USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 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 22 GLN : amide:sc= 0.506 K(o=0.54,f=-5.7!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.0369 K(o=0.54,f=-2.9!) USER MOD Set 2.1: A 54 SER OG : rot 10:sc= -3.05! USER MOD Set 2.2: A 87 GLN : amide:sc= 0 K(o=-3.1,f=-4.2) USER MOD Set 3.1: A 25 ASN : amide:sc= 0.0437 X(o=0.088,f=-0.092) USER MOD Set 3.2: A 44 TYR OH : rot 180:sc= 0.0445 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.5!) 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 -120:sc= 0.766 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 135:sc= -0.0339 (180deg=-0.565) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -114:sc= 1.27 (180deg=-0.0806) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -113:sc= 0.282 USER MOD Single : A 48 THR OG1 : rot -27:sc= 0.173 USER MOD Single : A 53 ASN : amide:sc= -0.03 K(o=-0.03,f=-0.94) USER MOD Single : A 65 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -169:sc=-4.59e-05 (180deg=-0.16) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 2.584 1.278 0.540 1.00 0.00 N ATOM 158 CA TYR A 14 1.531 0.572 1.247 1.00 0.00 C ATOM 159 C TYR A 14 1.445 -0.871 0.797 1.00 0.00 C ATOM 160 O TYR A 14 2.001 -1.255 -0.236 1.00 0.00 O ATOM 161 CB TYR A 14 0.172 1.261 1.077 1.00 0.00 C ATOM 162 CG TYR A 14 -0.108 2.364 2.085 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.844 3.325 2.396 1.00 0.00 C ATOM 164 CD2 TYR A 14 -1.336 2.434 2.730 1.00 0.00 C ATOM 165 CE1 TYR A 14 0.578 4.321 3.322 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.608 3.421 3.652 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.650 4.361 3.945 1.00 0.00 C ATOM 168 OH TYR A 14 -0.918 5.339 4.876 1.00 0.00 O ATOM 0 HA TYR A 14 1.789 0.593 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.115 1.681 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.614 0.509 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.807 3.296 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.094 1.699 2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.329 5.062 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.570 3.456 4.142 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.829 5.224 5.218 1.00 0.00 H new ATOM 178 N ILE A 15 0.757 -1.655 1.576 1.00 0.00 N ATOM 179 CA ILE A 15 0.615 -3.068 1.332 1.00 0.00 C ATOM 180 C ILE A 15 -0.853 -3.435 1.382 1.00 0.00 C ATOM 181 O ILE A 15 -1.675 -2.676 1.896 1.00 0.00 O ATOM 182 CB ILE A 15 1.339 -3.889 2.418 1.00 0.00 C ATOM 183 CG1 ILE A 15 0.578 -3.786 3.733 1.00 0.00 C ATOM 184 CG2 ILE A 15 2.761 -3.419 2.582 1.00 0.00 C ATOM 185 CD1 ILE A 15 1.194 -4.551 4.871 1.00 0.00 C ATOM 0 H ILE A 15 0.271 -1.329 2.411 1.00 0.00 H new ATOM 0 HA ILE A 15 1.047 -3.289 0.356 1.00 0.00 H new ATOM 0 HB ILE A 15 1.368 -4.934 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.506 -2.736 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.439 -4.146 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.253 -4.012 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.294 -3.536 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.766 -2.369 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.587 -4.422 5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.241 -5.609 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.201 -4.178 5.058 1.00 0.00 H new ATOM 197 N LYS A 16 -1.183 -4.561 0.846 1.00 0.00 N ATOM 198 CA LYS A 16 -2.536 -5.038 0.907 1.00 0.00 C ATOM 199 C LYS A 16 -2.687 -6.042 2.021 1.00 0.00 C ATOM 200 O LYS A 16 -1.751 -6.757 2.357 1.00 0.00 O ATOM 201 CB LYS A 16 -2.943 -5.690 -0.390 1.00 0.00 C ATOM 202 CG LYS A 16 -2.945 -4.768 -1.585 1.00 0.00 C ATOM 203 CD LYS A 16 -3.545 -5.456 -2.804 1.00 0.00 C ATOM 204 CE LYS A 16 -2.709 -6.650 -3.223 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.255 -7.333 -4.420 1.00 0.00 N ATOM 0 H LYS A 16 -0.534 -5.177 0.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.179 -4.177 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.267 -6.522 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.941 -6.112 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.515 -3.868 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.926 -4.452 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.561 -5.780 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.612 -4.747 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.690 -6.322 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.655 -7.359 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.648 -8.141 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.217 -7.671 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.283 -6.666 -5.218 1.00 0.00 H new ATOM 219 N ILE A 17 -3.833 -6.060 2.608 1.00 0.00 N ATOM 220 CA ILE A 17 -4.166 -7.043 3.604 1.00 0.00 C ATOM 221 C ILE A 17 -5.499 -7.668 3.305 1.00 0.00 C ATOM 222 O ILE A 17 -6.491 -6.962 3.076 1.00 0.00 O ATOM 223 CB ILE A 17 -4.168 -6.480 5.047 1.00 0.00 C ATOM 224 CG1 ILE A 17 -2.745 -6.182 5.520 1.00 0.00 C ATOM 225 CG2 ILE A 17 -4.879 -7.422 6.004 1.00 0.00 C ATOM 226 CD1 ILE A 17 -2.685 -5.553 6.893 1.00 0.00 C ATOM 0 H ILE A 17 -4.578 -5.391 2.415 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.380 -7.797 3.556 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.721 -5.541 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.172 -7.109 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.264 -5.517 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.864 -7.000 7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.912 -7.556 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.372 -8.387 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.645 -5.369 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.230 -4.609 6.885 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.136 -6.226 7.622 1.00 0.00 H new ATOM 238 N LYS A 18 -5.538 -8.980 3.290 1.00 0.00 N ATOM 239 CA LYS A 18 -6.779 -9.655 3.094 1.00 0.00 C ATOM 240 C LYS A 18 -7.329 -10.005 4.458 1.00 0.00 C ATOM 241 O LYS A 18 -6.834 -10.919 5.125 1.00 0.00 O ATOM 242 CB LYS A 18 -6.610 -10.936 2.268 1.00 0.00 C ATOM 243 CG LYS A 18 -5.508 -10.884 1.200 1.00 0.00 C ATOM 244 CD LYS A 18 -5.571 -12.103 0.290 1.00 0.00 C ATOM 245 CE LYS A 18 -5.305 -13.389 1.056 1.00 0.00 C ATOM 246 NZ LYS A 18 -5.321 -14.576 0.168 1.00 0.00 N ATOM 0 H LYS A 18 -4.728 -9.588 3.411 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.457 -9.003 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.397 -11.762 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.558 -11.162 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.615 -9.976 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.532 -10.836 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.553 -12.156 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.839 -11.998 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.338 -13.321 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.057 -13.509 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.136 -15.432 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.252 -14.656 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.586 -14.474 -0.561 1.00 0.00 H new ATOM 260 N VAL A 19 -8.317 -9.265 4.881 1.00 0.00 N ATOM 261 CA VAL A 19 -8.941 -9.494 6.153 1.00 0.00 C ATOM 262 C VAL A 19 -9.953 -10.592 6.011 1.00 0.00 C ATOM 263 O VAL A 19 -10.967 -10.408 5.364 1.00 0.00 O ATOM 264 CB VAL A 19 -9.668 -8.219 6.648 1.00 0.00 C ATOM 265 CG1 VAL A 19 -10.427 -8.496 7.927 1.00 0.00 C ATOM 266 CG2 VAL A 19 -8.688 -7.070 6.844 1.00 0.00 C ATOM 0 H VAL A 19 -8.711 -8.487 4.353 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.169 -9.767 6.873 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.384 -7.924 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.930 -7.587 8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.168 -9.276 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.731 -8.826 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.226 -6.188 7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.939 -7.353 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.197 -6.845 5.897 1.00 0.00 H new ATOM 276 N VAL A 20 -9.687 -11.727 6.600 1.00 0.00 N ATOM 277 CA VAL A 20 -10.610 -12.818 6.517 1.00 0.00 C ATOM 278 C VAL A 20 -11.059 -13.265 7.888 1.00 0.00 C ATOM 279 O VAL A 20 -10.250 -13.638 8.751 1.00 0.00 O ATOM 280 CB VAL A 20 -10.051 -14.005 5.693 1.00 0.00 C ATOM 281 CG1 VAL A 20 -8.710 -14.468 6.220 1.00 0.00 C ATOM 282 CG2 VAL A 20 -11.050 -15.154 5.656 1.00 0.00 C ATOM 0 H VAL A 20 -8.842 -11.916 7.139 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.484 -12.448 5.981 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.895 -13.654 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.350 -15.301 5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.995 -13.647 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.818 -14.790 7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.637 -15.977 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.250 -15.495 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.979 -14.814 5.197 1.00 0.00 H new ATOM 292 N GLY A 21 -12.350 -13.211 8.085 1.00 0.00 N ATOM 293 CA GLY A 21 -12.916 -13.589 9.345 1.00 0.00 C ATOM 294 C GLY A 21 -13.291 -15.043 9.384 1.00 0.00 C ATOM 295 O GLY A 21 -13.308 -15.714 8.350 1.00 0.00 O ATOM 0 H GLY A 21 -13.027 -12.908 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.201 -13.378 