USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 878 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 62 MET CE :methyl 155:sc= -0.127 (180deg=-1.56!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 1.3: A 88 MET CE :methyl -156:sc= -0.0831 (180deg=-0.952) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.314 K(o=-0.8,f=-4.8) USER MOD Set 2.2: A 71 MET CE :methyl -114:sc= -0.183 (180deg=-2.84!) USER MOD Set 2.3: A 72 MET CE :methyl 169:sc= -0.304 (180deg=0) USER MOD Single : A 16 MET CE :methyl -154:sc= -2.47 (180deg=-3.85!) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.81! F(o=-2.4,f=-1.8!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0648) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0196 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 149:sc= 0.0146 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0106 (180deg=-0.154) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -179:sc= 0 (180deg=-0.00062) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00468 X(o=-0.0047,f=-0.28) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.42 F(o=-1.6,f=-0.42) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0241 (180deg=-0.252) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.033 K(o=-0.033,f=-0.85) USER MOD Single : A 81 SER OG : rot 127:sc= 0.935 USER MOD Single : A 82 MET CE :methyl 142:sc= -0.0109 (180deg=-0.806) USER MOD Single : A 89 MET CE :methyl -147:sc= -0.213 (180deg=-0.8) USER MOD Single : A 91 ASN : amide:sc= -0.0579 X(o=-0.058,f=-0.33) USER MOD Single : A 92 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.5!) USER MOD Single : A 94 CYS SG : rot 63:sc= 0.266 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 101 SER OG : rot 91:sc= 1.11 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -136:sc=-0.00697 (180deg=-0.463) USER MOD Single : A 111 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-1.2) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -7.725 18.297 2.737 1.00 0.00 N ATOM 196 CA PRO A 15 -8.601 17.197 2.320 1.00 0.00 C ATOM 197 C PRO A 15 -7.831 16.064 1.651 1.00 0.00 C ATOM 198 O PRO A 15 -8.413 15.055 1.255 1.00 0.00 O ATOM 199 CB PRO A 15 -9.552 17.861 1.321 1.00 0.00 C ATOM 200 CG PRO A 15 -8.792 19.027 0.791 1.00 0.00 C ATOM 201 CD PRO A 15 -7.929 19.509 1.925 1.00 0.00 C ATOM 0 HA PRO A 15 -9.106 16.734 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.830 17.173 0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.476 18.178 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.184 18.739 -0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.468 19.813 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.984 19.916 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.419 20.298 2.496 1.00 0.00 H new ATOM 209 N MET A 16 -6.519 16.238 1.529 1.00 0.00 N ATOM 210 CA MET A 16 -5.669 15.228 0.909 1.00 0.00 C ATOM 211 C MET A 16 -5.178 14.221 1.944 1.00 0.00 C ATOM 212 O MET A 16 -5.345 13.014 1.775 1.00 0.00 O ATOM 213 CB MET A 16 -4.475 15.890 0.218 1.00 0.00 C ATOM 214 CG MET A 16 -3.369 14.915 -0.150 1.00 0.00 C ATOM 215 SD MET A 16 -3.612 14.170 -1.774 1.00 0.00 S ATOM 216 CE MET A 16 -5.081 13.190 -1.481 1.00 0.00 C ATOM 0 H MET A 16 -6.022 17.068 1.851 1.00 0.00 H new ATOM 0 HA MET A 16 -6.262 14.697 0.164 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.821 16.392 -0.685 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.067 16.659 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.411 15.435 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.318 14.128 0.603 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.103 12.351 -2.176 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.069 12.814 -0.458 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.966 13.808 -1.630 1.00 0.00 H new ATOM 226 N GLN A 17 -4.572 14.726 3.014 1.00 0.00 N ATOM 227 CA GLN A 17 -4.056 13.869 4.075 1.00 0.00 C ATOM 228 C GLN A 17 -5.121 12.883 4.544 1.00 0.00 C ATOM 229 O GLN A 17 -4.828 11.716 4.801 1.00 0.00 O ATOM 230 CB GLN A 17 -3.574 14.716 5.254 1.00 0.00 C ATOM 231 