USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 111 ASN : amide:sc= -3.27! K(o=-2.7!,f=-0.21) USER MOD Set 1.2: A 113 LYS NZ :NH3+ -123:sc= 0.565 (180deg=-0.847) USER MOD Set 2.1: A 87 THR OG1 : rot -94:sc= 0.964 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -2.62 K(o=-1.7,f=-8.2!) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 TYR OH : rot 180:sc= -0.603 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 16:sc= 0.19 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0342) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 22 THR OG1 : rot 49:sc= 0.363 USER MOD Single : A 25 HIS : no HE2:sc= -2.03 K(o=-2,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 133:sc= -1.17 (180deg=-4.28!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 139:sc= -1.4 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.631 (180deg=-1.29) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.0644 (180deg=-0.36) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -6.5 K(o=-6.5,f=-11!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -81:sc= -2.66 USER MOD Single : A 100 LYS NZ :NH3+ 162:sc= -0.0997 (180deg=-0.539) USER MOD Single : A 103 ASN : amide:sc= -9.34! C(o=-9.3!,f=-11!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.666 USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.940 -9.172 11.994 1.00 0.00 N ATOM 180 CA ASN A 10 -0.804 -8.475 10.722 1.00 0.00 C ATOM 181 C ASN A 10 0.526 -7.743 10.639 1.00 0.00 C ATOM 182 O ASN A 10 1.369 -8.044 9.793 1.00 0.00 O ATOM 183 CB ASN A 10 -1.950 -7.479 10.544 1.00 0.00 C ATOM 184 CG ASN A 10 -3.241 -7.954 11.182 1.00 0.00 C ATOM 185 OD1 ASN A 10 -4.028 -8.666 10.559 1.00 0.00 O ATOM 186 ND2 ASN A 10 -3.466 -7.555 12.428 1.00 0.00 N ATOM 0 HA ASN A 10 -0.840 -9.218 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.665 -6.521 10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.116 -7.309 9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.320 -7.839 12.908 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.785 -6.965 12.905 1.00 0.00 H new ATOM 193 N ASP A 11 0.696 -6.781 11.527 1.00 0.00 N ATOM 194 CA ASP A 11 1.906 -5.982 11.588 1.00 0.00 C ATOM 195 C ASP A 11 3.143 -6.861 11.720 1.00 0.00 C ATOM 196 O ASP A 11 3.424 -7.407 12.786 1.00 0.00 O ATOM 197 CB ASP A 11 1.827 -5.000 12.758 1.00 0.00 C ATOM 198 CG ASP A 11 1.326 -5.655 14.032 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.154 -6.216 14.778 1.00 0.00 O ATOM 200 OD2 ASP A 11 0.103 -5.605 14.283 1.00 0.00 O ATOM 0 H ASP A 11 -0.002 -6.531 12.227 1.00 0.00 H new ATOM 0 HA ASP A 11 1.990 -5.423 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.814 -4.572 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.165 -4.176 12.492 1.00 0.00 H new ATOM 205 N LYS A 12 3.865 -7.001 10.617 1.00 0.00 N ATOM 206 CA LYS A 12 5.086 -7.798 10.588 1.00 0.00 C ATOM 207 C LYS A 12 6.306 -6.886 10.640 1.00 0.00 C ATOM 208 O LYS A 12 6.509 -6.049 9.762 1.00 0.00 O ATOM 209 CB LYS A 12 5.120 -8.682 9.342 1.00 0.00 C ATOM 210 CG LYS A 12 5.039 -7.913 8.033 1.00 0.00 C ATOM 211 CD LYS A 12 5.120 -8.846 6.834 1.00 0.00 C ATOM 212 CE LYS A 12 6.483 -9.513 6.734 1.00 0.00 C ATOM 213 NZ LYS A 12 6.581 -10.405 5.546 1.00 0.00 N ATOM 0 H LYS A 12 3.625 -6.570 9.724 1.00 0.00 H new ATOM 0 HA LYS A 12 5.103 -8.449 11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.039 -9.268 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.291 -9.388 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.105 -7.352 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.850 -7.186 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.346 -9.609 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.921 -8.284 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.258 -8.748 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.671 -10.092 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.525 -10.840 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.859 -11.150 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.427 -9.849 4.681 1.00 0.00 H new ATOM 227 N TRP A 13 7.118 -7.059 11.674 1.00 0.00 N ATOM 228 CA TRP A 13 8.296 -6.237 11.880 1.00 0.00 C ATOM 229 C TRP A 13 9.563 -7.004 11.494 1.00 0.00 C ATOM 230 O TRP A 13 9.934 -7.968 12.165 1.00 0.00 O ATOM 231 CB TRP A 13 8.331 -5.803 13.355 1.00 0.00 C ATOM 232 CG TRP A 13 6.995 -5.303 13.854 1.00 0.00 C ATOM 233 CD1 TRP A 13 5.797 -5.960 13.782 1.00 0.00 C ATOM 234 CD2 TRP A 13 6.715 -4.050 14.501 1.00 0.00 C ATOM 235 NE1 TRP A 13 4.796 -5.189 14.309 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.329 -4.016 14.760 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.494 -2.954 14.878 1.00 0.00 C ATOM 238 CZ2 TRP A 13 4.706 -2.932 15.373 1.00 0.00 C ATOM 239 CZ3 TRP A 13 6.875 -1.878 15.494 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.494 -1.873 15.733 1.00 0.00 C ATOM 0 H TRP A 13 6.977 -7.772 12.390 1.00 0.00 H new ATOM 0 HA TRP A 13 8.252 -5.353 11.244 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.650 -6.646 13.969 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.077 -5.018 13.480 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.660 -6.948 13.368 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.811 -5.449 14.357 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.558 -2.945 14.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.642 -2.927 15.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.468 -1.027 15.796 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.043 -1.016 16.211 1.00 0.00 H new ATOM 251 N VAL A 14 10.234 -6.576 10.413 1.00 0.00 N ATOM 252 CA VAL A 14 11.440 -7.274 9.952 1.00 0.00 C ATOM 253 C VAL A 14 12.451 -6.341 9.299 1.00 0.00 C ATOM 254 O VAL A 14 12.270 -5.125 9.250 1.00 0.00 O ATOM 255 CB VAL A 14 11.090 -8.386 8.941 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.260 -9.476 9.599 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.364 -7.803 7.737 1.00 0.00 C ATOM 0 H VAL A 14 9.968 -5.766 9.853 1.00 0.00 H new ATOM 0 HA VAL A 14 11.888 -7.702 10.849 1.00 0.00 H new ATOM 0 HB VAL A 14 12.020 -8.837 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.026 -10.248 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.824 -9.916 10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.334 -9.047 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.125 -8.601 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.443 -7.321 8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.003 -7.068 7.247 1.00 0.00 H new ATOM 267 N ASP A 15 13.521 -6.951 8.798 1.00 0.00 N ATOM 268 CA ASP A 15 14.602 -6.239 8.131 1.00 0.00 C ATOM 269 C ASP A 15 14.371 -6.212 6.622 1.00 0.00 C ATOM 270 O ASP A 15 13.317 -6.636 6.147 1.00 0.00 O ATOM 271 CB ASP A 15 15.924 -6.929 8.454 1.00 0.00 C ATOM 272 CG ASP A 15 16.537 -6.434 9.749 1.00 0.00 C ATOM 273 OD1 ASP A 15 15.969 -6.723 10.823 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.585 -5.760 9.690 1.00 0.00 O ATOM 0 H ASP A 15 13.662 -7.960 8.845 1.00 0.00 H new ATOM 0 HA ASP A 15 14.632 -5.209 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.762 -8.005 8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.626 -6.763 7.637 1.00 0.00 H new ATOM 279 N THR A 16 15.352 -5.718 5.862 1.00 0.00 N ATOM 280 CA THR A 16 15.211 -5.655 4.408 1.00 0.00 C ATOM 281 C THR A 16 16.500 -5.225 3.710 1.00 0.00 C ATOM 282 O THR A 16 17.547 -5.067 4.337 1.00 0.00 O ATOM 283 CB THR A 16 14.087 -4.679 4.004 1.00 0.00 C ATOM 284 OG1 THR A 16 13.552 -5.045 2.727 1.00 0.00 O ATOM 285 CG2 THR A 16 14.593 -3.246 3.949 1.00 0.00 C ATOM 0 H THR A 16 16.237 -5.362 6.223 1.00 0.00 H new ATOM 0 HA THR A 16 14.965 -6.667 4.088 1.00 0.00 H new ATOM 0 HB THR A 16 13.305 -4.740 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.828 -5.959 2.507 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.777 -2.583 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.969 -2.955 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.396 -3.172 3.216 1.00 0.00 H new ATOM 293 N HIS A 17 16.393 -5.042 2.395 1.00 0.00 N ATOM 294 CA HIS A 17 17.512 -4.614 1.563 1.00 0.00 C ATOM 295 C HIS A 17 17.157 -3.294 0.874 1.00 0.00 C ATOM 296 O HIS A 17 16.416 -2.489 1.433 1.00 0.00 O ATOM 297 CB HIS A 17 17.835 -5.701 0.535 1.00 0.00 C ATOM 298 CG HIS A 17 18.656 -6.821 1.091 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.118 -8.035 1.465 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.985 -6.912 1.333 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.080 -8.822 1.915 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.222 -8.164 1.844 1.00 0.00 N ATOM 0 H HIS A 17 15.526 -5.187 1.877 1.00 0.00 H new ATOM 0 HA HIS A 17 18.396 -4.456 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.903 -6.105 0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.368 -5.251 -0.303 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.722 -6.142 1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.953 -9.831 2.279 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.133 -8.527 2.124 1.00 0.00 H new ATOM 311 N VAL A 18 17.678 -3.064 -0.329 1.00 0.00 N ATOM 312 CA VAL A 18 17.381 -1.829 -1.051 1.00 0.00 C ATOM 313 C VAL A 18 16.472 -2.084 -2.249 1.00 0.00 C ATOM 314 O VAL A 18 16.751 -2.943 -3.086 1.00 0.00 O ATOM 315 CB VAL A 18 18.660 -1.122 -1.532 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.319 0.219 -2.169 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.637 -0.943 -0.381 1.00 0.00 C ATOM 0 H VAL A 18 18.300 -3.707 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 18 16.866 -1.180 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 18 19.138 -1.746 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.235 0.706 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.660 0.059 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.818 0.852 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.535 -0.441 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.173 -0.340 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.904 -1.919 0.024 1.00 0.00 H new ATOM 327 N GLY A 19 15.385 -1.322 -2.319 1.00 0.00 N ATOM 328 CA GLY A 19 14.435 -1.453 -3.409 1.00 0.00 C ATOM 329 C GLY A 19 13.905 -2.861 -3.574 1.00 0.00 C ATOM 330 O GLY A 19 13.408 -3.216 -4.642 1.00 0.00 O ATOM 0 H GLY A 19 15.143 -0.608 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.599 -0.775 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.913 -1.141 -4.338 1.00 0.00 H new ATOM 334 N LYS A 20 14.013 -3.670 -2.526 1.00 0.00 N ATOM 335 CA LYS A 20 13.520 -5.038 -2.578 1.00 0.00 C ATOM 336 C LYS A 20 12.003 -5.031 -2.715 1.00 0.00 C ATOM 337 O LYS A 20 11.276 -5.124 -1.724 1.00 0.00 O ATOM 338 CB LYS A 20 13.943 -5.812 -1.329 1.00 0.00 C ATOM 339 CG LYS A 20 14.472 -7.199 -1.628 1.00 0.00 C ATOM 340 CD LYS A 20 15.912 -7.128 -2.083 1.00 0.00 C ATOM 341 CE LYS A 20 16.600 -8.480 -1.988 1.00 0.00 C ATOM 342 NZ LYS A 20 15.926 -9.509 -2.826 1.00 0.00 N ATOM 0 H LYS A 20 14.435 -3.403 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 20 13.953 -5.537 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.711 -5.245 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.090 -5.895 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.396 -7.824 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.863 -7.669 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.951 -6.772 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.451 -6.402 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.639 -8.381 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.611 -8.809 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.501 -10.376 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.989 -9.721 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.817 -9.150 -3.796 1.00 0.00 H new ATOM 356 N THR A 21 11.540 -4.905 -3.954 1.00 0.00 N ATOM 357 CA THR A 21 10.114 -4.858 -4.249 1.00 0.00 C ATOM 358 C THR A 21 9.349 -5.960 -3.527 1.00 0.00 C ATOM 359 O THR A 21 9.381 -7.123 -3.930 1.00 0.00 O ATOM 360 CB THR A 21 9.853 -4.977 -5.761 1.00 0.00 C ATOM 361 OG1 THR A 21 10.764 -4.139 -6.482 1.00 0.00 O ATOM 362 CG2 THR A 21 8.424 -4.577 -6.093 1.00 0.00 C ATOM 0 H THR A 21 12.139 -4.833 -4.777 1.00 0.00 H new ATOM 0 HA THR A 21 9.758 -3.891 -3.894 1.00 0.00 H new ATOM 0 HB THR A 21 10.004 -6.016 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.593 -4.221 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.261 -4.668 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.731 -5.231 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.255 -3.545 -5.787 1.00 0.00 H new ATOM 370 N THR A 22 8.664 -5.582 -2.452 1.00 0.00 N ATOM 371 CA THR A 22 7.879 -6.527 -1.672 1.00 0.00 C ATOM 372 C THR A 22 6.409 -6.443 -2.058 1.00 0.00 C ATOM 373 O THR A 22 5.662 -5.613 -1.538 1.00 0.00 O ATOM 374 CB THR A 22 8.035 -6.278 -0.158 1.00 0.00 C ATOM 375 OG1 THR A 22 9.398 -6.485 0.233 1.00 0.00 O ATOM 376 CG2 THR A 22 7.129 -7.197 0.651 1.00 0.00 C ATOM 0 H THR A 22 8.638 -4.624 -2.102 1.00 0.00 H new ATOM 0 HA THR A 22 8.254 -7.526 -1.894 1.00 0.00 H new ATOM 0 HB THR A 22 7.746 -5.247 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.991 -6.003 -0.380 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.263 -6.996 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.090 -7.018 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.385 -8.236 0.443 1.00 0.00 H new ATOM 384 N GLU A 23 6.014 -7.300 -2.990 1.00 0.00 N ATOM 385 CA GLU A 23 4.651 -7.349 -3.473 1.00 0.00 C ATOM 386 C GLU A 23 3.747 -8.075 -2.491 1.00 0.00 C ATOM 387 O GLU A 23 4.039 -9.195 -2.072 1.00 0.00 O ATOM 388 CB GLU A 23 4.625 -8.059 -4.819 1.00 0.00 C ATOM 389 CG GLU A 23 3.251 -8.092 -5.452 1.00 0.00 C ATOM 390 CD GLU A 23 3.282 -8.562 -6.892 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.510 -9.769 -7.118 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.078 -7.724 -7.795 1.00 0.00 O ATOM 0 H GLU A 23 6.635 -7.980 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 23 4.281 -6.329 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.318 -7.562 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.983 -9.081 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.604 -8.751 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.811 -7.096 -5.409 1.00 0.00 H new ATOM 399 N ILE A 24 2.647 -7.430 -2.128 1.00 0.00 N ATOM 400 CA ILE A 24 1.701 -8.021 -1.199 1.00 0.00 C ATOM 401 C ILE A 24 0.268 -7.881 -1.678 1.00 0.00 C ATOM 402 O ILE A 24 -0.316 -6.799 -1.621 1.00 0.00 O ATOM 403 CB ILE A 24 1.812 -7.382 0.190 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.249 -7.480 0.702 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.839 -8.047 1.154 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.438 -6.948 2.106 1.00 0.00 C ATOM 0 H ILE A 24 2.391 -6.501 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 24 1.955 -9.079 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 24 1.549 -6.327 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.564 -8.523 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.904 -6.931 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.927 -7.584 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.179 -7.924 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.072 -9.109 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.483 -7.052 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.156 -5.896 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.811 -7.512 2.796 1.00 0.00 H new ATOM 418 N HIS A 25 -0.286 -8.982 -2.159 1.00 0.00 N ATOM 419 CA HIS A 25 -1.664 -9.007 -2.613 1.00 0.00 C ATOM 420 C HIS A 25 -2.574 -9.309 -1.433 1.00 0.00 C ATOM 421 O HIS A 25 -2.617 -10.437 -0.942 1.00 0.00 O ATOM 422 CB HIS A 25 -1.863 -10.067 -3.691 1.00 0.00 C ATOM 423 CG HIS A 25 -0.653 -10.316 -4.534 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.074 -11.486 -4.479 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.050 -9.545 -5.469 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.071 -11.424 -5.342 1.00 0.00 C ATOM 427 NE2 HIS A 25 1.018 -10.257 -5.958 1.00 0.00 N ATOM 0 H HIS A 25 0.202 -9.874 -2.245 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.909 -8.033 -3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.160 -11.002 -3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.686 -9.762 -4.337 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.127 -12.277 -3.867 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.352 -8.554 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.806 -12.197 -5.515 1.00 0.00 H new ATOM 436 N LEU A 26 -3.296 -8.299 -0.979 1.00 0.00 N ATOM 437 CA LEU A 26 -4.191 -8.456 0.158 1.00 0.00 C ATOM 438 C LEU A 26 -5.633 -8.552 -0.306 1.00 0.00 C ATOM 439 O LEU A 26 -6.007 -7.967 -1.317 1.00 0.00 O ATOM 440 CB LEU A 26 -4.041 -7.275 1.115 1.00 0.00 C ATOM 441 CG LEU A 26 -2.623 -7.029 1.637 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.532 -5.661 2.295 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.215 -8.118 2.620 1.00 0.00 C ATOM 0 H LEU A 26 -3.281 -7.361 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.924 -9.377 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.385 -6.373 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.701 -7.434 1.968 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.936 -7.056 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.518 -5.500 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.781 -4.890 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.231 -5.611 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.204 -7.924 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.905 -8.123 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.244 -9.087 2.122 1.00 0.00 H new ATOM 455 N LYS A 27 -6.442 -9.287 0.437 1.00 0.00 N ATOM 456 CA LYS A 27 -7.846 -9.443 0.090 1.00 0.00 C ATOM 457 C LYS A 27 -8.706 -8.535 0.955 1.00 0.00 C ATOM 458 O LYS A 27 -8.271 -8.071 2.009 1.00 0.00 O ATOM 459 CB LYS A 27 -8.285 -10.896 0.249 1.00 0.00 C ATOM 460 CG LYS A 27 -7.275 -11.896 -0.293 1.00 0.00 C ATOM 461 CD LYS A 27 -7.820 -13.317 -0.268 1.00 0.00 C ATOM 462 CE LYS A 27 -8.984 -13.489 -1.232 1.00 0.00 C ATOM 463 NZ LYS A 27 -9.510 -14.882 -1.224 1.00 0.00 N ATOM 0 H LYS A 27 -6.154 -9.783 1.280 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.974 -9.159 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.458 -11.102 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.237 -11.038 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.009 -11.626 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.361 -11.847 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.025 -14.016 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.145 -13.565 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.783 -12.798 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.662 -13.228 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.302 -14.958 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.755 -15.540 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.841 -15.123 -0.268 1.00 0.00 H new ATOM 477 N GLY A 28 -9.927 -8.289 0.506 1.00 0.00 N ATOM 478 CA GLY A 28 -10.822 -7.424 1.247 1.00 0.00 C ATOM 479 C GLY A 28 -12.093 -7.112 0.484 1.00 0.00 C ATOM 480 O GLY A 28 -12.550 -7.913 -0.331 1.00 0.00 O ATOM 0 H GLY A 28 -10.314 -8.672 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.078 -7.898 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.308 -6.493 1.485 1.00 0.00 H new ATOM 484 N ASN A 29 -12.664 -5.940 0.750 1.00 0.00 N ATOM 485 CA ASN A 29 -13.891 -5.513 0.086 1.00 0.00 C ATOM 486 C ASN A 29 -14.236 -4.073 0.466 1.00 0.00 C ATOM 487 O ASN A 29 -14.673 -3.812 1.586 1.00 0.00 O ATOM 488 CB ASN A 29 -15.049 -6.440 0.462 1.00 0.00 C ATOM 489 CG ASN A 29 -16.348 -6.048 -0.215 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.346 -5.499 -1.317 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.467 -6.331 0.443 1.00 0.00 N ATOM 0 H ASN A 29 -12.295 -5.268 1.423 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.731 -5.562 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.795 -7.464 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.187 -6.424 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.372 -6.092 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.421 -6.787 1.354 1.00 0.00 H new ATOM 547 N TYR A 34 -14.134 0.011 4.805 1.00 0.00 N ATOM 548 CA TYR A 34 -12.735 0.361 5.032 1.00 0.00 C ATOM 549 C TYR A 34 -11.894 0.121 3.779 1.00 0.00 C ATOM 550 O TYR A 34 -12.414 -0.246 2.725 1.00 0.00 O ATOM 551 CB TYR A 34 -12.161 -0.444 6.201 1.00 0.00 C ATOM 552 CG TYR A 34 -12.865 -0.212 7.520 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.108 -0.780 7.772 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.286 0.569 8.516 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.755 -0.577 8.976 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.928 0.775 9.723 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.161 0.200 9.947 1.00 0.00 C ATOM 558 OH TYR A 34 -14.802 0.403 11.148 1.00 0.00 O ATOM 0 HA TYR A 34 -12.697 1.423 5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.212 -1.505 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.106 -0.194 6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.576 -1.390 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.320 1.021 8.343 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.721 -1.025 9.155 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.466 1.383 10.487 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.248 0.972 11.722 1.00 0.00 H new ATOM 568 N MET A 35 -10.589 0.336 3.910 1.00 0.00 N ATOM 569 CA MET A 35 -9.655 0.162 2.823 1.00 0.00 C ATOM 570 C MET A 35 -8.290 -0.232 3.366 1.00 0.00 C ATOM 571 O MET A 35 -7.930 0.120 4.490 1.00 0.00 O ATOM 572 CB MET A 35 -9.522 1.465 2.037 1.00 0.00 C ATOM 573 CG MET A 35 -8.150 1.653 1.415 1.00 0.00 C ATOM 574 SD MET A 35 -7.919 3.287 0.685 1.00 0.00 S ATOM 575 CE MET A 35 -9.184 3.281 -0.584 1.00 0.00 C ATOM 0 H MET A 35 -10.155 0.638 4.782 1.00 0.00 H new ATOM 0 HA MET A 35 -10.027 -0.625 2.167 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.276 1.485 