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.800 -12.982 9.541 1.00 0.00 H new ATOM 299 N GLN A 22 -13.609 -15.532 10.568 1.00 0.00 N ATOM 300 CA GLN A 22 -13.993 -16.925 10.752 1.00 0.00 C ATOM 301 C GLN A 22 -15.312 -17.203 10.107 1.00 0.00 C ATOM 302 O GLN A 22 -15.640 -18.336 9.764 1.00 0.00 O ATOM 303 CB GLN A 22 -14.043 -17.268 12.211 1.00 0.00 C ATOM 304 CG GLN A 22 -15.031 -16.454 13.013 1.00 0.00 C ATOM 305 CD GLN A 22 -15.048 -16.849 14.476 1.00 0.00 C ATOM 306 OE1 GLN A 22 -14.280 -16.331 15.284 1.00 0.00 O ATOM 307 NE2 GLN A 22 -15.915 -17.770 14.824 1.00 0.00 N ATOM 0 H GLN A 22 -13.610 -14.981 11.427 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.240 -17.550 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.293 -18.324 12.315 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.049 -17.132 12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.781 -15.396 12.927 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.029 -16.581 12.593 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.536 -18.176 14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.968 -18.080 15.794 1.00 0.00 H new ATOM 316 N ASP A 23 -16.054 -16.157 9.948 1.00 0.00 N ATOM 317 CA ASP A 23 -17.331 -16.182 9.247 1.00 0.00 C ATOM 318 C ASP A 23 -17.097 -16.397 7.735 1.00 0.00 C ATOM 319 O ASP A 23 -18.026 -16.322 6.929 1.00 0.00 O ATOM 320 CB ASP A 23 -18.073 -14.860 9.494 1.00 0.00 C ATOM 321 CG ASP A 23 -19.483 -14.850 8.948 1.00 0.00 C ATOM 322 OD1 ASP A 23 -20.334 -15.590 9.477 1.00 0.00 O ATOM 323 OD2 ASP A 23 -19.755 -14.087 8.002 1.00 0.00 O ATOM 0 H ASP A 23 -15.800 -15.235 10.302 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.938 -17.006 9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.105 -14.665 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.510 -14.045 9.039 1.00 0.00 H new ATOM 328 N SER A 24 -15.829 -16.674 7.376 1.00 0.00 N ATOM 329 CA SER A 24 -15.407 -16.884 5.987 1.00 0.00 C ATOM 330 C SER A 24 -15.547 -15.596 5.191 1.00 0.00 C ATOM 331 O SER A 24 -15.759 -15.609 3.977 1.00 0.00 O ATOM 332 CB SER A 24 -16.219 -18.014 5.339 1.00 0.00 C ATOM 333 OG SER A 24 -16.056 -19.234 6.050 1.00 0.00 O ATOM 0 H SER A 24 -15.067 -16.758 8.049 1.00 0.00 H new ATOM 0 HA SER A 24 -14.357 -17.177 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.274 -17.741 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.902 -18.147 4.305 1.00 0.00 H new ATOM 0 HG SER A 24 -16.585 -19.937 5.618 1.00 0.00 H new ATOM 339 N ASN A 25 -15.395 -14.485 5.883 1.00 0.00 N ATOM 340 CA ASN A 25 -15.530 -13.177 5.259 1.00 0.00 C ATOM 341 C ASN A 25 -14.181 -12.522 5.041 1.00 0.00 C ATOM 342 O ASN A 25 -13.551 -12.056 5.981 1.00 0.00 O ATOM 343 CB ASN A 25 -16.429 -12.269 6.092 1.00 0.00 C ATOM 344 CG ASN A 25 -16.684 -10.926 5.430 1.00 0.00 C ATOM 345 OD1 ASN A 25 -16.692 -10.813 4.200 1.00 0.00 O ATOM 346 ND2 ASN A 25 -16.893 -9.904 6.235 1.00 0.00 N ATOM 0 H ASN A 25 -15.178 -14.458 6.879 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.992 -13.328 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.381 -12.770 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.970 -12.107 7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.070 -8.977 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.878 -10.040 7.246 1.00 0.00 H new ATOM 353 N GLU A 26 -13.747 -12.506 3.803 1.00 0.00 N ATOM 354 CA GLU A 26 -12.487 -11.891 3.432 1.00 0.00 C ATOM 355 C GLU A 26 -12.715 -10.589 2.662 1.00 0.00 C ATOM 356 O GLU A 26 -13.535 -10.521 1.737 1.00 0.00 O ATOM 357 CB GLU A 26 -11.613 -12.857 2.613 1.00 0.00 C ATOM 358 CG GLU A 26 -10.287 -12.258 2.159 1.00 0.00 C ATOM 359 CD GLU A 26 -9.485 -13.185 1.263 1.00 0.00 C ATOM 360 OE1 GLU A 26 -9.264 -14.354 1.642 1.00 0.00 O ATOM 361 OE2 GLU A 26 -9.062 -12.736 0.171 1.00 0.00 O ATOM 0 H GLU A 26 -14.255 -12.919 3.021 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.955 -11.654 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.413 -13.746 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.172 -13.182 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.480 -11.327 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.691 -12.006 3.036 1.00 0.00 H new ATOM 368 N VAL A 27 -11.999 -9.562 3.063 1.00 0.00 N ATOM 369 CA VAL A 27 -12.074 -8.262 2.436 1.00 0.00 C ATOM 370 C VAL A 27 -10.676 -7.703 2.252 1.00 0.00 C ATOM 371 O VAL A 27 -9.800 -7.905 3.088 1.00 0.00 O ATOM 372 CB VAL A 27 -12.959 -7.280 3.248 1.00 0.00 C ATOM 373 CG1 VAL A 27 -12.424 -7.103 4.652 1.00 0.00 C ATOM 374 CG2 VAL A 27 -13.071 -5.937 2.541 1.00 0.00 C ATOM 0 H VAL A 27 -11.342 -9.607 3.842 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.545 -8.381 1.460 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.958 -7.710 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.062 -6.410 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.413 -8.067 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.410 -6.705 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.696 -5.267 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.078 -5.501 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.519 -6.080 1.557 1.00 0.00 H new ATOM 384 N HIS A 28 -10.464 -7.027 1.153 1.00 0.00 N ATOM 385 CA HIS A 28 -9.151 -6.536 0.818 1.00 0.00 C ATOM 386 C HIS A 28 -8.998 -5.063 1.152 1.00 0.00 C ATOM 387 O HIS A 28 -9.684 -4.206 0.594 1.00 0.00 O ATOM 388 CB HIS A 28 -8.871 -6.784 -0.662 1.00 0.00 C ATOM 389 CG HIS A 28 -8.855 -8.237 -1.028 1.00 0.00 C ATOM 390 ND1 HIS A 28 -9.066 -8.697 -2.308 1.00 0.00 N ATOM 391 CD2 HIS A 28 -8.661 -9.339 -0.267 1.00 0.00 C ATOM 392 CE1 HIS A 28 -9.005 -10.019 -2.313 1.00 0.00 C ATOM 393 NE2 HIS A 28 -8.759 -10.429 -1.086 1.00 0.00 N ATOM 0 H HIS A 28 -11.188 -6.802 0.470 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.422 -7.079 1.419 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.628 -6.275 -1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.910 -6.341 -0.922 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.464 -9.354 0.795 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.135 -10.654 -3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.658 -11.401 -0.794 1.00 0.00 H new ATOM 401 N PHE A 29 -8.110 -4.792 2.083 1.00 0.00 N ATOM 402 CA PHE A 29 -7.769 -3.435 2.487 1.00 0.00 C ATOM 403 C PHE A 29 -6.328 -3.124 2.154 1.00 0.00 C ATOM 404 O PHE A 29 -5.491 -4.021 2.096 1.00 0.00 O ATOM 405 CB PHE A 29 -7.960 -3.231 3.990 1.00 0.00 C ATOM 406 CG PHE A 29 -9.376 -3.076 4.444 1.00 0.00 C ATOM 407 CD1 PHE A 29 -10.073 -4.134 4.999 1.00 0.00 C ATOM 408 CD2 PHE A 29 -10.006 -1.849 4.334 1.00 0.00 C ATOM 409 CE1 PHE A 29 -11.364 -3.967 5.435 1.00 0.00 C ATOM 410 CE2 PHE A 29 -11.300 -1.681 4.764 1.00 0.00 C ATOM 411 CZ PHE A 29 -11.977 -2.741 5.318 1.00 0.00 C ATOM 0 H PHE A 29 -7.595 -5.512 2.590 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.437 -2.769 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.520 -4.080 4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.401 -2.346 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.598 -5.099 5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.474 -1.013 3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.899 -4.798 5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.783 -0.720 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.992 -2.611 5.662 1.00 0.00 H new ATOM 421 N ARG A 30 -6.041 -1.866 1.909 1.00 0.00 N ATOM 422 CA ARG A 30 -4.677 -1.444 1.715 1.00 0.00 C ATOM 423 C ARG A 30 -4.239 -0.581 2.880 1.00 0.00 C ATOM 424 O ARG A 30 -4.859 0.436 3.184 1.00 0.00 O ATOM 425 CB ARG A 30 -4.471 -0.717 0.387 1.00 0.00 C ATOM 426 CG ARG A 30 -3.036 -0.258 0.195 1.00 0.00 C ATOM 427 CD ARG A 30 -2.770 0.246 -1.206 1.00 0.00 C ATOM 428 NE ARG A 30 -3.564 1.429 -1.545 1.00 0.00 N ATOM 429 CZ ARG A 30 -3.494 2.065 -2.721 1.00 0.00 C ATOM 430 NH1 ARG A 30 -2.609 1.679 -3.641 1.00 0.00 N ATOM 431 NH2 ARG A 30 -4.291 3.099 -2.966 1.00 0.00 N ATOM 0 H ARG A 30 -6.733 -1.120 1.840 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.056 -2.339 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.751 -1.378 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.135 0.146 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.813 0.533 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.361 -1.086 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.711 0.484 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.987 -0.548 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.209 1.790 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.983 0.897 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.558 2.166 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.957 3.409 -2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.237 3.583 -3.862 1.00 0.00 H new ATOM 445 N VAL A 31 -3.172 -0.996 3.515 1.00 0.00 N ATOM 446 CA VAL A 31 -2.648 -0.336 4.696 1.00 0.00 C ATOM 447 C VAL A 31 -1.148 -0.219 4.572 1.00 0.00 C ATOM 448 O VAL A 31 -0.563 -0.730 3.636 1.00 0.00 O ATOM 449 CB VAL A 31 -2.977 -1.104 5.994 1.00 0.00 C ATOM 450 CG1 VAL A 31 -4.480 -1.257 6.183 1.00 0.00 C ATOM 451 CG2 VAL A 31 -2.288 -2.448 6.005 1.00 0.00 C ATOM 0 H VAL A 31 -2.632 -1.812 3.227 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.118 0.645 4.758 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.601 -0.520 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.677 -1.802 7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.942 -0.271 