CG GLN A 17 -2.846 13.915 6.322 1.00 0.00 C ATOM 232 CD GLN A 17 -3.793 13.281 7.322 1.00 0.00 C ATOM 233 OE1 GLN A 17 -4.074 13.994 8.406 1.00 0.00 O flip ATOM 234 NE2 GLN A 17 -4.267 12.162 7.123 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.426 15.724 3.169 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.214 13.304 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.911 15.497 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.431 15.215 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.252 13.135 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.150 14.568 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.024 11.649 6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.903 11.749 7.805 1.00 0.00 H new ATOM 243 N GLN A 18 -6.356 13.361 4.654 1.00 0.00 N ATOM 244 CA GLN A 18 -7.463 12.521 5.093 1.00 0.00 C ATOM 245 C GLN A 18 -7.578 11.273 4.224 1.00 0.00 C ATOM 246 O GLN A 18 -7.391 10.153 4.699 1.00 0.00 O ATOM 247 CB GLN A 18 -8.775 13.307 5.053 1.00 0.00 C ATOM 248 CG GLN A 18 -8.835 14.442 6.062 1.00 0.00 C ATOM 249 CD GLN A 18 -10.013 15.368 5.830 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.890 15.083 5.014 1.00 0.00 O ATOM 251 NE2 GLN A 18 -10.039 16.485 6.548 1.00 0.00 N ATOM 0 H GLN A 18 -6.615 14.325 4.445 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.265 12.210 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.914 13.714 4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.604 12.624 5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.897 14.026 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.910 15.017 6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.291 16.681 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.807 17.147 6.434 1.00 0.00 H new ATOM 260 N LYS A 19 -7.888 11.474 2.948 1.00 0.00 N ATOM 261 CA LYS A 19 -8.027 10.365 2.010 1.00 0.00 C ATOM 262 C LYS A 19 -6.954 9.309 2.254 1.00 0.00 C ATOM 263 O LYS A 19 -7.262 8.145 2.515 1.00 0.00 O ATOM 264 CB LYS A 19 -7.939 10.875 0.570 1.00 0.00 C ATOM 265 CG LYS A 19 -9.282 11.266 -0.020 1.00 0.00 C ATOM 266 CD LYS A 19 -10.083 10.046 -0.442 1.00 0.00 C ATOM 267 CE LYS A 19 -11.458 10.434 -0.965 1.00 0.00 C ATOM 268 NZ LYS A 19 -12.348 10.922 0.125 1.00 0.00 N ATOM 0 H LYS A 19 -8.048 12.395 2.539 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.004 9.908 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.273 11.737 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.489 10.102 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.849 11.839 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.127 11.916 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.539 9.502 -1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.193 9.370 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.353 11.210 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.918 9.574 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.316 11.031 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.348 10.236 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.003 11.840 0.470 1.00 0.00 H new ATOM 282 N LEU A 20 -5.694 9.721 2.168 1.00 0.00 N ATOM 283 CA LEU A 20 -4.575 8.810 2.380 1.00 0.00 C ATOM 284 C LEU A 20 -4.897 7.797 3.474 1.00 0.00 C ATOM 285 O LEU A 20 -4.690 6.597 3.302 1.00 0.00 O ATOM 286 CB LEU A 20 -3.316 9.596 2.752 1.00 0.00 C ATOM 287 CG LEU A 20 -2.615 10.324 1.604 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.892 11.559 2.118 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.644 9.391 0.895 1.00 0.00 C ATOM 0 H LEU A 20 -5.422 10.680 1.953 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.398 8.269 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.582 10.330 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.604 8.908 3.208 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.370 10.643 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.399 12.064 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.611 12.236 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.147 11.263 