1.250 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.731 2.304 2.700 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.387 1.491 2.177 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.999 0.894 0.647 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.744 4.215 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.716 3.180 -1.563 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.862 2.444 -0.418 1.00 0.00 H new ATOM 585 N TRP A 36 -7.535 -0.949 2.555 1.00 0.00 N ATOM 586 CA TRP A 36 -6.198 -1.366 2.927 1.00 0.00 C ATOM 587 C TRP A 36 -5.174 -0.444 2.279 1.00 0.00 C ATOM 588 O TRP A 36 -4.733 -0.688 1.155 1.00 0.00 O ATOM 589 CB TRP A 36 -5.951 -2.798 2.482 1.00 0.00 C ATOM 590 CG TRP A 36 -6.348 -3.829 3.493 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.496 -4.567 3.507 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.594 -4.237 4.635 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.499 -5.412 4.589 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.343 -5.228 5.298 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.359 -3.863 5.161 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.894 -5.847 6.461 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.913 -4.476 6.311 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.679 -5.460 6.952 1.00 0.00 C ATOM 0 H TRP A 36 -7.829 -1.256 1.628 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.101 -1.312 4.011 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.500 -2.980 1.558 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.892 -2.918 2.252 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.286 -4.497 2.774 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -8.242 -6.070 4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.762 -3.105 4.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.483 -6.604 6.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.957 -4.194 6.726 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.301 -5.922 7.852 1.00 0.00 H new ATOM 609 N THR A 37 -4.806 0.620 2.981 1.00 0.00 N ATOM 610 CA THR A 37 -3.848 1.580 2.447 1.00 0.00 C ATOM 611 C THR A 37 -2.825 1.998 3.511 1.00 0.00 C ATOM 612 O THR A 37 -2.871 1.513 4.641 1.00 0.00 O ATOM 613 CB THR A 37 -4.581 2.820 1.904 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.648 3.722 1.301 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.325 3.525 3.024 1.00 0.00 C ATOM 0 H THR A 37 -5.153 0.839 3.915 1.00 0.00 H new ATOM 0 HA THR A 37 -3.310 1.096 1.632 1.00 0.00 H new ATOM 0 HB THR A 37 -5.299 2.495 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.126 4.506 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.839 4.400 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.055 2.844 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.616 3.838 3.791 1.00 0.00 H new ATOM 623 N ARG A 38 -1.908 2.902 3.152 1.00 0.00 N ATOM 624 CA ARG A 38 -0.872 3.360 4.084 1.00 0.00 C ATOM 625 C ARG A 38 -1.387 4.478 4.995 1.00 0.00 C ATOM 626 O ARG A 38 -2.380 5.139 4.688 1.00 0.00 O ATOM 627 CB ARG A 38 0.369 3.829 3.309 1.00 0.00 C ATOM 628 CG ARG A 38 1.390 2.743 3.076 1.00 0.00 C ATOM 629 CD ARG A 38 2.465 3.183 2.094 1.00 0.00 C ATOM 630 NE ARG A 38 2.924 4.551 2.317 1.00 0.00 N ATOM 631 CZ ARG A 38 4.135 4.847 2.789 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.962 3.875 3.155 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.522 6.109 2.898 1.00 0.00 N ATOM 0 H ARG A 38 -1.862 3.330 2.227 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.598 2.517 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.054 4.231 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.840 4.646 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.853 2.469 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.892 1.851 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.315 2.505 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.077 3.098 1.079 1.00 0.00 H new ATOM 0 HE ARG A 38 2.287 5.318 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.671 2.901 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.888 4.103 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.892 6.861 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.450 6.328 3.260 1.00 0.00 H new ATOM 647 N VAL A 39 -0.696 4.678 6.122 1.00 0.00 N ATOM 648 CA VAL A 39 -1.075 5.703 7.099 1.00 0.00 C ATOM 649 C VAL A 39 -0.812 7.110 6.578 1.00 0.00 C ATOM 650 O VAL A 39 0.199 7.362 5.926 1.00 0.00 O ATOM 651 CB VAL A 39 -0.309 5.525 8.425 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.728 6.582 9.435 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.524 4.132 8.984 1.00 0.00 C ATOM 0 H VAL A 39 0.132 4.141 6.380 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.144 5.577 7.270 1.00 0.00 H new ATOM 0 HB VAL A 39 0.755 5.651 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.175 6.438 10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.513 7.573 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.797 6.494 9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.025 4.027 9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.587 3.973 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.165 3.393 8.268 1.00 0.00 H new ATOM 663 N GLY A 40 -1.719 8.029 6.895 1.00 0.00 N ATOM 664 CA GLY A 40 -1.568 9.403 6.453 1.00 0.00 C ATOM 665 C GLY A 40 -1.855 9.560 4.976 1.00 0.00 C ATOM 666 O GLY A 40 -1.721 10.651 4.421 1.00 0.00 O ATOM 0 H GLY A 40 -2.555 7.847 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.242 10.043 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.553 9.742 6.663 1.00 0.00 H new ATOM 670 N PHE A 41 -2.251 8.464 4.340 1.00 0.00 N ATOM 671 CA PHE A 41 -2.560 8.473 2.918 1.00 0.00 C ATOM 672 C PHE A 41 -3.962 7.949 2.672 1.00 0.00 C ATOM 673 O PHE A 41 -4.425 7.911 1.534 1.00 0.00 O ATOM 674 CB PHE A 41 -1.537 7.638 2.154 1.00 0.00 C ATOM 675 CG PHE A 41 -0.130 8.073 2.419 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.338 9.283 1.934 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.719 7.280 3.165 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.633 9.692 2.191 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.012 7.682 3.429 1.00 0.00 C ATOM 680 CZ PHE A 41 2.472 8.890 2.940 1.00 0.00 C ATOM 0 H PHE A 41 -2.366 7.556 4.790 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.513 9.501 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.648 6.590 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.741 7.708 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.316 9.913 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.366 6.333 3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.988 10.637 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.664 7.053 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.485 9.206 3.143 1.00 0.00 H new ATOM 690 N VAL A 42 -4.621 7.524 3.749 1.00 0.00 N ATOM 691 CA VAL A 42 -5.989 7.017 3.673 1.00 0.00 C ATOM 692 C VAL A 42 -6.801 7.761 2.611 1.00 0.00 C ATOM 693 O VAL A 42 -7.294 8.865 2.846 1.00 0.00 O ATOM 694 CB VAL A 42 -6.699 7.133 5.042 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.458 8.504 5.659 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.189 6.852 4.912 1.00 0.00 C ATOM 0 H VAL A 42 -4.226 7.521 4.689 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.927 5.966 3.392 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.274 6.380 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.966 8.564 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.388 8.655 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.847 9.276 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.663 6.941 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.636 7.571 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.337 5.843 4.527 1.00 0.00 H new ATOM 706 N GLY A 43 -6.925 7.148 1.436 1.00 0.00 N ATOM 707 CA GLY A 43 -7.668 7.761 0.348 1.00 0.00 C ATOM 708 C GLY A 43 -6.881 7.783 -0.950 1.00 0.00 C ATOM 709 O GLY A 43 -7.408 7.440 -2.009 1.00 0.00 O ATOM 0 H GLY A 43 -6.523 6.236 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.600 7.216 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.937 8.781 0.624 1.00 0.00 H new ATOM 763 N LEU A 47 0.640 6.586 -2.104 1.00 0.00 N ATOM 764 CA LEU A 47 1.038 6.497 -0.703 1.00 0.00 C ATOM 765 C LEU A 47 2.512 6.857 -0.524 1.00 0.00 C ATOM 766 O LEU A 47 2.848 7.805 0.183 1.00 0.00 O ATOM 767 CB LEU A 47 0.762 5.099 -0.154 1.00 0.00 C ATOM 768 CG LEU A 47 -0.513 4.430 -0.681 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.645 3.021 -0.127 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.739 5.261 -0.334 1.00 0.00 C ATOM 0 HA LEU A 47 0.443 7.217 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.613 4.459 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.699 5.159 0.933 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.442 4.366 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.556 2.562 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.217 2.428 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.691 3.061 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.633 4.768 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.816 5.362 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.648 6.249 -0.785 1.00 0.00 H new ATOM 782 N SER A 48 3.378 6.082 -1.164 1.00 0.00 N ATOM 783 CA SER A 48 4.823 6.295 -1.110 1.00 0.00 C ATOM 784 C SER A 48 5.200 7.761 -1.324 1.00 0.00 C ATOM 785 O SER A 48 4.362 8.587 -1.684 1.00 0.00 O ATOM 786 CB SER A 48 5.495 5.441 -2.176 1.00 0.00 C ATOM 787 OG SER A 48 5.260 5.960 -3.473 1.00 0.00 O ATOM 0 H SER A 48 3.100 5.285 -1.737 1.00 0.00 H new ATOM 0 HA SER A 48 5.164 6.009 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.568 5.398 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.120 4.419 -2.117 1.00 0.00 H new ATOM 0 HG SER A 48 5.704 5.393 -4.138 1.00 0.00 H new ATOM 793 N ASP A 49 6.482 8.069 -1.119 1.00 0.00 N ATOM 794 CA ASP A 49 6.981 9.431 -1.283 1.00 0.00 C ATOM 795 C ASP A 49 8.479 9.442 -1.566 1.00 0.00 C ATOM 796 O ASP A 49 8.903 9.481 -2.722 1.00 0.00 O ATOM 797 CB ASP A 49 6.692 10.267 -0.033 1.00 0.00 C ATOM 798 CG ASP A 49 5.231 10.651 0.087 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.840 11.687 -0.492 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.477 9.918 0.760 1.00 0.00 O ATOM 0 H ASP A 49 7.192 7.392 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 49 6.462 9.867 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.990 9.705 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.301 11.171 -0.056 1.00 0.00 H new ATOM 805 N GLU A 50 9.274 9.407 -0.502 1.00 0.00 N ATOM 806 CA GLU A 50 10.723 9.428 -0.624 1.00 0.00 C ATOM 807 C GLU A 50 11.366 8.302 0.182 1.00 0.00 C ATOM 808 O GLU A 50 12.389 7.746 -0.215 1.00 0.00 O ATOM 809 CB GLU A 50 11.247 10.777 -0.139 1.00 0.00 C ATOM 810 CG GLU A 50 10.982 11.034 1.336 1.00 0.00 C ATOM 811 CD GLU A 50 11.545 12.359 1.807 1.00 0.00 C ATOM 812 OE1 GLU A 50 12.713 12.385 2.249 1.00 0.00 O ATOM 813 OE2 GLU A 50 10.818 13.373 1.737 1.00 0.00 O ATOM 