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.899 -1.807 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.532 -2.974 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.625 -3.037 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.209 -2.304 5.944 1.00 0.00 H new ATOM 461 N LYS A 32 -0.537 0.453 5.489 1.00 0.00 N ATOM 462 CA LYS A 32 0.886 0.630 5.462 1.00 0.00 C ATOM 463 C LYS A 32 1.551 -0.525 6.189 1.00 0.00 C ATOM 464 O LYS A 32 0.922 -1.172 7.024 1.00 0.00 O ATOM 465 CB LYS A 32 1.259 1.952 6.124 1.00 0.00 C ATOM 466 CG LYS A 32 2.654 2.442 5.774 1.00 0.00 C ATOM 467 CD LYS A 32 2.889 3.869 6.249 1.00 0.00 C ATOM 468 CE LYS A 32 2.952 3.989 7.774 1.00 0.00 C ATOM 469 NZ LYS A 32 4.217 3.445 8.332 1.00 0.00 N ATOM 0 H LYS A 32 -1.004 0.897 6.280 1.00 0.00 H new ATOM 0 HA LYS A 32 1.230 0.649 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.534 2.711 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.184 1.840 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.395 1.782 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.797 2.390 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.821 4.239 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.090 4.508 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.854 5.037 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.107 3.459 8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.213 3.549 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.301 2.438 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.024 3.967 7.935 1.00 0.00 H new ATOM 483 N TYR A 33 2.812 -0.787 5.868 1.00 0.00 N ATOM 484 CA TYR A 33 3.581 -1.825 6.557 1.00 0.00 C ATOM 485 C TYR A 33 3.491 -1.623 8.071 1.00 0.00 C ATOM 486 O TYR A 33 3.317 -2.575 8.823 1.00 0.00 O ATOM 487 CB TYR A 33 5.061 -1.729 6.165 1.00 0.00 C ATOM 488 CG TYR A 33 5.391 -2.104 4.740 1.00 0.00 C ATOM 489 CD1 TYR A 33 5.337 -1.161 3.721 1.00 0.00 C ATOM 490 CD2 TYR A 33 5.785 -3.395 4.419 1.00 0.00 C ATOM 491 CE1 TYR A 33 5.661 -1.497 2.420 1.00 0.00 C ATOM 492 CE2 TYR A 33 6.108 -3.738 3.123 1.00 0.00 C ATOM 493 CZ TYR A 33 6.045 -2.787 2.127 1.00 0.00 C ATOM 494 OH TYR A 33 6.369 -3.127 0.830 1.00 0.00 O ATOM 0 H TYR A 33 3.327 -0.297 5.136 1.00 0.00 H new ATOM 0 HA TYR A 33 3.172 -2.795 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.397 -0.707 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.636 -2.371 6.832 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.037 -0.149 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.840 -4.143 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.613 -0.753 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.409 -4.748 2.889 1.00 0.00 H new ATOM 0 HH TYR A 33 6.620 -4.074 0.793 1.00 0.00 H new ATOM 504 N GLY A 34 3.578 -0.369 8.493 1.00 0.00 N ATOM 505 CA GLY A 34 3.555 -0.046 9.903 1.00 0.00 C ATOM 506 C GLY A 34 2.206 0.438 10.382 1.00 0.00 C ATOM 507 O GLY A 34 2.123 1.194 11.342 1.00 0.00 O ATOM 0 H GLY A 34 3.665 0.438 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.841 -0.928 10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.302 0.722 10.105 1.00 0.00 H new ATOM 511 N THR A 35 1.155 0.040 9.696 1.00 0.00 N ATOM 512 CA THR A 35 -0.171 0.412 10.079 1.00 0.00 C ATOM 513 C THR A 35 -0.566 -0.193 11.440 1.00 0.00 C ATOM 514 O THR A 35 -0.303 -1.361 11.720 1.00 0.00 O ATOM 515 CB THR A 35 -1.178 0.027 8.980 1.00 0.00 C ATOM 516 OG1 THR A 35 -1.308 1.099 8.032 1.00 0.00 O ATOM 517 CG2 THR A 35 -2.524 -0.349 9.554 1.00 0.00 C ATOM 0 H THR A 35 1.206 -0.547 8.863 1.00 0.00 H new ATOM 0 HA THR A 35 -0.192 1.495 10.197 1.00 0.00 H new ATOM 0 HB THR A 35 -0.792 -0.854 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.239 1.405 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.204 -0.614 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.409 -1.201 10.224 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.932 0.496 10.109 1.00 0.00 H new ATOM 525 N SER A 36 -1.193 0.630 12.270 1.00 0.00 N ATOM 526 CA SER A 36 -1.605 0.229 13.602 1.00 0.00 C ATOM 527 C SER A 36 -2.960 -0.466 13.543 1.00 0.00 C ATOM 528 O SER A 36 -3.747 -0.194 12.630 1.00 0.00 O ATOM 529 CB SER A 36 -1.692 1.467 14.486 1.00 0.00 C ATOM 530 OG SER A 36 -0.441 2.132 14.555 1.00 0.00 O ATOM 0 H SER A 36 -1.429 1.594 12.035 1.00 0.00 H new ATOM 0 HA SER A 36 -0.876 -0.467 14.017 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.448 2.147 14.092 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.011 1.181 15.488 1.00 0.00 H new ATOM 0 HG SER A 36 -0.523 2.924 15.126 1.00 0.00 H new ATOM 536 N MET A 37 -3.246 -1.350 14.522 1.00 0.00 N ATOM 537 CA MET A 37 -4.538 -2.088 14.556 1.00 0.00 C ATOM 538 C MET A 37 -5.747 -1.165 14.353 1.00 0.00 C ATOM 539 O MET A 37 -6.742 -1.562 13.756 1.00 0.00 O ATOM 540 CB MET A 37 -4.721 -2.838 15.885 1.00 0.00 C ATOM 541 CG MET A 37 -4.966 -1.935 17.097 1.00 0.00 C ATOM 542 SD MET A 37 -5.301 -2.866 18.611 1.00 0.00 S ATOM 543 CE MET A 37 -5.467 -1.547 19.812 1.00 0.00 C ATOM 0 H MET A 37 -2.614 -1.572 15.291 1.00 0.00 H new ATOM 0 HA MET A 37 -4.493 -2.798 13.730 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.560 -3.527 15.786 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.833 -3.442 16.072 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.094 -1.299 17.253 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.808 -1.275 16.888 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.337 -1.735 20.441 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.572 -1.506 20.433 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.593 -0.597 19.293 1.00 0.00 H new ATOM 553 N ALA A 38 -5.634 0.065 14.820 1.00 0.00 N ATOM 554 CA ALA A 38 -6.727 1.022 14.756 1.00 0.00 C ATOM 555 C ALA A 38 -7.153 1.319 13.329 1.00 0.00 C ATOM 556 O ALA A 38 -8.334 1.459 13.055 1.00 0.00 O ATOM 557 CB ALA A 38 -6.350 2.306 15.468 1.00 0.00 C ATOM 0 H ALA A 38 -4.786 0.429 15.253 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.579 0.567 15.260 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.179 3.011 15.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.129 2.091 16.513 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.471 2.741 14.993 1.00 0.00 H new ATOM 563 N LYS A 39 -6.194 1.390 12.422 1.00 0.00 N ATOM 564 CA LYS A 39 -6.485 1.758 11.040 1.00 0.00 C ATOM 565 C LYS A 39 -7.415 0.746 10.392 1.00 0.00 C ATOM 566 O LYS A 39 -8.313 1.109 9.651 1.00 0.00 O ATOM 567 CB LYS A 39 -5.193 1.864 10.228 1.00 0.00 C ATOM 568 CG LYS A 39 -4.214 2.902 10.769 1.00 0.00 C ATOM 569 CD LYS A 39 -4.826 4.288 10.750 1.00 0.00 C ATOM 570 CE LYS A 39 -3.863 5.343 11.257 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.483 6.694 11.259 1.00 0.00 N ATOM 0 H LYS A 39 -5.210 1.199 12.613 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.979 2.729 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.704 0.890 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.442 2.114 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.928 2.641 11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.303 2.895 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.131 4.535 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.727 4.295 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.542 5.088 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.970 5.353 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.796 7.391 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.767 6.947 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.320 6.691 11.876 1.00 0.00 H new ATOM 585 N LEU A 40 -7.199 -0.516 10.693 1.00 0.00 N ATOM 586 CA LEU A 40 -8.001 -1.576 10.113 1.00 0.00 C ATOM 587 C LEU A 40 -9.266 -1.842 10.917 1.00 0.00 C ATOM 588 O LEU A 40 -10.345 -1.963 10.353 1.00 0.00 O ATOM 589 CB LEU A 40 -7.190 -2.873 9.937 1.00 0.00 C ATOM 590 CG LEU A 40 -6.278 -3.288 11.103 1.00 0.00 C ATOM 591 CD1 LEU A 40 -6.115 -4.795 11.128 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.913 -2.638 10.952 1.00 0.00 C ATOM 0 H LEU A 40 -6.475 -0.835 11.336 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.303 -1.229 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.890 -3.687 9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.573 -2.769 9.045 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.736 -2.959 12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.467 -5.077 11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.091 -5.264 11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.670 -5.128 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.274 -2.938 11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.461 -2.956 10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.024 -1.554 10.953 1.00 0.00 H new ATOM 604 N LYS A 41 -9.126 -1.930 12.231 1.00 0.00 N ATOM 605 CA LYS A 41 -10.252 -2.238 13.106 1.00 0.00 C ATOM 606 C LYS A 41 -11.314 -1.186 13.040 1.00 0.00 C ATOM 607 O LYS A 41 -12.478 -1.491 12.861 1.00 0.00 O ATOM 608 CB LYS A 41 -9.766 -2.360 14.527 1.00 0.00 C ATOM 609 CG LYS A 41 -8.922 -3.578 14.786 1.00 0.00 C ATOM 610 CD LYS A 41 -8.217 -3.458 16.107 1.00 0.00 C ATOM 611 CE LYS A 41 -9.204 -3.376 17.269 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.516 -3.243 18.573 1.00 0.00 N ATOM 0 H LYS A 41 -8.241 -1.792 12.718 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.686 -3.179 12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.188 -1.471 14.780 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.628 -2.380 15.194 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.549 -4.470 14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.191 -3.698 13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.560 -4.316 16.248 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.585 -2.570 16.