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.154 9.926 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.893 9.041 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.188 8.537 0.492 1.00 0.00 H new ATOM 301 N ASN A 21 -5.408 8.289 4.598 1.00 0.00 N ATOM 302 CA ASN A 21 -5.761 7.426 5.719 1.00 0.00 C ATOM 303 C ASN A 21 -6.966 6.556 5.377 1.00 0.00 C ATOM 304 O ASN A 21 -6.981 5.359 5.663 1.00 0.00 O ATOM 305 CB ASN A 21 -6.061 8.267 6.962 1.00 0.00 C ATOM 306 CG ASN A 21 -5.917 7.473 8.246 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.807 7.258 8.735 1.00 0.00 O ATOM 308 ND2 ASN A 21 -7.041 7.032 8.798 1.00 0.00 N ATOM 0 H ASN A 21 -5.587 9.281 4.757 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.912 6.774 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.387 9.123 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.075 8.662 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.007 6.491 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.939 7.234 8.358 1.00 0.00 H new ATOM 315 N GLU A 22 -7.975 7.167 4.763 1.00 0.00 N ATOM 316 CA GLU A 22 -9.185 6.447 4.383 1.00 0.00 C ATOM 317 C GLU A 22 -8.852 5.264 3.478 1.00 0.00 C ATOM 318 O GLU A 22 -9.080 4.109 3.839 1.00 0.00 O ATOM 319 CB GLU A 22 -10.162 7.387 3.673 1.00 0.00 C ATOM 320 CG GLU A 22 -10.489 8.639 4.469 1.00 0.00 C ATOM 321 CD GLU A 22 -11.540 8.396 5.533 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.310 7.537 6.410 1.00 0.00 O ATOM 323 OE2 GLU A 22 -12.594 9.065 5.490 1.00 0.00 O ATOM 0 H GLU A 22 -7.978 8.157 4.519 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.652 6.067 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.739 7.678 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.086 6.847 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.580 9.013 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.839 9.416 3.789 1.00 0.00 H new ATOM 330 N VAL A 23 -8.312 5.560 2.301 1.00 0.00 N ATOM 331 CA VAL A 23 -7.947 4.522 1.344 1.00 0.00 C ATOM 332 C VAL A 23 -7.188 3.389 2.025 1.00 0.00 C ATOM 333 O VAL A 23 -7.389 2.216 1.710 1.00 0.00 O ATOM 334 CB VAL A 23 -7.083 5.090 0.202 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.542 3.965 -0.668 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.883 6.081 -0.629 1.00 0.00 C ATOM 0 H VAL A 23 -8.117 6.511 1.987 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.877 4.134 0.928 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.236 5.619 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.934 4.385 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.931 3.297 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.373 3.406 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.257 6.472 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.751 5.579 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.216 6.903 0.005 1.00 0.00 H new ATOM 346 N TYR A 24 -6.317 3.747 2.962 1.00 0.00 N ATOM 347 CA TYR A 24 -5.526 2.760 3.687 1.00 0.00 C ATOM 348 C TYR A 24 -6.422 1.850 4.521 1.00 0.00 C ATOM 349 O TYR A 24 -6.530 0.654 4.255 1.00 0.00 O ATOM 350 CB TYR A 24 -4.506 3.457 4.590 1.00 0.00 C ATOM 351 CG TYR A 24 -3.700 2.502 5.442 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.237 1.946 6.596 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.400 2.156 5.092 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.504 1.074 7.377 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.660 1.284 5.866 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.216 0.746 7.008 1.00 0.00 C ATOM 357 OH TYR A 24 -1.483 -0.123 7.783 1.00 0.00 O ATOM 0 H TYR A 24 -6.141 4.713 3.237 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.997 2.148 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.825 4.042 3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.028 4.159 5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.245 2.200 6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.961 2.576 4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.937 0.651 8.272 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.652 