 -9.384 17.528 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.889 -8.930 16.135 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.674 -9.724 15.108 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.181 -10.765 14.640 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -19.805 -9.317 14.786 1.00 0.00 O ATOM 0 H GLU A 86 -17.766 -11.446 16.219 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.233 -10.139 18.131 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.192 -9.716 17.595 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.050 -8.532 18.200 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.143 -7.874 16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.824 -9.021 15.924 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.369 -10.280 20.376 1.00 0.00 N ATOM 1338 CA GLN A 87 -17.807 -10.604 21.717 1.00 0.00 C ATOM 1339 C GLN A 87 -19.290 -10.269 21.893 1.00 0.00 C ATOM 1340 O GLN A 87 -20.038 -11.022 22.512 1.00 0.00 O ATOM 1341 CB GLN A 87 -16.955 -9.870 22.759 1.00 0.00 C ATOM 1342 CG GLN A 87 -17.240 -10.290 24.180 1.00 0.00 C ATOM 1343 CD GLN A 87 -16.929 -11.756 24.408 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -16.003 -12.310 23.801 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -17.700 -12.398 25.259 1.00 0.00 N ATOM 0 H GLN A 87 -16.726 -9.491 20.321 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.678 -11.675 21.870 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.901 -10.045 22.542 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.126 -8.798 22.665 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.648 -9.682 24.864 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -18.288 -10.101 24.411 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.452 -11.904 25.739 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.545 -13.390 25.439 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.709 -9.135 21.326 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.097 -8.694 21.438 1.00 0.00 C ATOM 1356 C LEU A 88 -21.807 -8.765 20.095 1.00 0.00 C ATOM 1357 O LEU A 88 -22.991 -8.466 19.992 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.186 -7.264 22.003 1.00 0.00 C ATOM 1359 CG LEU A 88 -21.080 -7.110 23.534 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -22.105 -7.982 24.245 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -19.674 -7.414 24.026 1.00 0.00 C ATOM 0 H LEU A 88 -19.109 -8.510 20.788 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.595 -9.372 22.131 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.395 -6.669 21.547 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -22.134 -6.832 21.684 1.00 0.00 H new ATOM 0 HG LEU A 88 -21.298 -6.069 23.775 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -22.007 -7.853 25.323 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -23.108 -7.691 23.934 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -21.935 -9.027 23.988 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -19.634 -7.296 25.109 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -19.410 -8.438 23.763 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -18.969 -6.726 23.560 1.00 0.00 H new