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.868 -2.524 17.121 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.828 -4.269 17.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.687 -4.095 19.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.494 -3.131 18.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.883 -2.410 19.076 1.00 0.00 H new ATOM 626 N LYS A 42 -10.903 0.048 13.155 1.00 0.00 N ATOM 627 CA LYS A 42 -11.817 1.162 13.088 1.00 0.00 C ATOM 628 C LYS A 42 -12.472 1.215 11.719 1.00 0.00 C ATOM 629 O LYS A 42 -13.664 1.482 11.598 1.00 0.00 O ATOM 630 CB LYS A 42 -11.077 2.460 13.404 1.00 0.00 C ATOM 631 CG LYS A 42 -11.925 3.718 13.370 1.00 0.00 C ATOM 632 CD LYS A 42 -11.148 4.904 13.924 1.00 0.00 C ATOM 633 CE LYS A 42 -9.896 5.187 13.102 1.00 0.00 C ATOM 634 NZ LYS A 42 -9.132 6.345 13.628 1.00 0.00 N ATOM 0 H LYS A 42 -9.928 0.312 13.298 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.604 1.033 13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.629 2.371 14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.259 2.574 12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.235 3.926 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.833 3.567 13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.787 5.787 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.868 4.705 14.958 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.258 4.303 13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.178 5.380 12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.289 6.501 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.731 7.195 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.839 6.152 14.607 1.00 0.00 H new ATOM 648 N SER A 43 -11.679 0.954 10.692 1.00 0.00 N ATOM 649 CA SER A 43 -12.172 0.981 9.324 1.00 0.00 C ATOM 650 C SER A 43 -13.198 -0.138 9.084 1.00 0.00 C ATOM 651 O SER A 43 -14.315 0.107 8.611 1.00 0.00 O ATOM 652 CB SER A 43 -10.991 0.837 8.349 1.00 0.00 C ATOM 653 OG SER A 43 -11.426 0.861 6.999 1.00 0.00 O ATOM 0 H SER A 43 -10.690 0.721 10.780 1.00 0.00 H new ATOM 0 HA SER A 43 -12.671 1.935 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.278 1.644 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.466 -0.098 8.547 1.00 0.00 H new ATOM 0 HG SER A 43 -11.282 -0.019 6.593 1.00 0.00 H new ATOM 659 N TYR A 44 -12.816 -1.357 9.441 1.00 0.00 N ATOM 660 CA TYR A 44 -13.668 -2.522 9.268 1.00 0.00 C ATOM 661 C TYR A 44 -14.901 -2.447 10.129 1.00 0.00 C ATOM 662 O TYR A 44 -16.007 -2.684 9.654 1.00 0.00 O ATOM 663 CB TYR A 44 -12.898 -3.782 9.598 1.00 0.00 C ATOM 664 CG TYR A 44 -13.657 -5.068 9.328 1.00 0.00 C ATOM 665 CD1 TYR A 44 -13.489 -5.764 8.138 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.547 -5.577 10.264 1.00 0.00 C ATOM 667 CE1 TYR A 44 -14.190 -6.931 7.891 1.00 0.00 C ATOM 668 CE2 TYR A 44 -15.248 -6.741 10.026 1.00 0.00 C ATOM 669 CZ TYR A 44 -15.068 -7.414 8.841 1.00 0.00 C ATOM 670 OH TYR A 44 -15.773 -8.569 8.600 1.00 0.00 O ATOM 0 H TYR A 44 -11.908 -1.564 9.858 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.985 -2.543 8.225 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.974 -3.791 9.019 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.615 -3.755 10.650 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.801 -5.389 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.693 -5.052 11.196 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.051 -7.461 6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.935 -7.122 10.767 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.345 -8.770 9.370 1.00 0.00 H new ATOM 680 N ALA A 45 -14.712 -2.107 11.389 1.00 0.00 N ATOM 681 CA ALA A 45 -15.812 -2.047 12.333 1.00 0.00 C ATOM 682 C ALA A 45 -16.849 -1.072 11.846 1.00 0.00 C ATOM 683 O ALA A 45 -18.052 -1.288 11.995 1.00 0.00 O ATOM 684 CB ALA A 45 -15.319 -1.645 13.709 1.00 0.00 C ATOM 0 H ALA A 45 -13.803 -1.867 11.784 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.260 -3.038 12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.161 -1.607 14.400 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.592 -2.376 14.063 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.849 -0.663 13.655 1.00 0.00 H new ATOM 690 N ASP A 46 -16.374 -0.011 11.247 1.00 0.00 N ATOM 691 CA ASP A 46 -17.244 1.039 10.740 1.00 0.00 C ATOM 692 C ASP A 46 -18.100 0.536 9.584 1.00 0.00 C ATOM 693 O ASP A 46 -19.314 0.725 9.565 1.00 0.00 O ATOM 694 CB ASP A 46 -16.411 2.231 10.287 1.00 0.00 C ATOM 695 CG ASP A 46 -17.253 3.376 9.779 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.845 4.098 10.608 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.324 3.569 8.550 1.00 0.00 O ATOM 0 H ASP A 46 -15.380 0.157 11.093 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.909 1.346 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.799 2.578 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.727 1.912 9.500 1.00 0.00 H new ATOM 702 N ARG A 47 -17.460 -0.131 8.635 1.00 0.00 N ATOM 703 CA ARG A 47 -18.148 -0.624 7.445 1.00 0.00 C ATOM 704 C ARG A 47 -19.073 -1.796 7.771 1.00 0.00 C ATOM 705 O ARG A 47 -20.032 -2.059 7.049 1.00 0.00 O ATOM 706 CB ARG A 47 -17.134 -1.033 6.368 1.00 0.00 C ATOM 707 CG ARG A 47 -16.352 -2.285 6.692 1.00 0.00 C ATOM 708 CD ARG A 47 -15.366 -2.613 5.593 1.00 0.00 C ATOM 709 NE ARG A 47 -16.029 -2.984 4.342 1.00 0.00 N ATOM 710 CZ ARG A 47 -15.417 -3.056 3.153 1.00 0.00 C ATOM 711 NH1 ARG A 47 -14.171 -2.609 3.013 1.00 0.00 N ATOM 712 NH2 ARG A 47 -16.070 -3.543 2.101 1.00 0.00 N ATOM 0 H ARG A 47 -16.463 -0.345 8.664 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.764 0.190 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.662 -1.182 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -16.434 -0.212 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.820 -2.151 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.038 -3.120 6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.721 -1.752 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.723 -3.432 5.917 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.025 -3.203 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.679 -2.210 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.708 -2.665 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.034 -3.860 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.606 -3.599 1.194 1.00 0.00 H new ATOM 726 N THR A 48 -18.777 -2.498 8.852 1.00 0.00 N ATOM 727 CA THR A 48 -19.568 -3.650 9.235 1.00 0.00 C ATOM 728 C THR A 48 -20.640 -3.280 10.274 1.00 0.00 C ATOM 729 O THR A 48 -21.505 -4.096 10.600 1.00 0.00 O ATOM 730 CB THR A 48 -18.668 -4.803 9.755 1.00 0.00 C ATOM 731 OG1 THR A 48 -19.424 -6.009 9.889 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.041 -4.448 11.088 1.00 0.00 C ATOM 0 H THR A 48 -17.998 -2.290 9.476 1.00 0.00 H new ATOM 0 HA THR A 48 -20.082 -4.001 8.340 1.00 0.00 H new ATOM 0 HB THR A 48 -17.873 -4.956 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.365 -5.789 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.416 -5.274 11.428 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.429 -3.553 10.976 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.826 -4.261 11.821 1.00 0.00 H new ATOM 740 N GLY A 49 -20.574 -2.047 10.784 1.00 0.00 N ATOM 741 CA GLY A 49 -21.560 -1.572 11.747 1.00 0.00 C ATOM 742 C GLY A 49 -21.424 -2.210 13.120 1.00 0.00 C ATOM 743 O GLY A 49 -22.413 -2.378 13.839 1.00 0.00 O ATOM 0 H GLY A 49 -19.852 -1.367 10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.467 -0.491 11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.559 -1.771 11.360 1.00 0.00 H new ATOM 747 N VAL A 50 -20.208 -2.555 13.482 1.00 0.00 N ATOM 748 CA VAL A 50 -19.932 -3.193 14.755 1.00 0.00 C ATOM 749 C VAL A 50 -18.988 -2.332 15.583 1.00 0.00 C ATOM 750 O VAL A 50 -18.204 -1.560 15.031 1.00 0.00 O ATOM 751 CB VAL A 50 -19.315 -4.608 14.564 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.954 -5.235 15.907 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.267 -5.513 13.796 1.00 0.00 C ATOM 0 H VAL A 50 -19.381 -2.402 12.904 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.881 -3.303 15.279 1.00 0.00 H new ATOM 0 HB VAL A 50 -18.399 -4.496 13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.525 -6.224 15.743 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.228 -4.604 16.419 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.851 -5.326 16.519 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.815 -6.497 13.