1.025 5.579 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.597 -0.249 7.384 1.00 0.00 H new ATOM 367 N GLU A 25 -7.064 2.428 5.532 1.00 0.00 N ATOM 368 CA GLU A 25 -7.952 1.669 6.406 1.00 0.00 C ATOM 369 C GLU A 25 -8.925 0.822 5.590 1.00 0.00 C ATOM 370 O GLU A 25 -9.172 -0.340 5.911 1.00 0.00 O ATOM 371 CB GLU A 25 -8.728 2.614 7.326 1.00 0.00 C ATOM 372 CG GLU A 25 -7.935 3.068 8.540 1.00 0.00 C ATOM 373 CD GLU A 25 -8.782 3.837 9.535 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.785 4.449 9.112 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.442 3.827 10.737 1.00 0.00 O ATOM 0 H GLU A 25 -6.986 3.418 5.766 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.340 1.003 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.037 3.490 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.637 2.115 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.502 2.198 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.105 3.695 8.214 1.00 0.00 H new ATOM 382 N ALA A 26 -9.474 1.414 4.535 1.00 0.00 N ATOM 383 CA ALA A 26 -10.418 0.715 3.672 1.00 0.00 C ATOM 384 C ALA A 26 -9.973 -0.722 3.422 1.00 0.00 C ATOM 385 O ALA A 26 -10.737 -1.664 3.630 1.00 0.00 O ATOM 386 CB ALA A 26 -10.578 1.457 2.354 1.00 0.00 C ATOM 0 H ALA A 26 -9.281 2.376 4.257 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.383 0.686 4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.286 0.923 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.950 2.463 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.613 1.517 1.851 1.00 0.00 H new ATOM 392 N VAL A 27 -8.732 -0.882 2.973 1.00 0.00 N ATOM 393 CA VAL A 27 -8.185 -2.205 2.694 1.00 0.00 C ATOM 394 C VAL A 27 -7.692 -2.876 3.971 1.00 0.00 C ATOM 395 O VAL A 27 -7.943 -4.059 4.201 1.00 0.00 O ATOM 396 CB VAL A 27 -7.024 -2.131 1.685 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.546 -3.527 1.317 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.446 -1.359 0.444 1.00 0.00 C ATOM 0 H VAL A 27 -8.087 -0.112 2.795 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.993 -2.797 2.264 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.194 -1.600 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.725 -3.454 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.202 -4.042 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.367 -4.087 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.614 -1.316 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.292 -1.860 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.735 -0.347 0.726 1.00 0.00 H new ATOM 408 N LYS A 28 -6.988 -2.112 4.801 1.00 0.00 N ATOM 409 CA LYS A 28 -6.460 -2.631 6.057 1.00 0.00 C ATOM 410 C LYS A 28 -7.579 -3.198 6.925 1.00 0.00 C ATOM 411 O LYS A 28 -7.334 -4.005 7.820 1.00 0.00 O ATOM 412 CB LYS A 28 -5.720 -1.528 6.816 1.00 0.00 C ATOM 413 CG LYS A 28 -4.845 -2.048 7.944 1.00 0.00 C ATOM 414 CD LYS A 28 -5.611 -2.124 9.254 1.00 0.00 C ATOM 415 CE LYS A 28 -5.086 -3.242 10.142 1.00 0.00 C ATOM 416 NZ LYS A 28 -6.026 -3.556 11.254 1.00 0.00 N ATOM 0 H LYS A 28 -6.770 -1.131 4.626 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.762 -3.435 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.100 -0.969 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.449 -0.828 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.466 -3.037 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.980 -1.396 8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.531 -1.172 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.669 -2.287 9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.923 -4.137 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.119 -2.954 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.632 -4.323 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.162 -2.710 11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.941 -3.855 10.861 1.00 0.00 H new ATOM 430 N ASN A 29 -8.808 -2.769 6.653 1.00 0.00 N ATOM 431 CA ASN A 29 -9.964 -3.235 7.409 1.00 0.00 C ATOM 432 C ASN A 29 -10.837 -4.153 6.558 1.00 0.00 C ATOM 