0 H GLU A 50 8.935 9.364 0.459 1.00 0.00 H new ATOM 0 HA GLU A 50 10.984 9.279 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.320 10.828 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.785 11.570 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.907 11.015 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.419 10.228 1.926 1.00 0.00 H new ATOM 820 N ILE A 51 10.757 7.978 1.316 1.00 0.00 N ATOM 821 CA ILE A 51 11.265 6.928 2.190 1.00 0.00 C ATOM 822 C ILE A 51 11.113 5.557 1.550 1.00 0.00 C ATOM 823 O ILE A 51 12.083 4.968 1.079 1.00 0.00 O ATOM 824 CB ILE A 51 10.524 6.933 3.537 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.477 8.351 4.104 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.189 5.979 4.519 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.832 8.892 4.508 1.00 0.00 C ATOM 0 H ILE A 51 9.907 8.430 1.653 1.00 0.00 H new ATOM 0 HA ILE A 51 12.323 7.130 2.354 1.00 0.00 H new ATOM 0 HB ILE A 51 9.502 6.590 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.038 9.016 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.817 8.364 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.650 5.997 5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.173 4.968 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.221 6.288 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.718 9.902 4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.266 8.251 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.489 8.913 3.639 1.00 0.00 H new ATOM 839 N LEU A 52 9.892 5.043 1.566 1.00 0.00 N ATOM 840 CA LEU A 52 9.600 3.744 0.973 1.00 0.00 C ATOM 841 C LEU A 52 8.866 3.893 -0.351 1.00 0.00 C ATOM 842 O LEU A 52 7.776 4.459 -0.395 1.00 0.00 O ATOM 843 CB LEU A 52 8.743 2.907 1.923 1.00 0.00 C ATOM 844 CG LEU A 52 9.517 1.962 2.837 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.616 1.432 3.940 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.115 0.816 2.036 1.00 0.00 C ATOM 0 H LEU A 52 9.085 5.506 1.984 1.00 0.00 H new ATOM 0 HA LEU A 52 10.552 3.245 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.151 3.581 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.041 2.320 1.331 1.00 0.00 H new ATOM 0 HG LEU A 52 10.332 2.519 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.184 0.760 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.237 2.265 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.780 0.891 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.663 0.152 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.316 0.259 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.794 1.214 1.283 1.00 0.00 H new ATOM 858 N GLU A 53 9.479 3.411 -1.434 1.00 0.00 N ATOM 859 CA GLU A 53 8.844 3.451 -2.745 1.00 0.00 C ATOM 860 C GLU A 53 7.676 2.475 -2.781 1.00 0.00 C ATOM 861 O GLU A 53 7.704 1.474 -3.498 1.00 0.00 O ATOM 862 CB GLU A 53 9.851 3.097 -3.837 1.00 0.00 C ATOM 863 CG GLU A 53 10.309 4.293 -4.644 1.00 0.00 C ATOM 864 CD GLU A 53 9.580 4.421 -5.967 1.00 0.00 C ATOM 865 OE1 GLU A 53 10.061 3.845 -6.967 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.531 5.096 -6.004 1.00 0.00 O ATOM 0 H GLU A 53 10.409 2.992 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 53 8.476 4.461 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.719 2.623 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.404 2.364 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.155 5.200 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.380 4.212 -4.830 1.00 0.00 H new ATOM 873 N VAL A 54 6.653 2.771 -1.991 1.00 0.00 N ATOM 874 CA VAL A 54 5.478 1.925 -1.907 1.00 0.00 C ATOM 875 C VAL A 54 4.571 2.109 -3.110 1.00 0.00 C ATOM 876 O VAL A 54 3.611 2.879 -3.063 1.00 0.00 O ATOM 877 CB VAL A 54 4.661 2.211 -0.638 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.577 1.161 -0.467 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.564 2.274 0.583 1.00 0.00 C ATOM 0 H VAL A 54 6.617 3.599 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 54 5.846 0.899 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 54 4.181 3.184 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.004 1.373 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.913 1.179 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.035 0.176 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.963 2.478 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.079 1.321 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.298 3.069 0.452 1.00 0.00 H new ATOM 889 N VAL A 55 4.879 1.411 -4.189 1.00 0.00 N ATOM 890 CA VAL A 55 4.063 1.486 -5.383 1.00 0.00 C ATOM 891 C VAL A 55 2.812 0.652 -5.182 1.00 0.00 C ATOM 892 O VAL A 55 2.723 -0.490 -5.629 1.00 0.00 O ATOM 893 CB VAL A 55 4.807 0.991 -6.625 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.972 1.244 -7.868 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.169 1.659 -6.734 1.00 0.00 C ATOM 0 H VAL A 55 5.685 0.789 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 55 3.808 2.533 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 55 4.969 -0.083 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.510 0.888 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.024 0.713 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.782 2.313 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.683 1.294 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.040 2.739 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.762 1.423 -5.850 1.00 0.00 H new ATOM 905 N CYS A 56 1.858 1.240 -4.492 1.00 0.00 N ATOM 906 CA CYS A 56 0.607 0.570 -4.179 1.00 0.00 C ATOM 907 C CYS A 56 -0.431 0.789 -5.267 1.00 0.00 C ATOM 908 O CYS A 56 -0.561 1.887 -5.811 1.00 0.00 O ATOM 909 CB CYS A 56 0.064 1.063 -2.839 1.00 0.00 C ATOM 910 SG CYS A 56 -1.537 0.354 -2.385 1.00 0.00 S ATOM 0 H CYS A 56 1.924 2.192 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 56 0.812 -0.499 -4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.787 0.829 -2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.028 2.149 -2.874 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.540 0.066 -1.117 1.00 0.00 H new ATOM 916 N LYS A 57 -1.167 -0.268 -5.574 1.00 0.00 N ATOM 917 CA LYS A 57 -2.209 -0.212 -6.581 1.00 0.00 C ATOM 918 C LYS A 57 -3.475 -0.865 -6.054 1.00 0.00 C ATOM 919 O LYS A 57 -3.561 -2.091 -5.949 1.00 0.00 O ATOM 920 CB LYS A 57 -1.767 -0.912 -7.859 1.00 0.00 C ATOM 921 CG LYS A 57 -0.357 -0.553 -8.300 1.00 0.00 C ATOM 922 CD LYS A 57 0.028 -1.279 -9.579 1.00 0.00 C ATOM 923 CE LYS A 57 1.435 -0.916 -10.024 1.00 0.00 C ATOM 924 NZ LYS A 57 1.823 -1.625 -11.274 1.00 0.00 N ATOM 0 H LYS A 57 -1.058 -1.182 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.407 0.835 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.828 -1.990 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.463 -0.660 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.286 0.523 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.349 -0.808 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.038 -2.356 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.680 -1.028 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.499 0.160 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.141 -1.164 -9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.789 -1.350 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.787 -2.652 -11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.164 -1.369 -12.037 1.00 0.00 H new ATOM 938 N TYR A 58 -4.445 -0.038 -5.714 1.00 0.00 N ATOM 939 CA TYR A 58 -5.712 -0.523 -5.197 1.00 0.00 C ATOM 940 C TYR A 58 -6.635 -0.891 -6.354 1.00 0.00 C ATOM 941 O TYR A 58 -7.041 -0.031 -7.136 1.00 0.00 O ATOM 942 CB TYR A 58 -6.368 0.536 -4.293 1.00 0.00 C ATOM 943 CG TYR A 58 -7.574 0.044 -3.514 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.541 -0.762 -4.113 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.754 0.398 -2.178 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.641 -1.206 -3.416 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.862 -0.043 -1.475 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.799 -0.844 -2.097 1.00 0.00 C ATOM 949 OH TYR A 58 -10.900 -1.279 -1.396 1.00 0.00 O ATOM 0 H TYR A 58 -4.380 0.977 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.531 -1.414 -4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.623 0.905 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.671 1.383 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.424 -1.045 -5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.022 1.022 -1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.375 -1.834 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.993 0.239 -0.441 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.860 -0.936 -0.479 1.00 0.00 H new ATOM 959 N THR A 59 -6.960 -2.175 -6.454 1.00 0.00 N ATOM 960 CA THR A 59 -7.839 -2.664 -7.508 1.00 0.00 C ATOM 961 C THR A 59 -9.116 -3.252 -6.916 1.00 0.00 C ATOM 962 O THR A 59 -9.062 -4.199 -6.135 1.00 0.00 O ATOM 963 CB THR A 59 -7.146 -3.740 -8.363 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.870 -3.265 -8.811 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.002 -4.111 -9.566 1.00 0.00 C ATOM 0 H THR A 59 -6.627 -2.897 -5.816 1.00 0.00 H new ATOM 0 HA THR A 59 -8.085 -1.811 -8.141 1.00 0.00 H new ATOM 0 HB THR A 59 -7.008 -4.628 -7.746 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.435 -3.956 -9.353 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.491 -4.873 -10.155 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.961 -4.499 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.167 -3.227 -10.182 1.00 0.00 H new ATOM 973 N PRO A 60 -10.284 -2.693 -7.275 1.00 0.00 N ATOM 974 CA PRO A 60 -11.569 -3.153 -6.785 1.00 0.00 C ATOM 975 C PRO A 60 -12.264 -4.077 -7.781 1.00 0.00 C ATOM 976 O PRO A 60 -13.474 -3.987 -7.983 1.00 0.00 O ATOM 977 CB PRO A 60 -12.323 -1.837 -6.655 1.00 0.00 C ATOM 978 CG PRO A 60 -11.809 -0.992 -7.782 1.00 0.00 C ATOM 979 CD PRO A 60 -10.462 -1.548 -8.178 1.00 0.00 C ATOM 0 HA PRO A 60 -11.503 -3.737 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.400 -1.988 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.136 -1.367 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.498 -1.016 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.720 0.049 -7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.446 -1.855 -9.224 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.670 -0.810 -8.051 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.444 -6.452 -4.730 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.398 -6.655 -3.743 1.00 0.00 C ATOM 1137 C ILE A 73 -6.557 -5.398 -3.578 1.00 0.00 C ATOM 1138 O ILE A 73 -6.954 -4.311 -3.998 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.461 -7.823 -4.106 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.779 -7.589 -5.449 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.200 -9.148 -4.100 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.431 -8.270 -5.540 1.00 0.00 C ATOM 0 HA ILE A 73 -7.908 -6.895 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.687 -7.869 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.423 -7.956 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.653 -6.518 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.510 -9.951 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.611 -9.331 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.010 -9.116 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.988 -8.072 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.775 -7.885 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.557 -9.345 -5.410 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.392 -5.557 -2.960 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.490 -4.442 -2.729 1.00 0.00 C ATOM 1156 C TYR A 74 -3.045 -4.861 -2.998 1.00 0.00 C ATOM 1157 O TYR A 74 -2.405 -5.478 -2.148 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.640 -3.949 -1.287 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.056 -4.052 -0.754 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.537 -5.246 -0.225 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.913 -2.961 -0.778 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.824 -5.347 0.261 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.204 -3.059 -0.290 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.652 -4.251 0.227 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.936 -4.348 0.712 1.00 0.00 O ATOM 0 H TYR A 74 -5.052 -6.453 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.745 -3.632 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.976 -4.526 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.314 -2.910 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.890 -6.110 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.567 -2.022 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.179 -6.283 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.859 -2.200 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.388 -3.484 0.615 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.542 -4.532 -4.188 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.177 -4.876 -4.567 1.00 0.00 C ATOM 1177 C VAL A 75 -0.215 -3.788 -4.113 1.00 0.00 C ATOM 1178 O VAL A 75 -0.160 -2.709 -4.701 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.042 -5.077 -6.089 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.395 -5.405 -6.461 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -1.980 -6.171 -6.569 1.00 0.00 C ATOM 0 H VAL A 75 -3.063 -4.027 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.929 -5.816 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.320 -4.146 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.469 -5.543 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.046 -4.586 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.702 -6.321 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.870 -6.298 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.735 -7.107 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.009 -5.895 -6.340 1.00 0.00 H new ATOM 1191 N VAL A 76 0.547 -4.081 -3.070 1.00 0.00 N ATOM 1192 CA VAL A 76 1.483 -3.109 -2.516 1.00 0.00 C ATOM 1193 C VAL A 76 2.949 -3.485 -2.740 1.00 0.00 C ATOM 1194 O VAL A 76 3.443 -4.458 -2.169 1.00 0.00 O ATOM 1195 CB VAL A 76 1.253 -2.938 -1.003 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.149 -1.842 -0.447 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.211 -2.642 -0.715 1.00 0.00 C ATOM 0 H VAL A 76 0.537 -4.981 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 76 1.289 -2.177 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 76 1.513 -3.873 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.972 -1.736 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.193 -2.104 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.925 -0.900 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.354 -2.524 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.503 -1.723 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.827 -3.466 -1.075 1.00 0.00 H new ATOM 1207 N LEU A 77 3.631 -2.716 -3.594 1.00 0.00 N ATOM 1208 CA LEU A 77 5.047 -2.920 -3.857 1.00 0.00 C ATOM 1209 C LEU A 77 5.874 -1.993 -2.980 1.00 0.00 C ATOM 1210 O LEU A 77 5.947 -0.795 -3.237 1.00 0.00 O ATOM 1211 CB LEU A 77 5.361 -2.633 -5.322 1.00 0.00 C ATOM 1212 CG LEU A 77 4.697 -3.573 -6.325 1.00 0.00 C ATOM 1213 CD1 LEU A 77 5.119 -5.009 -6.065 1.00 0.00 C ATOM 1214 CD2 LEU A 77 3.183 -3.442 -6.290 1.00 0.00 C ATOM 0 H LEU A 77 3.216 -1.943 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 77 5.295 -3.958 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.056 -1.611 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.441 -2.682 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 77 5.029 -3.288 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.637 -5.667 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.201 -5.094 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.822 -5.299 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.742 -4.125 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.819 -3.688 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.901 -2.418 -6.536 1.00 0.00 H new ATOM 1226 N VAL A 78 6.501 -2.540 -1.953 1.00 0.00 N ATOM 1227 CA VAL A 78 7.302 -1.724 -1.051 1.00 0.00 C ATOM 1228 C VAL A 78 8.786 -1.821 -1.390 1.00 0.00 C ATOM 1229 O VAL A 78 9.435 -2.830 -1.116 1.00 0.00 O ATOM 1230 CB VAL A 78 7.079 -2.121 0.421 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.760 -0.890 1.266 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.969 -3.154 0.535 1.00 0.00 C ATOM 0 H VAL A 78 6.474 -3.533 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 78 6.976 -0.692 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 78 7.999 -2.566 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.606 -1.190 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.591 -0.186 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.856 -0.413 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.827 -3.421 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.043 -2.738 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.240 -4.044 -0.033 1.00 0.00 H new ATOM 1242 N LYS A 79 9.311 -0.757 -1.997 1.00 0.00 N ATOM 1243 CA LYS A 79 10.717 -0.704 -2.389 1.00 0.00 C ATOM 1244 C LYS A 79 11.490 0.304 -1.537 1.00 0.00 C ATOM 1245 O LYS A 79 11.385 1.509 -1.753 1.00 0.00 O ATOM 1246 CB LYS A 79 10.834 -0.324 -3.866 1.00 0.00 C ATOM 1247 CG LYS A 79 10.640 -1.492 -4.821 1.00 0.00 C ATOM 1248 CD LYS A 79 10.728 -1.046 -6.272 1.00 0.00 C ATOM 1249 CE LYS A 79 9.519 -0.218 -6.678 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.251 -0.990 -6.550 1.00 0.00 N ATOM 0 H LYS A 79 8.780 0.083 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 79 11.149 -1.692 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.095 0.444 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.816 0.116 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.397 -2.252 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.670 -1.954 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.636 -0.461 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.804 -1.921 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.465 0.675 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.638 0.118 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.488 -0.490 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.376 -1.935 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.002 -1.084 -5.545 1.00 0.00 H new ATOM 1264 N PRO A 80 12.282 -0.169 -0.557 1.00 0.00 N ATOM 1265 CA PRO A 80 13.068 0.714 0.312 1.00 0.00 C ATOM 1266 C PRO A 80 13.975 1.649 -0.482 1.00 0.00 C ATOM 1267 O PRO A 80 14.938 1.212 -1.111 1.00 0.00 O ATOM 1268 CB PRO A 80 13.902 -0.247 1.168 1.00 0.00 C ATOM 1269 CG PRO A 80 13.790 -1.581 0.507 1.00 0.00 C ATOM 1270 CD PRO A 80 12.472 -1.585 -0.211 1.00 0.00 C ATOM 0 HA PRO A 80 12.427 1.369 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.941 0.077 1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.528 -0.285 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.613 -1.740 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.835 -2.384 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.497 -2.218 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.668 -1.957 0.423 1.00 0.00 H new ATOM 1278 N ARG A 81 13.657 2.940 -0.448 1.00 0.00 N ATOM 1279 CA ARG A 81 14.437 3.941 -1.168 1.00 0.00 C ATOM 1280 C ARG A 81 15.689 4.342 -0.393 1.00 0.00 C ATOM 1281 O ARG A 81 16.805 4.245 -0.903 1.00 0.00 O ATOM 1282 CB ARG A 81 13.591 5.184 -1.436 1.00 0.00 C ATOM 1283 CG ARG A 81 13.143 5.322 -2.878 1.00 0.00 C ATOM 1284 CD ARG A 81 12.239 6.527 -3.056 1.00 0.00 C ATOM 1285 NE ARG A 81 11.943 6.789 -4.462 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.505 7.959 -4.919 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.317 8.972 -4.085 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.256 8.116 -6.212 1.00 0.00 N ATOM 0 H ARG A 81 12.864 3.317 0.071 1.00 0.00 H new ATOM 0 HA ARG A 81 14.744 3.494 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.711 5.158 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.164 6.069 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.015 5.419 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.616 4.419 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.307 6.364 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.714 7.404 -2.616 1.00 0.00 H new ATOM 0 HE ARG A 81 12.080 6.032 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.508 8.856 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.981 9.868 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.400 7.339 -6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.920 9.014 -6.561 1.00 0.00 H new ATOM 1302 N LYS A 82 15.492 4.793 0.843 1.00 0.00 N ATOM 1303 CA LYS A 82 16.599 5.232 1.685 1.00 0.00 C ATOM 1304 C LYS A 82 17.022 4.141 2.662 1.00 0.00 C ATOM 1305 O LYS A 82 16.273 3.202 2.927 1.00 0.00 O ATOM 1306 CB LYS A 82 16.204 6.491 2.462 1.00 0.00 C ATOM 1307 CG LYS A 82 15.682 7.613 1.580 1.00 0.00 C ATOM 1308 CD LYS A 82 15.447 8.884 2.380 1.00 0.00 C ATOM 1309 CE LYS A 82 14.959 10.018 1.493 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.934 10.337 0.414 1.00 0.00 N ATOM 0 H LYS A 82 14.575 4.864 1.283 1.00 0.00 H new ATOM 0 HA LYS A 82 17.444 5.454 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.440 6.231 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.070 6.851 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.396 7.811 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.751 7.302 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.714 8.692 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.372 9.180 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.002 9.745 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.787 10.906 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.699 11.259 -0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.894 10.373 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.892 9.602 -0.321 1.00 0.00 H new ATOM 1324 N ARG A 83 18.236 4.272 3.191 1.00 0.00 N ATOM 1325 CA ARG A 83 18.763 3.311 4.149 1.00 0.00 C ATOM 1326 C ARG A 83 18.505 3.781 5.577 1.00 0.00 C ATOM 1327 O ARG A 83 18.606 4.972 5.875 1.00 0.00 O ATOM 1328 CB ARG A 83 20.263 3.127 3.928 1.00 0.00 C ATOM 1329 CG ARG A 83 20.648 3.029 2.462 1.00 0.00 C ATOM 1330 CD ARG A 83 22.128 3.285 2.258 1.00 0.00 C ATOM 1331 NE ARG A 83 22.540 4.576 2.805 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.802 4.993 2.842 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.774 4.223 2.368 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.095 6.181 3.353 1.00 0.00 N ATOM 0 H ARG A 83 18.873 5.037 2.970 1.00 0.00 H new ATOM 0 HA ARG A 83 18.256 2.358 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.795 3.964 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.591 2.224 4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.393 2.039 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.070 3.750 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.702 2.490 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.358 3.252 1.193 1.00 0.00 H new ATOM 0 HE ARG A 83 21.819 5.192 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.554 3.308 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.741 4.546 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.352 6.776 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.064 6.499 3.381 1.00 0.00 H new ATOM 1348 N GLY A 84 18.172 2.843 6.455 1.00 0.00 N ATOM 1349 CA GLY A 84 17.906 3.185 7.840 1.00 0.00 C ATOM 1350 C GLY A 84 16.777 2.367 8.435 1.00 0.00 C ATOM 1351 O GLY A 84 16.880 1.145 8.547 1.00 0.00 O ATOM 0 H GLY A 84 18.081 1.852 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.810 3.032 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.657 4.244 7.908 1.00 0.00 H new ATOM 1355 N HIS A 85 15.696 3.041 8.816 1.00 0.00 N ATOM 1356 CA HIS A 85 14.544 2.368 9.404 1.00 0.00 C ATOM 1357 C HIS A 85 13.253 2.782 8.705 1.00 0.00 C ATOM 1358 O HIS A 85 12.702 3.850 8.977 1.00 0.00 O ATOM 1359 CB HIS A 85 14.450 2.680 10.899 1.00 0.00 C ATOM 1360 CG HIS A 85 15.654 2.251 11.677 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.640 3.126 12.084 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.030 1.030 12.129 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.569 2.463 12.749 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.222 1.190 12.791 1.00 0.00 N ATOM 0 H HIS A 85 15.594 4.052 8.728 1.00 0.00 H new ATOM 0 HA HIS A 85 14.679 1.294 9.272 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.307 3.753 11.030 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.568 2.188 11.310 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.492 0.103 11.994 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.461 2.890 13.184 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.754 0.446 13.242 1.00 0.00 H new ATOM 1373 N HIS A 86 12.779 1.931 7.801 1.00 0.00 N ATOM 1374 CA HIS A 86 11.550 2.202 7.064 1.00 0.00 C ATOM 1375 C HIS A 86 10.427 1.290 7.546 1.00 0.00 C ATOM 1376 O HIS A 86 10.677 0.294 8.226 1.00 0.00 O ATOM 1377 CB HIS A 86 11.775 2.010 5.564 1.00 0.00 C ATOM 1378 CG HIS A 86 12.760 2.972 4.978 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.590 3.762 5.745 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.041 3.277 3.688 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.337 4.512 4.954 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.022 4.236 3.702 1.00 0.00 N ATOM 0 H HIS A 86 13.228 1.047 7.561 1.00 0.00 H new ATOM 0 HA HIS A 86 11.262 3.237 7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.123 0.993 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 86 10.822 2.117 5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.579 2.846 2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.078 5.228 5.277 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.441 4.667 2.878 1.00 0.00 H new ATOM 1391 N THR A 87 9.190 1.631 7.193 1.00 0.00 N ATOM 1392 CA THR A 87 8.041 0.834 7.607 1.00 0.00 C ATOM 1393 C THR A 87 6.837 1.050 6.694 1.00 0.00 C ATOM 1394 O THR A 87 6.654 2.128 6.130 1.00 0.00 O ATOM 1395 CB THR A 87 7.630 1.162 9.054 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.719 0.901 9.947 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.421 0.342 9.470 1.00 0.00 C ATOM 0 H THR A 87 8.960 2.447 6.626 1.00 0.00 H new ATOM 0 HA THR A 87 8.351 -0.209 7.540 1.00 0.00 H new ATOM 0 HB THR A 87 7.369 2.219 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.634 -0.005 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.148 0.590 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.584 0.566 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.661 -0.719 9.405 1.00 0.00 H new ATOM 1405 N LEU A 88 6.016 0.010 6.565 1.00 0.00 N ATOM 1406 CA LEU A 88 4.819 0.065 5.737 1.00 0.00 C ATOM 1407 C LEU A 88 3.587 -0.271 6.568 1.00 0.00 C ATOM 1408 O LEU A 88 3.167 -1.423 6.629 1.00 0.00 O ATOM 1409 CB LEU A 88 4.932 -0.918 4.573 1.00 0.00 C ATOM 1410 CG LEU A 88 3.659 -1.082 3.741 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.498 0.087 2.786 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.684 -2.396 2.980 1.00 0.00 C ATOM 0 H LEU A 88 6.162 -0.887 7.029 1.00 0.00 H new ATOM 0 HA LEU A 88 4.721 1.076 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.738 -0.590 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.219 -1.893 4.967 1.00 0.00 H new ATOM 0 HG LEU A 88 2.804 -1.096 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.588 -0.044 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.434 1.015 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.357 0.131 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.770 -2.495 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.546 -2.414 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.754 -3.224 3.686 1.00 0.00 H new ATOM 1424 N GLU A 89 3.006 0.735 7.203 1.00 0.00 N ATOM 1425 CA GLU A 89 1.831 0.513 8.034 1.00 0.00 C ATOM 1426 C GLU A 89 0.557 0.582 7.208 1.00 0.00 C ATOM 1427 O GLU A 89 0.007 1.660 6.982 1.00 0.00 O ATOM 1428 CB GLU A 89 1.764 1.530 9.171 1.00 0.00 C ATOM 1429 CG GLU A 89 3.072 2.259 9.416 1.00 0.00 C ATOM 1430 CD GLU A 89 3.000 3.209 10.596 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.637 4.386 10.388 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.307 2.776 11.726 1.00 0.00 O ATOM 0 H GLU A 89 3.324 1.703 7.161 1.00 0.00 H new ATOM 0 HA GLU A 89 1.918 -0.486 8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.987 2.261 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.466 1.019 10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.863 1.529 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.345 2.818 8.521 1.00 0.00 H new ATOM 1439 N LEU A 90 0.100 -0.573 6.752 1.00 0.00 N ATOM 1440 CA LEU A 90 -1.122 -0.644 5.964 1.00 0.00 C ATOM 1441 C LEU A 90 -2.316 -0.875 6.875 1.00 0.00 C ATOM 1442 O LEU A 90 -2.581 -1.999 7.292 1.00 0.00 O ATOM 1443 CB LEU A 90 -1.026 -1.751 4.915 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.067 -1.462 3.760 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.027 -2.664 2.834 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.514 -0.223 2.993 1.00 0.00 C ATOM 0 H LEU A 90 0.554 -1.472 6.913 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.255 0.304 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.712 -2.672 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.020 -1.931 4.506 1.00 0.00 H new ATOM 0 HG LEU A 90 0.924 -1.270 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.714 -2.441 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.394 -3.525 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.959 -2.888 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.180 -0.032 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.514 -0.385 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.528 0.635 3.665 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.028 0.201 7.183 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.185 0.133 8.067 1.00 0.00 C ATOM 1460 C VAL A 91 -5.486 -0.057 7.296 1.00 0.00 C ATOM 1461 O VAL A 91 -5.610 0.363 6.140 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.333 1.422 8.909 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.318 1.111 10.397 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.253 2.432 8.557 1.00 0.00 C ATOM 0 H VAL A 91 -2.823 1.136 6.832 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.008 -0.727 8.713 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.300 1.864 8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.424 2.036 10.963 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.144 0.442 10.637 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.375 0.631 10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.381 3.328 9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.272 1.999 8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.330 2.694 7.502 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.445 -0.709 7.947 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.766 -0.911 7.375 1.00 0.00 C ATOM 1476 C TYR A 92 -8.627 0.274 7.796 1.00 0.00 C ATOM 1477 O TYR A 92 -9.439 0.172 8.712 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.367 -2.229 7.877 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.482 -2.783 7.015 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.401 -2.756 5.628 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.614 -3.345 7.594 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.416 -3.270 4.844 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.632 -3.864 6.815 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.528 -3.824 5.442 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.539 -4.339 4.663 1.00 0.00 O ATOM 0 H TYR A 92 -6.327 -1.108 8.878 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.713 -0.973 6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.573 -2.973 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.748 -2.078 8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.530 -2.326 5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.700 -3.377 8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.339 -3.238 3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.504 -4.298 7.281 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.249 -4.692 5.239 1.00 0.00 H new ATOM 1495 N THR A 93 -8.413 1.404 7.128 1.00 0.00 N ATOM 1496 CA THR A 93 -9.101 2.653 7.458 1.00 0.00 C ATOM 1497 C THR A 93 -10.301 2.942 6.566 1.00 0.00 C ATOM 1498 O THR A 93 -10.540 2.256 5.582 1.00 0.00 O ATOM 1499 CB THR A 93 -8.126 3.833 7.344 1.00 0.00 C ATOM 1500 OG1 THR A 93 -8.827 5.075 7.487 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.404 3.804 6.005 1.00 0.00 C ATOM 0 H THR A 93 -7.762 1.482 6.347 1.00 0.00 H new ATOM 0 HA THR A 93 -9.466 2.532 8.478 1.00 0.00 H new ATOM 0 HB THR A 93 -7.390 3.744 8.143 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.247 5.314 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.717 