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.202 -5.609 14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.467 -5.082 12.815 1.00 0.00 H new ATOM 763 N ALA A 51 -19.111 -2.424 16.908 1.00 0.00 N ATOM 764 CA ALA A 51 -18.232 -1.709 17.821 1.00 0.00 C ATOM 765 C ALA A 51 -16.773 -1.987 17.475 1.00 0.00 C ATOM 766 O ALA A 51 -16.392 -3.135 17.226 1.00 0.00 O ATOM 767 CB ALA A 51 -18.521 -2.146 19.255 1.00 0.00 C ATOM 0 H ALA A 51 -19.819 -2.993 17.371 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.414 -0.639 17.726 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.862 -1.610 19.938 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.559 -1.922 19.501 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.348 -3.218 19.350 1.00 0.00 H new ATOM 773 N VAL A 52 -15.968 -0.937 17.473 1.00 0.00 N ATOM 774 CA VAL A 52 -14.554 -1.036 17.122 1.00 0.00 C ATOM 775 C VAL A 52 -13.832 -1.955 18.098 1.00 0.00 C ATOM 776 O VAL A 52 -13.032 -2.800 17.699 1.00 0.00 O ATOM 777 CB VAL A 52 -13.872 0.359 17.115 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.369 0.239 16.914 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.489 1.254 16.047 1.00 0.00 C ATOM 0 H VAL A 52 -16.272 0.007 17.713 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.491 -1.452 16.116 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.041 0.818 18.089 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.921 1.233 16.914 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.940 -0.352 17.723 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.167 -0.250 15.961 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.997 2.227 16.059 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.360 0.794 15.067 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.552 1.383 16.250 1.00 0.00 H new ATOM 789 N ASN A 53 -14.136 -1.792 19.377 1.00 0.00 N ATOM 790 CA ASN A 53 -13.543 -2.620 20.424 1.00 0.00 C ATOM 791 C ASN A 53 -14.012 -4.070 20.291 1.00 0.00 C ATOM 792 O ASN A 53 -13.315 -5.008 20.691 1.00 0.00 O ATOM 793 CB ASN A 53 -13.880 -2.073 21.814 1.00 0.00 C ATOM 794 CG ASN A 53 -13.047 -2.720 22.909 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.897 -3.098 22.686 1.00 0.00 O ATOM 796 ND2 ASN A 53 -13.613 -2.836 24.096 1.00 0.00 N ATOM 0 H ASN A 53 -14.793 -1.091 19.719 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.460 -2.592 20.303 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.718 -0.995 21.827 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.938 -2.238 22.020 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.094 -3.252 24.870 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.569 -2.510 24.239 1.00 0.00 H new ATOM 803 N SER A 54 -15.202 -4.244 19.717 1.00 0.00 N ATOM 804 CA SER A 54 -15.768 -5.565 19.506 1.00 0.00 C ATOM 805 C SER A 54 -15.085 -6.279 18.348 1.00 0.00 C ATOM 806 O SER A 54 -15.281 -7.472 18.155 1.00 0.00 O ATOM 807 CB SER A 54 -17.266 -5.480 19.243 1.00 0.00 C ATOM 808 OG SER A 54 -17.967 -5.015 20.377 1.00 0.00 O ATOM 0 H SER A 54 -15.791 -3.478 19.390 1.00 0.00 H new ATOM 0 HA SER A 54 -15.600 -6.139 20.417 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.451 -4.813 18.401 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.643 -6.463 18.959 1.00 0.00 H new ATOM 0 HG SER A 54 -17.328 -4.694 21.047 1.00 0.00 H new ATOM 814 N LEU A 55 -14.304 -5.546 17.581 1.00 0.00 N ATOM 815 CA LEU A 55 -13.554 -6.132 16.489 1.00 0.00 C ATOM 816 C LEU A 55 -12.158 -6.477 16.940 1.00 0.00 C ATOM 817 O LEU A 55 -11.495 -5.689 17.610 1.00 0.00 O ATOM 818 CB LEU A 55 -13.473 -5.185 15.289 1.00 0.00 C ATOM 819 CG LEU A 55 -14.385 -5.506 14.105 1.00 0.00 C ATOM 820 CD1 LEU A 55 -14.171 -6.936 13.620 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.833 -5.266 14.461 1.00 0.00 C ATOM 0 H LEU A 55 -14.172 -4.541 17.694 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.079 -7.036 16.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.703 -4.177 15.634 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.443 -5.173 14.933 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.123 -4.834 13.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.832 -7.137 12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.135 -7.063 13.306 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.393 -7.632 14.429 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.462 -5.501 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.112 -5.903 15.301 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.971 -4.221 14.737 1.00 0.00 H new ATOM 833 N ARG A 56 -11.711 -7.651 16.570 1.00 0.00 N ATOM 834 CA ARG A 56 -10.395 -8.107 16.942 1.00 0.00 C ATOM 835 C ARG A 56 -9.710 -8.732 15.758 1.00 0.00 C ATOM 836 O ARG A 56 -10.190 -9.713 15.184 1.00 0.00 O ATOM 837 CB ARG A 56 -10.429 -9.092 18.140 1.00 0.00 C ATOM 838 CG ARG A 56 -11.459 -10.226 18.047 1.00 0.00 C ATOM 839 CD ARG A 56 -12.875 -9.738 18.339 1.00 0.00 C ATOM 840 NE ARG A 56 -12.918 -8.809 19.475 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.678 -8.966 20.559 1.00 0.00 C ATOM 842 NH1 ARG A 56 -14.436 -10.052 20.700 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.678 -8.034 21.505 1.00 0.00 N ATOM 0 H ARG A 56 -12.244 -8.313 16.007 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.826 -7.236 17.266 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.439 -9.535 18.249 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.626 -8.522 19.048 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.425 -10.665 17.050 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.195 -11.014 18.752 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.278 -9.246 17.454 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.517 -10.594 18.547 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.322 -7.982 19.432 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.438 -10.770 19.976 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.015 -10.165 21.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.098 -7.202 21.401 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.258 -8.151 22.336 1.00 0.00 H new ATOM 857 N PHE A 57 -8.600 -8.151 15.387 1.00 0.00 N ATOM 858 CA PHE A 57 -7.832 -8.616 14.266 1.00 0.00 C ATOM 859 C PHE A 57 -6.559 -9.242 14.759 1.00 0.00 C ATOM 860 O PHE A 57 -5.860 -8.673 15.604 1.00 0.00 O ATOM 861 CB PHE A 57 -7.521 -7.458 13.336 1.00 0.00 C ATOM 862 CG PHE A 57 -8.712 -6.939 12.583 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.781 -6.367 13.247 1.00 0.00 C ATOM 864 CD2 PHE A 57 -8.744 -6.995 11.212 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.857 -5.868 12.551 1.00 0.00 C ATOM 866 CE2 PHE A 57 -9.816 -6.499 10.510 1.00 0.00 C ATOM 867 CZ PHE A 57 -10.874 -5.936 11.180 1.00 0.00 C ATOM 0 H PHE A 57 -8.202 -7.338 15.857 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.407 -9.360 13.715 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.090 -6.644 13.919 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.762 -7.774 12.621 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.771 -6.311 14.326 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.915 -7.435 10.678 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.686 -5.424 13.081 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.826 -6.552 9.431 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.718 -5.547 10.629 1.00 0.00 H new ATOM 877 N LEU A 58 -6.261 -10.399 14.254 1.00 0.00 N ATOM 878 CA LEU A 58 -5.101 -11.126 14.680 1.00 0.00 C ATOM 879 C LEU A 58 -4.208 -11.479 13.518 1.00 0.00 C ATOM 880 O LEU A 58 -4.668 -11.687 12.399 1.00 0.00 O ATOM 881 CB LEU A 58 -5.490 -12.402 15.448 1.00 0.00 C ATOM 882 CG LEU A 58 -5.851 -12.219 16.929 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.193 -11.539 17.105 1.00 0.00 C ATOM 884 CD2 LEU A 58 -5.811 -13.537 17.664 1.00 0.00 C ATOM 0 H LEU A 58 -6.813 -10.867 13.536 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.547 -10.470 15.351 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.340 -12.860 14.942 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.662 -13.107 15.382 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.098 -11.563 17.365 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.409 -11.430 18.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.166 -10.555 16.637 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.971 -12.142 16.637 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.071 -13.378 18.711 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.525 -14.227 17.214 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.808 -13.959 17.599 1.00 0.00 H new ATOM 896 N PHE A 59 -2.937 -11.519 13.789 1.00 0.00 N ATOM 897 CA PHE A 59 -1.961 -11.925 12.826 1.00 0.00 C ATOM 898 C PHE A 59 -1.142 -13.016 13.459 1.00 0.00 C ATOM 899 O PHE A 59 -0.640 -12.838 14.551 1.00 0.00 O ATOM 900 CB PHE A 59 -1.046 -10.765 12.445 1.00 0.00 C ATOM 901 CG PHE A 59 -0.114 -11.097 11.310 1.00 0.00 C ATOM 902 CD1 PHE A 59 -0.462 -10.801 10.007 1.00 0.00 C ATOM 903 CD2 PHE A 59 1.098 -11.720 11.548 1.00 0.00 C ATOM 904 CE1 PHE A 59 0.380 -11.114 8.960 1.00 0.00 C ATOM 905 CE2 PHE A 59 1.946 -12.036 10.507 1.00 0.00 C ATOM 906 CZ PHE A 59 1.587 -11.732 9.210 1.00 0.00 C ATOM 0 H PHE A 59 -2.546 -11.267 14.697 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.457 -12.268 11.918 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.656 -9.905 12.167 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.459 -10.472 13.315 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.406 -10.318 9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.384 -11.962 12.561 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.094 -10.875 7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.890 -12.521 10.707 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.249 -11.977 8.393 1.00 0.00 H new ATOM 916 N ASP A 60 -1.036 -14.146 12.798 1.00 0.00 N ATOM 917 CA ASP A 60 -0.277 -15.297 13.326 1.00 0.00 C ATOM 918 C ASP A 60 -0.842 -15.752 14.686 1.00 0.00 C ATOM 919 O ASP A 60 -0.160 -16.375 15.491 1.00 0.00 O ATOM 920 CB ASP A 60 1.208 -14.930 13.464 1.00 0.00 C ATOM 921 CG ASP A 60 2.091 -16.127 13.751 1.00 0.00 