433 O ASN A 29 -11.529 -5.028 7.080 1.00 0.00 O ATOM 434 CB ASN A 29 -10.789 -2.045 7.905 1.00 0.00 C ATOM 435 CG ASN A 29 -12.242 -2.408 8.143 1.00 0.00 C ATOM 436 OD1 ASN A 29 -12.549 -3.490 8.644 1.00 0.00 O ATOM 437 ND2 ASN A 29 -13.144 -1.502 7.783 1.00 0.00 N ATOM 0 H ASN A 29 -9.028 -2.100 5.915 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.601 -3.801 8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.356 -1.667 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.734 -1.238 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.137 -1.690 7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.843 -0.619 7.371 1.00 0.00 H new ATOM 444 N TYR A 30 -10.797 -3.949 5.246 1.00 0.00 N ATOM 445 CA TYR A 30 -11.585 -4.757 4.323 1.00 0.00 C ATOM 446 C TYR A 30 -11.673 -6.202 4.802 1.00 0.00 C ATOM 447 O TYR A 30 -10.679 -6.789 5.233 1.00 0.00 O ATOM 448 CB TYR A 30 -10.973 -4.709 2.921 1.00 0.00 C ATOM 449 CG TYR A 30 -11.557 -5.731 1.971 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.162 -7.062 2.023 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.502 -5.364 1.021 1.00 0.00 C ATOM 452 CE1 TYR A 30 -11.692 -7.998 1.157 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.038 -6.294 0.151 1.00 0.00 C ATOM 454 CZ TYR A 30 -12.630 -7.610 0.223 1.00 0.00 C ATOM 455 OH TYR A 30 -13.161 -8.539 -0.642 1.00 0.00 O ATOM 0 H TYR A 30 -10.227 -3.231 4.798 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.593 -4.344 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.118 -3.713 2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.897 -4.869 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.428 -7.370 2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.823 -4.335 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.374 -9.029 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.772 -5.992 -0.581 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.808 -8.102 -1.235 1.00 0.00 H new ATOM 465 N THR A 31 -12.872 -6.773 4.725 1.00 0.00 N ATOM 466 CA THR A 31 -13.092 -8.149 5.151 1.00 0.00 C ATOM 467 C THR A 31 -13.966 -8.900 4.153 1.00 0.00 C ATOM 468 O THR A 31 -14.599 -8.294 3.289 1.00 0.00 O ATOM 469 CB THR A 31 -13.754 -8.207 6.541 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.779 -7.213 6.637 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.725 -7.991 7.640 1.00 0.00 C ATOM 0 H THR A 31 -13.705 -6.303 4.371 1.00 0.00 H new ATOM 0 HA THR A 31 -12.113 -8.625 5.203 1.00 0.00 H new ATOM 0 HB THR A 31 -14.195 -9.196 6.668 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.196 -7.258 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.216 -8.036 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.962 -8.768 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.258 -7.014 7.514 1.00 0.00 H new ATOM 479 N ASP A 32 -13.995 -10.222 4.277 1.00 0.00 N ATOM 480 CA ASP A 32 -14.793 -11.057 3.386 1.00 0.00 C ATOM 481 C ASP A 32 -16.283 -10.838 3.627 1.00 0.00 C ATOM 482 O ASP A 32 -16.677 -9.978 4.415 1.00 0.00 O ATOM 483 CB ASP A 32 -14.442 -12.532 3.584 1.00 0.00 C ATOM 484 CG ASP A 32 -14.628 -13.346 2.319 1.00 0.00 C ATOM 485 OD1 ASP A 32 -14.297 -12.833 1.229 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.102 -14.497 2.419 1.00 0.00 O ATOM 0 H ASP A 32 -13.475 -10.739 4.986 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.564 -10.773 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.407 -12.615 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.066 -12.948 4.375 1.00 0.00 H new ATOM 491 N LYS A 33 -17.109 -11.622 2.942 1.00 0.00 N ATOM 492 CA LYS A 33 -18.557 -11.516 3.081 1.00 0.00 C ATOM 493 C LYS A 33 -19.012 -12.031 4.442 1.00 0.00 C ATOM 494 O LYS A 33 -20.188 -11.928 4.794 1.00 0.00 O ATOM 495 CB LYS A 33 -19.255 -12.299 1.967 1.00 0.00 C ATOM 496 CG LYS A 33 -19.447 -11.501 0.690 1.00 0.00 C ATOM 497 CD LYS A 33 -20.602 -12.040 -0.137 1.00 0.00 C ATOM 498 CE LYS A 33 -20.619 -11.435 -1.533 1.00 0.00 C ATOM 499 NZ LYS A 33 -19.767 -12.203 -2.481 1.00 0.00 N ATOM 0 H LYS A 33 -16.800 -12.338 2.285 