4.648 5.943 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.844 2.873 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.133 3.869 5.197 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.045 3.982 6.929 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.215 4.402 6.171 1.00 0.00 C ATOM 1511 C ARG A 94 -11.903 5.657 5.360 1.00 0.00 C ATOM 1512 O ARG A 94 -11.970 6.768 5.885 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.388 4.688 7.110 1.00 0.00 C ATOM 1514 CG ARG A 94 -13.771 3.513 7.990 1.00 0.00 C ATOM 1515 CD ARG A 94 -14.974 3.835 8.861 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.159 4.144 8.065 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.367 4.340 8.586 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -17.548 4.260 9.897 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.395 4.614 7.795 1.00 0.00 N ATOM 0 H ARG A 94 -10.854 4.553 7.752 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.486 3.592 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.134 5.537 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.253 4.982 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.994 2.648 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.926 3.240 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.186 2.988 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.739 4.682 9.505 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.054 4.213 7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.760 4.048 10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.475 4.411 10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.260 4.675 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.321 4.764 8.196 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.536 5.499 4.075 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.222 6.632 3.198 1.00 0.00 C ATOM 1535 C PRO A 95 -12.224 7.775 3.333 1.00 0.00 C ATOM 1536 O PRO A 95 -11.888 8.938 3.101 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.293 6.004 1.809 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.836 4.604 2.029 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.377 4.207 3.376 1.00 0.00 C ATOM 0 HA PRO A 95 -10.260 7.088 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.306 6.036 1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.652 6.528 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.209 3.943 1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.748 4.539 2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.326 3.678 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.691 3.545 3.905 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.452 7.438 3.709 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.502 8.426 3.881 1.00 0.00 C ATOM 1549 C PHE A 96 -14.457 9.051 5.277 1.00 0.00 C ATOM 1550 O PHE A 96 -14.711 10.244 5.438 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.866 7.781 3.643 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.797 6.405 3.039 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.490 6.240 1.698 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.038 5.282 3.811 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.425 4.978 1.138 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.975 4.017 3.258 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.667 3.864 1.919 1.00 0.00 C ATOM 0 H PHE A 96 -13.743 6.480 3.901 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.341 9.220 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.399 7.723 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.451 8.425 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.299 7.107 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.278 5.395 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.185 4.863 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.166 3.149 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.616 2.877 1.485 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.134 8.239 6.283 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.068 8.720 7.662 1.00 0.00 C ATOM 1569 C GLU A 97 -12.624 8.914 8.125 1.00 0.00 C ATOM 1570 O GLU A 97 -12.041 9.983 7.940 1.00 0.00 O ATOM 1571 CB GLU A 97 -14.791 7.749 8.600 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.272 7.594 8.293 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.033 8.899 8.416 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.519 9.200 9.526 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.144 9.620 7.402 1.00 0.00 O ATOM 0 H GLU A 97 -13.915 7.249 6.170 1.00 0.00 H new ATOM 0 HA GLU A 97 -14.564 9.690 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.312 6.772 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.676 8.096 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.391 7.202 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.705 6.860 8.972 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.053 7.872 8.726 1.00 0.00 N ATOM 1583 CA GLY A 98 -10.688 7.946 9.219 1.00 0.00 C ATOM 1584 C GLY A 98 -10.137 6.589 9.584 1.00 0.00 C ATOM 1585 O GLY A 98 -10.814 5.572 9.436 1.00 0.00 O ATOM 0 H GLY A 98 -12.514 6.975 8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.053 8.401 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.654 8.597 10.093 1.00 0.00 H new ATOM 1589 N ILE A 99 -8.905 6.578 10.066 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.244 5.342 10.436 1.00 0.00 C ATOM 1591 C ILE A 99 -8.579 4.903 11.849 1.00 0.00 C ATOM 1592 O ILE A 99 -9.379 3.993 12.054 1.00 0.00 O ATOM 1593 CB ILE A 99 -6.725 5.477 10.294 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.378 6.132 8.956 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.086 4.106 10.421 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.001 6.758 8.924 1.00 0.00 C ATOM 0 H ILE A 99 -8.342 7.416 10.210 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.613 4.578 9.752 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.335 6.116 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.445 5.383 8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.121 6.898 8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.005 4.198 10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.325 3.682 11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.469 3.452 9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.826 7.202 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.935 7.531 9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.249 5.993 9.115 1.00 0.00 H new ATOM 1608 N LYS A 100 -7.955 5.554 12.813 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.160 5.244 14.223 1.00 0.00 C ATOM 1610 C LYS A 100 -7.517 3.906 14.588 1.00 0.00 C ATOM 1611 O LYS A 100 -7.312 3.051 13.727 1.00 0.00 O ATOM 1612 CB LYS A 100 -9.654 5.236 14.549 1.00 0.00 C ATOM 1613 CG LYS A 100 -10.344 6.532 14.156 1.00 0.00 C ATOM 1614 CD LYS A 100 -11.292 6.346 12.979 1.00 0.00 C ATOM 1615 CE LYS A 100 -12.523 5.541 13.363 1.00 0.00 C ATOM 1616 NZ LYS A 100 -13.239 6.140 14.524 1.00 0.00 N ATOM 0 H LYS A 100 -7.293 6.311 12.645 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.678 6.018 14.820 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.131 4.403 14.032 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.788 5.066 15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.900 6.919 15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.592 7.279 13.900 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.599 7.322 12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.768 5.842 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.199 5.483 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.228 4.520 13.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.207 5.763 14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.736 5.902 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.274 7.174 14.414 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.190 3.712 15.878 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.548 2.481 16.360 1.00 0.00 C ATOM 1632 C PRO A 101 -7.451 1.260 16.244 1.00 0.00 C ATOM 1633 O PRO A 101 -6.983 0.153 15.978 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.249 2.783 17.830 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.213 3.854 18.209 1.00 0.00 C ATOM 1636 CD PRO A 101 -7.430 4.673 16.970 1.00 0.00 C ATOM 0 HA PRO A 101 -5.665 2.234 15.771 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.381 1.896 18.450 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.219 3.114 17.963 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.151 3.427 18.564 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.816 4.468 19.018 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.440 5.082 16.931 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.742 5.517 16.921 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.745 1.469 16.449 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.721 0.386 16.372 1.00 0.00 C ATOM 1646 C GLU A 102 -9.630 -0.357 15.040 1.00 0.00 C ATOM 1647 O GLU A 102 -10.123 -1.478 14.912 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.131 0.933 16.568 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.418 2.140 15.705 1.00 0.00 C ATOM 1650 CD GLU A 102 -12.811 2.699 15.919 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.742 2.256 15.214 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -12.970 3.580 16.789 1.00 0.00 O ATOM 0 H GLU A 102 -9.145 2.381 16.671 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.494 -0.323 17.169 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.854 0.150 16.341 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.269 1.200 17.616 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.683 2.916 15.919 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.298 1.868 14.656 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.999 0.272 14.053 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.848 -0.333 12.733 1.00 0.00 C ATOM 1661 C ASN A 103 -7.608 -1.217 12.663 1.00 0.00 C ATOM 1662 O ASN A 103 -6.557 -0.876 13.207 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.762 0.752 11.660 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.084 1.461 11.436 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.320 2.028 10.370 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.958 1.433 12.437 1.00 0.00 N ATOM 0 H ASN A 103 -8.584 1.200 14.142 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.725 -0.956 12.554 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.007 1.483 11.948 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.431 0.305 10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.863 1.893 12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.724 0.952 13.305 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.741 -2.356 11.989 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.641 -3.283 11.824 1.00 0.00 C ATOM 1675 C GLU A 104 -5.531 -2.653 10.993 1.00 0.00 C ATOM 1676 O GLU A 104 -5.621 -1.485 10.620 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.146 -4.548 11.150 