C ATOM 922 OD1 ASP A 60 2.327 -16.933 12.831 1.00 0.00 O ATOM 923 OD2 ASP A 60 2.555 -16.274 14.896 1.00 0.00 O ATOM 0 H ASP A 60 -1.463 -14.310 11.886 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.376 -16.124 12.623 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.544 -14.450 12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.323 -14.200 14.266 1.00 0.00 H new ATOM 928 N GLY A 61 -2.099 -15.453 14.912 1.00 0.00 N ATOM 929 CA GLY A 61 -2.745 -15.844 16.143 1.00 0.00 C ATOM 930 C GLY A 61 -2.496 -14.868 17.274 1.00 0.00 C ATOM 931 O GLY A 61 -2.894 -15.114 18.412 1.00 0.00 O ATOM 0 H GLY A 61 -2.694 -14.941 14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.818 -15.930 15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.389 -16.831 16.437 1.00 0.00 H new ATOM 935 N ARG A 62 -1.846 -13.761 16.971 1.00 0.00 N ATOM 936 CA ARG A 62 -1.597 -12.749 17.973 1.00 0.00 C ATOM 937 C ARG A 62 -2.366 -11.501 17.616 1.00 0.00 C ATOM 938 O ARG A 62 -2.520 -11.180 16.438 1.00 0.00 O ATOM 939 CB ARG A 62 -0.077 -12.480 18.129 1.00 0.00 C ATOM 940 CG ARG A 62 0.631 -11.886 16.908 1.00 0.00 C ATOM 941 CD ARG A 62 0.486 -10.367 16.815 1.00 0.00 C ATOM 942 NE ARG A 62 1.366 -9.664 17.752 1.00 0.00 N ATOM 943 CZ ARG A 62 1.458 -8.330 17.854 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.692 -7.546 17.098 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.317 -7.788 18.708 1.00 0.00 N ATOM 0 H ARG A 62 -1.483 -13.542 16.043 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.946 -13.101 18.944 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.067 -11.804 18.972 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.413 -13.419 18.387 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.690 -12.143 16.948 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.227 -12.340 16.003 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.711 -10.045 15.798 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.549 -10.090 17.016 1.00 0.00 H new ATOM 0 HE ARG A 62 1.949 -10.228 18.370 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.033 -7.960 16.439 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.765 -6.532 17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.907 -8.386 19.287 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.387 -6.773 18.786 1.00 0.00 H new ATOM 959 N ARG A 63 -2.857 -10.805 18.612 1.00 0.00 N ATOM 960 CA ARG A 63 -3.673 -9.635 18.364 1.00 0.00 C ATOM 961 C ARG A 63 -2.833 -8.502 17.842 1.00 0.00 C ATOM 962 O ARG A 63 -1.772 -8.201 18.387 1.00 0.00 O ATOM 963 CB ARG A 63 -4.427 -9.180 19.624 1.00 0.00 C ATOM 964 CG ARG A 63 -5.404 -10.202 20.211 1.00 0.00 C ATOM 965 CD ARG A 63 -4.687 -11.264 21.027 1.00 0.00 C ATOM 966 NE ARG A 63 -3.927 -10.670 22.129 1.00 0.00 N ATOM 967 CZ ARG A 63 -3.082 -11.335 22.914 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.888 -12.639 22.741 1.00 0.00 N ATOM 969 NH2 ARG A 63 -2.437 -10.690 23.880 1.00 0.00 N ATOM 0 H ARG A 63 -2.709 -11.024 19.597 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.410 -9.917 17.612 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.696 -8.920 20.390 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.978 -8.270 19.388 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.131 -9.689 20.841 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.961 -10.678 19.404 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.414 -11.972 21.425 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.014 -11.828 20.381 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.054 -9.674 22.308 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.388 -13.136 22.003 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.239 -13.143 23.346 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.591 -9.691 24.017 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.788 -11.194 24.485 1.00 0.00 H new ATOM 983 N ILE A 64 -3.304 -7.891 16.784 1.00 0.00 N ATOM 984 CA ILE A 64 -2.644 -6.740 16.208 1.00 0.00 C ATOM 985 C ILE A 64 -2.917 -5.560 17.115 1.00 0.00 C ATOM 986 O ILE A 64 -4.054 -5.338 17.520 1.00 0.00 O ATOM 987 CB ILE A 64 -3.165 -6.476 14.765 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.904 -7.718 13.903 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.485 -5.253 14.146 1.00 0.00 C ATOM 990 CD1 ILE A 64 -3.545 -7.675 12.535 1.00 0.00 C ATOM 0 H ILE A 64 -4.154 -8.175 16.296 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.570 -6.910 16.130 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.235 -6.273 14.809 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.828 -7.842 13.783 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.269 -8.597 14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.869 -5.094 13.138 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.692 -4.374 14.756 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.409 -5.419 14.102 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.309 -8.591 11.994 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.626 -7.585 12.642 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.163 -6.818 11.981 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.878 -4.844 17.465 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.980 -3.770 18.432 1.00 0.00 C ATOM 1004 C ASN A 65 -1.737 -2.428 17.782 1.00 0.00 C ATOM 1005 O ASN A 65 -1.283 -2.345 16.653 1.00 0.00 O ATOM 1006 CB ASN A 65 -0.973 -3.966 19.578 1.00 0.00 C ATOM 1007 CG ASN A 65 -1.126 -5.289 20.321 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -0.133 -5.891 20.739 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -2.354 -5.744 20.503 1.00 0.00 N ATOM 0 H ASN A 65 -0.939 -4.985 17.092 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.993 -3.792 18.835 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.038 -3.903 19.174 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.084 -3.147 20.289 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.504 -6.620 21.003 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.151 -5.219 20.143 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.085 -1.375 18.484 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.827 -0.028 18.002 1.00 0.00 C ATOM 1018 C ASP A 66 -0.396 0.350 18.332 1.00 0.00 C ATOM 1019 O ASP A 66 0.100 1.395 17.920 1.00 0.00 O ATOM 1020 CB ASP A 66 -2.764 0.970 18.678 1.00 0.00 C ATOM 1021 CG ASP A 66 -2.457 1.122 20.156 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -2.787 0.199 20.938 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -1.856 2.148 20.540 1.00 0.00 O ATOM 0 H ASP A 66 -2.548 -1.420 19.392 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.993 -0.002 16.925 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.677 1.939 18.187 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.796 0.641 18.553 1.00 0.00 H new ATOM 1028 N ASP A 67 0.256 -0.517 19.081 1.00 0.00 N ATOM 1029 CA ASP A 67 1.593 -0.259 19.565 1.00 0.00 C ATOM 1030 C ASP A 67 2.616 -1.199 18.926 1.00 0.00 C ATOM 1031 O ASP A 67 3.816 -1.085 19.179 1.00 0.00 O ATOM 1032 CB ASP A 67 1.607 -0.410 21.087 1.00 0.00 C ATOM 1033 CG ASP A 67 2.883 0.083 21.723 1.00 0.00 C ATOM 1034 OD1 ASP A 67 3.140 1.300 21.674 1.00 0.00 O ATOM 1035 OD2 ASP A 67 3.618 -0.738 22.304 1.00 0.00 O ATOM 0 H ASP A 67 -0.127 -1.417 19.369 1.00 0.00 H new ATOM 0 HA ASP A 67 1.874 0.757 19.289 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.764 0.138 21.507 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.464 -1.460 21.343 1.00 0.00 H new ATOM 1040 N ASP A 68 2.151 -2.120 18.087 1.00 0.00 N ATOM 1041 CA ASP A 68 3.054 -3.059 17.440 1.00 0.00 C ATOM 1042 C ASP A 68 3.808 -2.400 16.292 1.00 0.00 C ATOM 1043 O ASP A 68 3.492 -1.275 15.895 1.00 0.00 O ATOM 1044 CB ASP A 68 2.331 -4.344 16.990 1.00 0.00 C ATOM 1045 CG ASP A 68 1.216 -4.138 15.999 1.00 0.00 C ATOM 1046 OD1 ASP A 68 1.229 -3.145 15.259 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.305 -4.992 15.986 1.00 0.00 O ATOM 0 H ASP A 68 1.167 -2.234 17.843 1.00 0.00 H new ATOM 0 HA ASP A 68 3.791 -3.362 18.184 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.065 -5.020 16.552 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.925 -4.841 17.871 1.00 0.00 H new ATOM 1052 N THR A 69 4.825 -3.074 15.798 1.00 0.00 N ATOM 1053 CA THR A 69 5.642 -2.535 14.737 1.00 0.00 C ATOM 1054 C THR A 69 5.540 -3.396 13.491 1.00 0.00 C ATOM 1055 O THR A 69 5.256 -4.598 13.578 1.00 0.00 O ATOM 1056 CB THR A 69 7.123 -2.429 15.172 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.590 -3.704 15.648 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.299 -1.380 16.259 1.00 0.00 C ATOM 0 H THR A 69 5.105 -4.001 16.118 1.00 0.00 H new ATOM 0 HA THR A 69 5.270 -1.535 14.513 1.00 0.00 H new ATOM 0 HB THR A 69 7.710 -2.128 14.304 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.529 -3.628 15.920 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.349 -1.326 16.546 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.975 -0.409 15.884 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.699 -1.652 17.127 1.00 0.00 H new ATOM 1066 N PRO A 70 5.794 -2.810 12.316 1.00 0.00 N ATOM 1067 CA PRO A 70 5.700 -3.527 11.049 1.00 0.00 C ATOM 1068 C PRO A 70 6.637 -4.720 10.988 1.00 0.00 C ATOM 1069 O PRO A 70 6.330 -5.715 10.358 1.00 0.00 O ATOM 1070 CB PRO A 70 6.116 -2.481 10.006 1.00 0.00 C ATOM 1071 CG PRO A 70 6.809 -1.415 10.778 1.00 0.00 C ATOM 1072 CD PRO A 70 6.158 -1.398 12.121 1.00 0.00 C ATOM 0 HA PRO A 70 4.701 -3.933 10.893 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.775 -2.915 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.249 -2.084 9.478 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.875 -1.624 10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.712 -0.448 10.284 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.837 -1.043 12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.284 -0.747 12.140 1.00 0.00 H new ATOM 1080 N LYS A 71 7.775 -4.624 11.663 1.00 0.00 N ATOM 1081 CA LYS A 71 8.740 -5.705 11.652 1.00 0.00 C ATOM 1082 C LYS A 71 8.325 -6.886 12.530 1.00 0.00 C ATOM 1083 O LYS A 71 8.681 -8.023 12.247 1.00 0.00 O ATOM 1084 CB LYS A 71 10.153 -5.199 11.999 1.00 0.00 C ATOM 1085 CG LYS A 71 10.295 -4.470 13.341 1.00 0.00 C ATOM 1086 CD LYS A 71 10.276 -5.415 14.537 1.00 0.00 C ATOM 1087 CE LYS A 71 11.302 -6.526 14.388 1.00 0.00 C ATOM 1088 NZ LYS A 71 11.464 -7.309 15.636 1.00 0.00 N ATOM 0 H LYS A 71 8.047 -3.814 12.220 1.00 0.00 H new ATOM 0 HA LYS A 71 8.765 -6.087 10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.833 -6.051 11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.482 -4.527 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.228 -3.906 13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.485 -3.747 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.477 -4.853 15.449 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.282 -5.849 14.643 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.999 -7.192 13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.262 -6.096 14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.173 -8.055 15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.778 -6.680 16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.555 -7.742 15.895 1.00 0.00 H new ATOM 1102 N THR A 72 7.567 -6.628 13.592 1.00 0.00 N ATOM 1103 CA THR A 72 7.164 -7.708 14.480 1.00 0.00 C ATOM 1104 C THR A 72 6.051 -8.525 13.841 1.00 0.00 C ATOM 1105 O THR A 72 5.925 -9.728 14.080 1.00 0.00 O ATOM 1106 CB THR A 72 6.745 -7.210 15.900 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.769 -8.306 16.823 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.349 -6.602 15.895 1.00 0.00 C ATOM 0 H THR A 72 7.227 -5.702 13.853 1.00 0.00 H new ATOM 0 HA THR A 72 8.038 -8.342 14.627 1.00 0.00 H new ATOM 0 HB THR A 72 7.456 -6.440 16.202 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.507 -7.990 17.713 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.094 -6.268 16.901 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.325 -5.752 15.213 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.627 -7.350 15.568 1.00 0.00 H new ATOM 1116 N LEU A 73 5.258 -7.869 13.018 1.00 0.00 N ATOM 1117 CA LEU A 73 4.192 -8.545 12.303 1.00 0.00 C ATOM 1118 C LEU A 73 4.676 -8.997 10.938 1.00 0.00 C ATOM 1119 O LEU A 73 4.163 -9.957 10.378 1.00 0.00 O ATOM 1120 CB LEU A 73 2.994 -7.612 12.127 1.00 0.00 C ATOM 1121 CG LEU A 73 2.314 -7.142 13.407 1.00 0.00 C ATOM 1122 CD1 LEU A 73 1.210 -6.154 13.079 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.752 -8.330 14.160 1.00 0.00 C ATOM 0 H LEU A 73 5.331 -6.870 12.827 1.00 0.00 H new ATOM 0 HA LEU A 73 3.890 -9.415 12.886 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.322 -6.734 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.252 -8.120 11.511 1.00 0.00 H new ATOM 0 HG LEU A 73 3.050 -6.644 14.038 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.731 -5.825 14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.634 -5.293 12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.471 -6.634 12.437 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.268 -7.986 15.074 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.023 -8.845 13.535 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.561 -9.015 14.414 1.00 0.00 H new ATOM 1135 N GLU A 74 5.708 -8.318 10.452 1.00 0.00 N ATOM 1136 CA GLU A 74 6.274 -8.535 9.119 1.00 0.00 C ATOM 1137 C GLU A 74 5.179 -8.770 8.076 1.00 0.00 C ATOM 1138 O GLU A 74 5.106 -9.831 7.449 1.00 0.00 O ATOM 1139 CB GLU A 74 7.302 -9.667 9.108 1.00 0.00 C ATOM 1140 CG GLU A 74 8.125 -9.707 7.826 1.00 0.00 C ATOM 1141 CD GLU A 74 9.159 -10.796 7.828 1.00 0.00 C ATOM 1142 OE1 GLU A 74 9.153 -11.628 6.896 1.00 0.00 O ATOM 1143 OE2 GLU A 74 9.990 -10.829 8.754 1.00 0.00 O ATOM 0 H GLU A 74 6.186 -7.588 10.980 1.00 0.00 H new ATOM 0 HA GLU A 74 6.801 -7.620 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.972 -9.551 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.788 -10.620 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.457 -9.849 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.618 -8.745 7.687 1.00 0.00 H new ATOM 1150 N MET A 75 4.302 -7.792 7.939 1.00 0.00 N ATOM 1151 CA MET A 75 3.231 -7.865 6.971 1.00 0.00 C ATOM 1152 C MET A 75 3.733 -7.408 5.618 1.00 0.00 C ATOM 1153 O MET A 75 4.617 -6.550 5.533 1.00 0.00 O ATOM 1154 CB MET A 75 2.044 -7.011 7.410 1.00 0.00 C ATOM 1155 CG MET A 75 1.455 -7.430 8.744 1.00 0.00 C ATOM 1156 SD MET A 75 -0.033 -6.508 9.182 1.00 0.00 S ATOM 1157 CE MET A 75 0.647 -4.873 9.478 1.00 0.00 C ATOM 0 H MET A 75 4.314 -6.934 8.491 1.00 0.00 H new ATOM 0 HA MET A 75 2.896 -8.900 6.899 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.360 -5.970 7.473 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.267 -7.063 6.647 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.220 -8.494 8.712 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.204 -7.292 9.524 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.111 -4.243 9.944 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.510 -4.952 10.139 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.955 -4.430 8.531 1.00 0.00 H new ATOM 1167 N GLU A 76 3.174 -7.962 4.569 1.00 0.00 N ATOM 1168 CA GLU A 76 3.592 -7.642 3.231 1.00 0.00 C ATOM 1169 C GLU A 76 2.381 -7.494 2.340 1.00 0.00 C ATOM 1170 O GLU A 76 1.247 -7.627 2.806 1.00 0.00 O ATOM 1171 CB GLU A 76 4.556 -8.704 2.696 1.00 0.00 C ATOM 1172 CG GLU A 76 3.996 -10.113 2.694 1.00 0.00 C ATOM 1173 CD GLU A 76 5.026 -11.137 2.288 1.00 0.00 C ATOM 1174 OE1 GLU A 76 5.386 -11.183 1.092 1.00 0.00 O ATOM 1175 OE2 GLU A 76 5.484 -11.902 3.158 1.00 0.00 O ATOM 0 H GLU A 76 2.419 -8.645 4.622 1.00 0.00 H new ATOM 0 HA GLU A 76 4.128 -6.693 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.842 -8.438 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.465 -8.688 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.620 -10.354 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.148 -10.164 2.011 1.00 0.00 H new ATOM 1182 N ASP A 77 2.609 -7.214 1.076 1.00 0.00 N ATOM 1183 CA ASP A 77 1.524 -6.962 0.153 1.00 0.00 C ATOM 1184 C ASP A 77 0.632 -8.185 -0.050 1.00 0.00 C ATOM 1185 O ASP A 77 1.081 -9.246 -0.507 1.00 0.00 O ATOM 1186 CB ASP A 77 2.052 -6.463 -1.187 1.00 0.00 C ATOM 1187 CG ASP A 77 0.940 -6.006 -2.106 1.00 0.00 C ATOM 1188 OD1 ASP A 77 0.226 -5.055 -1.739 1.00 0.00 O ATOM 1189 OD2 ASP A 77 0.783 -6.583 -3.205 1.00 0.00 O ATOM 0 H ASP A 77 3.539 -7.155 0.662 1.00 0.00 H new ATOM 0 HA ASP A 77 0.908 -6.183 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.744 -5.638 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.618 -7.259 -1.672 1.00 0.00 H new ATOM 1194 N ASP A 78 -0.627 -8.002 0.327 1.00 0.00 N ATOM 1195 CA ASP A 78 -1.710 -8.984 0.169 1.00 0.00 C ATOM 1196 C ASP A 78 -1.562 -10.128 1.158 1.00 0.00 C ATOM 1197 O ASP A 78 -1.898 -11.279 0.861 1.00 0.00 O ATOM 1198 CB ASP A 78 -1.788 -9.498 -1.271 1.00 0.00 C ATOM 1199 CG ASP A 78 -3.156 -10.046 -1.639 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -4.150 -9.299 -1.527 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -3.239 -11.207 -2.093 1.00 0.00 O ATOM 0 H ASP A 78 -0.941 -7.137 0.768 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.651 -8.479 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.533 -8.687 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.041 -10.279 -1.412 1.00 0.00 H new ATOM 1206 N ASP A 79 -1.060 -9.808 2.350 1.00 0.00 N ATOM 1207 CA ASP A 79 -0.922 -10.807 3.394 1.00 0.00 C ATOM 1208 C ASP A 79 -2.285 -11.118 3.986 1.00 0.00 C ATOM 1209 O ASP A 79 -3.290 -10.503 3.623 1.00 0.00 O ATOM 1210 CB ASP A 79 0.035 -10.371 4.495 1.00 0.00 C ATOM 1211 CG ASP A 79 0.762 -11.554 5.130 1.00 0.00 C ATOM 1212 OD1 ASP A 79 1.960 -11.737 4.846 1.00 0.00 O ATOM 1213 OD2 ASP A 79 0.129 -12.317 5.892 1.00 0.00 O ATOM 0 H ASP A 79 -0.747 -8.873 2.610 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.499 -11.701 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.767 -9.676 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.519 -9.833 5.264 1.00 0.00 H new ATOM 1218 N VAL A 80 -2.315 -12.038 4.894 1.00 0.00 N ATOM 1219 CA VAL A 80 -3.548 -12.532 5.431 1.00 0.00 C ATOM 1220 C VAL A 80 -3.708 -12.126 6.880 1.00 0.00 C ATOM 1221 O VAL A 80 -2.807 -12.313 7.698 1.00 0.00 O ATOM 1222 CB VAL A 80 -3.566 -14.046 5.353 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -4.935 -14.602 5.693 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -3.067 -14.508 3.998 1.00 0.00 C ATOM 0 H VAL A 80 -1.481 -12.473 5.289 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.365 -12.108 4.847 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.883 -14.444 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.912 -15.690 5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.207 -14.305 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.671 -14.211 