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.528 -5.636 12.134 1.00 0.00 C ATOM 1679 CD GLU A 104 -8.783 -5.301 12.917 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.887 -5.644 12.443 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -8.663 -4.696 14.002 1.00 0.00 O ATOM 0 H GLU A 104 -8.610 -2.655 11.547 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.234 -3.531 12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.012 -4.303 10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.375 -4.928 10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.680 -6.571 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.704 -5.798 12.828 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.490 -3.422 10.697 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.378 -2.905 9.907 1.00 0.00 C ATOM 1690 C ARG A 105 -2.486 -4.021 9.386 1.00 0.00 C ATOM 1691 O ARG A 105 -2.864 -5.187 9.364 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.529 -1.951 10.742 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.961 -2.600 11.988 1.00 0.00 C ATOM 1694 CD ARG A 105 -2.795 -2.239 13.202 1.00 0.00 C ATOM 1695 NE ARG A 105 -3.764 -3.281 13.535 1.00 0.00 N ATOM 1696 CZ ARG A 105 -4.534 -3.252 14.617 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -4.452 -2.236 15.467 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -5.388 -4.239 14.853 1.00 0.00 N ATOM 0 H ARG A 105 -4.392 -4.395 10.988 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.812 -2.378 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -1.710 -1.573 10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -3.135 -1.092 11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.939 -3.683 11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.931 -2.275 12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.138 -2.070 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.321 -1.303 13.014 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.854 -4.075 12.901 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.796 -1.475 15.290 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.045 -2.216 16.297 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.454 -5.022 14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.978 -4.215 15.684 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.303 -3.617 8.947 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.287 -4.524 8.441 1.00 0.00 C ATOM 1714 C TYR A 106 1.031 -3.768 8.382 1.00 0.00 C ATOM 1715 O TYR A 106 1.533 -3.438 7.307 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.665 -5.070 7.062 1.00 0.00 C ATOM 1717 CG TYR A 106 0.194 -6.222 6.603 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.122 -7.521 6.968 1.00 0.00 C ATOM 1719 CD2 TYR A 106 1.309 -6.015 5.803 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.649 -8.585 6.550 1.00 0.00 C ATOM 1721 CE2 TYR A 106 2.087 -7.075 5.381 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.753 -8.358 5.757 1.00 0.00 C ATOM 1723 OH TYR A 106 2.523 -9.419 5.339 1.00 0.00 O ATOM 0 H TYR A 106 -1.020 -2.637 8.933 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.198 -5.383 9.106 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.706 -5.392 7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.595 -4.264 6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.986 -7.703 7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.572 -5.010 5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.389 -9.592 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.953 -6.899 4.760 1.00 0.00 H new ATOM 0 HH TYR A 106 3.262 -9.089 4.787 1.00 0.00 H new ATOM 1733 N THR A 107 1.561 -3.464 9.562 1.00 0.00 N ATOM 1734 CA THR A 107 2.803 -2.718 9.683 1.00 0.00 C ATOM 1735 C THR A 107 4.001 -3.548 9.242 1.00 0.00 C ATOM 1736 O THR A 107 4.627 -4.235 10.049 1.00 0.00 O ATOM 1737 CB THR A 107 3.017 -2.236 11.128 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.753 -2.082 11.785 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.759 -0.910 11.150 1.00 0.00 C ATOM 0 H THR A 107 1.143 -3.727 10.455 1.00 0.00 H new ATOM 0 HA THR A 107 2.720 -1.853 9.025 1.00 0.00 H new ATOM 0 HB THR A 107 3.614 -2.983 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.898 -1.777 12.705 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.899 -0.589 12.182 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.731 -1.029 10.672 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.180 -0.160 10.612 1.00 0.00 H new ATOM 1747 N LEU A 108 4.304 -3.484 7.952 1.00 0.00 N ATOM 1748 CA LEU A 108 5.432 -4.210 7.390 1.00 0.00 C ATOM 1749 C LEU A 108 6.723 -3.426 7.579 1.00 0.00 C ATOM 1750 O LEU A 108 7.078 -2.587 6.752 1.00 0.00 O ATOM 1751 CB LEU A 108 5.203 -4.481 5.900 1.00 0.00 C ATOM 1752 CG LEU A 108 6.440 -4.942 5.118 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.057 -6.177 5.759 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.079 -5.216 3.667 1.00 0.00 C ATOM 0 H LEU A 108 3.780 -2.933 7.273 1.00 0.00 H new ATOM 0 HA LEU A 108 5.519 -5.161 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.428 -5.241 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.819 -3.572 5.437 1.00 0.00 H new ATOM 0 HG LEU A 108 7.179 -4.142 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.932 -6.485 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.355 -5.946 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.326 -6.986 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.968 -5.542 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.320 -5.997 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.690 -4.306 3.211 1.00 0.00 H new ATOM 1766 N HIS A 109 7.417 -3.692 8.677 1.00 0.00 N ATOM 1767 CA HIS A 109 8.670 -3.012 8.951 1.00 0.00 C ATOM 1768 C HIS A 109 9.783 -3.611 8.115 1.00 0.00 C ATOM 1769 O HIS A 109 9.814 -4.817 7.868 1.00 0.00 O ATOM 1770 CB HIS A 109 9.014 -3.070 10.427 1.00 0.00 C ATOM 1771 CG HIS A 109 8.094 -2.251 11.271 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.476 -1.069 11.870 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.796 -2.440 11.605 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.453 -0.564 12.534 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.422 -1.377 12.389 1.00 0.00 N ATOM 0 H HIS A 109 7.135 -4.369 9.386 1.00 0.00 H new ATOM 0 HA HIS A 109 8.556 -1.962 8.680 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.980 -4.107 10.762 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.037 -2.722 10.570 1.00 0.00 H new ATOM 0 HD1 HIS A 109 9.404 -0.650 11.809 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.172 -3.271 11.310 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.458 0.356 13.099 1.00 0.00 H new ATOM 1784 N LEU A 110 10.699 -2.761 7.699 1.00 0.00 N ATOM 1785 CA LEU A 110 11.804 -3.177 6.856 1.00 0.00 C ATOM 1786 C LEU A 110 13.077 -2.412 7.196 1.00 0.00 C ATOM 1787 O LEU A 110 13.313 -1.321 6.677 1.00 0.00 O ATOM 1788 CB LEU A 110 11.438 -2.946 5.388 1.00 0.00 C ATOM 1789 CG LEU A 110 10.319 -3.840 4.844 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.998 -3.471 3.403 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.701 -5.309 4.944 1.00 0.00 C ATOM 0 H LEU A 110 10.700 -1.768 7.933 1.00 0.00 H new ATOM 0 HA LEU A 110 11.990 -4.237 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.141 -1.905 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.330 -3.098 4.780 1.00 0.00 H new ATOM 0 HG LEU A 110 9.429 -3.679 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.201 -4.115 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.675 -2.431 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.888 -3.602 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.891 -5.923 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.606 -5.490 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.880 -5.568 5.987 1.00 0.00 H new ATOM 1803 N ASN A 111 13.887 -2.984 8.081 1.00 0.00 N ATOM 1804 CA ASN A 111 15.145 -2.360 8.470 1.00 0.00 C ATOM 1805 C ASN A 111 16.078 -2.298 7.267 1.00 0.00 C ATOM 1806 O ASN A 111 16.901 -3.189 7.055 1.00 0.00 O ATOM 1807 CB ASN A 111 15.804 -3.142 9.609 1.00 0.00 C ATOM 1808 CG ASN A 111 16.807 -2.315 10.391 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.019 -2.543 11.582 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.427 -1.348 9.727 1.00 0.00 N ATOM 0 H ASN A 111 13.695 -3.874 8.540 1.00 0.00 H new ATOM 0 HA ASN A 111 14.943 -1.348 8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.032 -3.505 10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.305 -4.019 9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.110 -0.759 10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.221 -1.194 8.740 1.00 0.00 H new ATOM 1817 N VAL A 112 15.932 -1.243 6.476 1.00 0.00 N ATOM 1818 CA VAL A 112 16.734 -1.063 5.276 1.00 0.00 C ATOM 1819 C VAL A 112 18.217 -0.928 5.605 1.00 0.00 C ATOM 1820 O VAL A 112 18.636 0.031 6.253 1.00 0.00 O ATOM 1821 CB VAL A 112 16.279 0.178 4.484 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.851 0.159 3.076 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.760 0.258 4.448 1.00 0.00 C ATOM 0 H VAL A 112 15.260 -0.495 6.647 1.00 0.00 H new ATOM 0 HA VAL A 112 16.588 -1.955 4.666 1.00 0.00 H new ATOM 0 HB VAL A 112 16.658 1.066 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.517 1.044 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.940 0.154 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.507 -0.735 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.455 1.140 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.360 -0.635 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.375 0.326 5.465 1.00 0.00 H new ATOM 1833 N LYS A 113 19.008 -1.899 5.157 1.00 0.00 N ATOM 1834 CA LYS A 113 20.445 -1.889 5.396 1.00 0.00 C ATOM 1835 C LYS A 113 21.179 -1.157 4.276 1.00 0.00 C ATOM 1836 O LYS A 113 21.519 -1.809 3.266 1.00 0.00 O ATOM 1837 CB LYS A 113 20.963 -3.321 5.512 1.00 0.00 C ATOM 1838 CG LYS A 113 20.494 -4.032 6.769 1.00 0.00 C ATOM 1839 CD LYS A 113 21.279 -3.578 7.990 1.00 0.00 C ATOM 1840 CE LYS A 113 20.739 -4.202 9.265 1.00 0.00 C ATOM 1841 NZ LYS A 113 19.351 -3.752 9.559 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.407 0.064 4.419 1.00 0.00 O ATOM 0 H LYS A 113 18.676 -2.704 4.626 1.00 0.00 H new ATOM 0 HA LYS A 113 20.634 -1.361 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.638 -3.889 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.053 -3.308 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.433 -3.838 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.606 -5.109 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.329 -3.846 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.235 -2.492 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.757 -5.288 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.389 -3.942 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.320 -3.317 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.054 -3.055 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.708 -4.569 9.533 1.00 0.00 H new