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.085 -15.597 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.710 -14.104 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.047 -14.156 3.847 1.00 0.00 H new ATOM 1234 N ILE A 81 -4.846 -11.593 7.183 1.00 0.00 N ATOM 1235 CA ILE A 81 -5.168 -11.160 8.519 1.00 0.00 C ATOM 1236 C ILE A 81 -6.364 -11.941 9.028 1.00 0.00 C ATOM 1237 O ILE A 81 -7.352 -12.133 8.307 1.00 0.00 O ATOM 1238 CB ILE A 81 -5.405 -9.618 8.589 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -4.176 -8.907 9.176 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -6.654 -9.261 9.378 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -2.919 -9.037 8.342 1.00 0.00 C ATOM 0 H ILE A 81 -5.594 -11.440 6.506 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.317 -11.364 9.168 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.560 -9.272 7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.408 -7.849 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.980 -9.308 10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.775 -8.178 9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.525 -9.715 8.905 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.559 -9.634 10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.102 -8.506 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.657 -10.090 8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.092 -8.609 7.355 1.00 0.00 H new ATOM 1253 N GLU A 82 -6.268 -12.395 10.251 1.00 0.00 N ATOM 1254 CA GLU A 82 -7.276 -13.241 10.832 1.00 0.00 C ATOM 1255 C GLU A 82 -8.231 -12.426 11.682 1.00 0.00 C ATOM 1256 O GLU A 82 -7.815 -11.560 12.445 1.00 0.00 O ATOM 1257 CB GLU A 82 -6.598 -14.300 11.683 1.00 0.00 C ATOM 1258 CG GLU A 82 -5.509 -15.058 10.936 1.00 0.00 C ATOM 1259 CD GLU A 82 -4.752 -16.024 11.817 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -5.176 -17.191 11.925 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -3.722 -15.629 12.401 1.00 0.00 O ATOM 0 H GLU A 82 -5.487 -12.187 10.873 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.850 -13.716 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.164 -13.827 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.347 -15.008 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.958 -15.606 10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.808 -14.344 10.503 1.00 0.00 H new ATOM 1268 N VAL A 83 -9.499 -12.694 11.539 1.00 0.00 N ATOM 1269 CA VAL A 83 -10.513 -12.003 12.307 1.00 0.00 C ATOM 1270 C VAL A 83 -11.412 -12.993 13.012 1.00 0.00 C ATOM 1271 O VAL A 83 -11.849 -13.991 12.426 1.00 0.00 O ATOM 1272 CB VAL A 83 -11.359 -11.044 11.436 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -12.466 -10.388 12.254 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -10.474 -9.987 10.834 1.00 0.00 C ATOM 0 H VAL A 83 -9.864 -13.393 10.892 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.992 -11.397 13.048 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.824 -11.627 10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.043 -9.720 11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.122 -11.157 12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.025 -9.817 13.071 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.075 -9.315 10.222 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.992 -9.419 11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.713 -10.460 10.213 1.00 0.00 H new ATOM 1284 N TYR A 84 -11.652 -12.738 14.269 1.00 0.00 N ATOM 1285 CA TYR A 84 -12.493 -13.576 15.071 1.00 0.00 C ATOM 1286 C TYR A 84 -13.820 -12.893 15.339 1.00 0.00 C ATOM 1287 O TYR A 84 -13.969 -11.700 15.075 1.00 0.00 O ATOM 1288 CB TYR A 84 -11.778 -13.980 16.350 1.00 0.00 C ATOM 1289 CG TYR A 84 -10.603 -14.897 16.083 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -9.319 -14.394 15.927 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -10.789 -16.265 15.956 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -8.253 -15.229 15.655 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -9.730 -17.109 15.690 1.00 0.00 C ATOM 1294 CZ TYR A 84 -8.466 -16.588 15.538 1.00 0.00 C ATOM 1295 OH TYR A 84 -7.411 -17.428 15.258 1.00 0.00 O ATOM 0 H TYR A 84 -11.265 -11.936 14.767 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.710 -14.494 14.524 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.429 -13.086 16.867 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.482 -14.479 17.016 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.150 -13.331 16.020 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.781 -16.678 16.067 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.260 -14.822 15.535 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.893 -18.173 15.602 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.733 -18.352 15.210 1.00 0.00 H new ATOM 1305 N GLN A 85 -14.771 -13.642 15.874 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.125 -13.146 16.046 1.00 0.00 C ATOM 1307 C GLN A 85 -16.177 -11.989 17.028 1.00 0.00 C ATOM 1308 O GLN A 85 -15.528 -11.997 18.087 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.056 -14.284 16.486 1.00 0.00 C ATOM 1310 CG GLN A 85 -16.650 -14.954 17.791 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.448 -16.210 18.072 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.073 -17.302 17.647 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -18.546 -16.070 18.784 1.00 0.00 N ATOM 0 H GLN A 85 -14.628 -14.599 16.197 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.469 -12.767 15.084 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.067 -13.891 16.592 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.088 -15.037 15.699 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -15.589 -15.202 17.753 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -16.784 -14.251 18.613 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.823 -15.147 19.118 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.120 -16.885 19.002 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.948 -10.995 16.648 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.054 -9.750 17.363 1.00 0.00 C ATOM 1324 C GLU A 86 -17.780 -9.903 18.668 1.00 0.00 C ATOM 1325 O GLU A 86 -18.564 -10.826 18.858 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.800 -8.724 16.522 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.187 -8.462 15.172 1.00 0.00 C ATOM 1328 CD GLU A 86 -17.727 -9.390 14.092 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.265 -10.463 14.438 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -17.630 -9.043 12.905 1.00 0.00 O ATOM 0 H GLU A 86 -17.532 -11.034 15.812 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.036 -9.419 17.567 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.826 -9.064 16.382 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.848 -7.785 17.074 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.378 -7.428 14.885 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.105 -8.580 15.239 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.510 -8.986 19.565 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.191 -8.943 20.841 1.00 0.00 C ATOM 1339 C GLN A 87 -19.674 -8.649 20.632 1.00 0.00 C ATOM 1340 O GLN A 87 -20.547 -9.283 21.228 1.00 0.00 O ATOM 1341 CB GLN A 87 -17.552 -7.874 21.722 1.00 0.00 C ATOM 1342 CG GLN A 87 -18.213 -7.699 23.068 1.00 0.00 C ATOM 1343 CD GLN A 87 -17.476 -6.720 23.951 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -16.834 -5.789 23.467 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -17.572 -6.911 25.249 1.00 0.00 N ATOM 0 H GLN A 87 -16.816 -8.250 19.434 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.099 -9.910 21.335 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -16.503 -8.127 21.876 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.576 -6.922 21.192 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.237 -7.354 22.924 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -18.269 -8.665 23.570 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.114 -7.696 25.610 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.104 -6.274 25.894 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.945 -7.694 19.760 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.299 -7.286 19.465 1.00 0.00 C ATOM 1356 C LEU A 88 -21.851 -8.043 18.258 1.00 0.00 C ATOM 1357 O LEU A 88 -23.049 -8.292 18.165 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.347 -5.775 19.214 1.00 0.00 C ATOM 1359 CG LEU A 88 -22.736 -5.183 18.974 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -23.622 -5.390 20.193 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.633 -3.706 18.627 1.00 0.00 C ATOM 0 H LEU A 88 -19.232 -7.183 19.240 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.924 -7.525 20.325 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.901 -5.269 20.070 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -20.723 -5.550 18.349 1.00 0.00 H new ATOM 0 HG LEU A 88 -23.191 -5.701 18.130 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -24.607 -4.962 20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -23.722 -6.457 20.393 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -23.173 -4.899 21.057 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -23.631 -3.301 18.459 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -22.158 -3.171 19.449 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.036 -3.585 17.723 1.00 0.00 H new