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.829 -10.463 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.672 -13.193 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.228 -12.635 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.632 -10.456 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.531 -11.531 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -20.523 -13.125 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -21.544 -11.822 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.643 -11.409 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.271 -10.403 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.806 -11.759 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.785 -12.207 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.115 -13.181 -2.546 1.00 0.00 H new ATOM 513 N ARG A 34 -18.075 -12.584 5.205 1.00 0.00 N ATOM 514 CA ARG A 34 -18.380 -13.115 6.528 1.00 0.00 C ATOM 515 C ARG A 34 -17.676 -12.307 7.614 1.00 0.00 C ATOM 516 O ARG A 34 -18.301 -11.871 8.580 1.00 0.00 O ATOM 517 CB ARG A 34 -17.964 -14.584 6.620 1.00 0.00 C ATOM 518 CG ARG A 34 -16.495 -14.822 6.308 1.00 0.00 C ATOM 519 CD ARG A 34 -16.262 -16.220 5.758 1.00 0.00 C ATOM 520 NE ARG A 34 -15.970 -17.183 6.816 1.00 0.00 N ATOM 521 CZ ARG A 34 -16.908 -17.819 7.510 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.190 -17.596 7.257 1.00 0.00 N ATOM 523 NH2 ARG A 34 -16.564 -18.681 8.458 1.00 0.00 N ATOM 0 H ARG A 34 -17.097 -12.676 4.929 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.456 -13.039 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -18.178 -14.951 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.573 -15.169 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.151 -14.083 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.903 -14.682 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.144 -16.544 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.434 -16.197 5.050 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.993 -17.378 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.459 -16.935 6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.908 -18.086 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.579 -18.856 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.285 -19.169 8.990 1.00 0.00 H new ATOM 537 N GLY A 35 -16.372 -12.111 7.447 1.00 0.00 N ATOM 538 CA GLY A 35 -15.605 -11.357 8.421 1.00 0.00 C ATOM 539 C GLY A 35 -14.167 -11.828 8.518 1.00 0.00 C ATOM 540 O GLY A 35 -13.577 -11.822 9.598 1.00 0.00 O ATOM 0 H GLY A 35 -15.833 -12.461 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.621 -10.301 8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.079 -11.444 9.399 1.00 0.00 H new ATOM 544 N ARG A 36 -13.603 -12.240 7.387 1.00 0.00 N ATOM 545 CA ARG A 36 -12.227 -12.720 7.350 1.00 0.00 C ATOM 546 C ARG A 36 -11.290 -11.643 6.812 1.00 0.00 C ATOM 547 O ARG A 36 -11.410 -11.221 5.661 1.00 0.00 O ATOM 548 CB ARG A 36 -12.127 -13.978 6.486 1.00 0.00 C ATOM 549 CG ARG A 36 -12.608 -15.238 7.186 1.00 0.00 C ATOM 550 CD ARG A 36 -11.925 -16.479 6.631 1.00 0.00 C ATOM 551 NE ARG A 36 -11.972 -16.523 5.172 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.330 -17.430 4.444 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.597 -18.363 5.036 1.00 0.00 N ATOM 554 NH2 ARG A 36 -11.421 -17.405 3.120 1.00 0.00 N ATOM 0 H ARG A 36 -14.078 -12.251 6.484 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.925 -12.963 8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.711 -13.832 5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.090 -14.116 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.410 -15.160 8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.687 -15.332 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.886 -16.499 6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.406 -17.369 7.036 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.528 -15.819 4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.525 -18.386 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.105 -19.058 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.984 -16.689 2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.928 -18.102 2.562 1.00 0.00 H new ATOM 568 N ARG A 37 -10.359 -11.203 7.651 1.00 0.00 N ATOM 569 CA ARG A 37 -9.402 -10.174 7.260 1.00 0.00 C ATOM 570 C ARG A 37 -8.299 -10.762 6.385 1.00 0.00 C ATOM 571 O ARG A 37 -7.542 -11.630 6.822 1.00 0.00 O ATOM 572 CB ARG A 37 -8.791 -9.518 8.500 1.00 0.00 C ATOM 573 CG ARG A 37 -9.604 -8.351 9.036 1.00 0.00 C ATOM 574 CD ARG A 37 -9.373 -8.149 10.525 1.00 0.00 C ATOM 575 NE ARG A 37 -8.026 -8.544 10.929 1.00 0.00 N ATOM 576 CZ ARG A 37 -7.596 -8.510 12.185 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.402 -8.101 13.154 1.00 0.00 N ATOM 578 NH2 ARG A 37 -6.356 -8.886 12.473 1.00 0.00 N ATOM 0 H ARG A 37 -10.246 -11.543 8.606 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.934 -9.418 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.688 -10.268 9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.787 -9.170 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.335 -7.442 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.663 -8.529 8.852 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.535 -7.101 10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.105 -8.729 11.087 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.380 -8.863 10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.355 -7.811 12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.069 -8.076 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.733 -9.201 11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.026 -8.860 13.438 1.00 0.00 H new ATOM 592 N LEU A 38 -8.214 -10.284 5.149 1.00 0.00 N ATOM 593 CA LEU A 38 -7.203 -10.762 4.212 1.00 0.00 C ATOM 594 C LEU A 38 -5.851 -10.115 4.493 1.00 0.00 C ATOM 595 O LEU A 38 -4.803 -10.711 4.242 1.00 0.00 O ATOM 596 CB LEU A 38 -7.633 -10.468 2.773 1.00 0.00 C ATOM 597 CG LEU A 38 -8.644 -11.439 2.163 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.910 -11.491 3.003 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.968 -11.041 0.730 1.00 0.00 C ATOM 0 H LEU A 38 -8.833 -9.566 4.772 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.103 -11.840 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.057 -9.465 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.743 -10.459 2.144 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.200 -12.435 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.617 -12.187 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.664 -11.825 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.358 -10.498 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.689 -11.743 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.391 -10.036 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.056 -11.058 0.133 1.00 0.00 H new ATOM 611 N SER A 39 -5.882 -8.894 5.017 1.00 0.00 N ATOM 612 CA SER A 39 -4.658 -8.166 5.331 1.00 0.00 C ATOM 613 C SER A 39 -3.873 -8.872 6.432 1.00 0.00 C ATOM 614 O SER A 39 -2.717 -8.543 6.693 1.00 0.00 O ATOM 615 CB SER A 39 -4.988 -6.735 5.761 1.00 0.00 C ATOM 616 OG SER A 39 -5.797 -6.086 4.796 1.00 0.00 O ATOM 0 H SER A 39 -6.741 -8.388 5.233 1.00 0.00 H new ATOM 0 HA SER A 39 -4.042 -8.135 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.504 -6.750 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.065 -6.173 5.904 1.00 0.00 H new ATOM 0 HG SER A 39 -6.384 -5.440 5.242 1.00 0.00 H new ATOM 622 N ALA A 40 -4.512 -9.845 7.075 1.00 0.00 N ATOM 623 CA ALA A 40 -3.874 -10.599 8.146 1.00 0.00 C ATOM 624 C ALA A 40 -2.494 -11.093 7.724 1.00 0.00 C ATOM 625 O ALA A 40 -1.522 -10.958 8.468 1.00 0.00 O ATOM 626 CB ALA A 40 -4.751 -11.771 8.561 1.00 0.00 C ATOM 0 H ALA A 40 -5.471 -10.129 6.872 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.747 -9.933 9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.262 -12.326 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.713 -11.399 8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.907 -12.429 7.706 1.00 0.00 H new ATOM 632 N ILE A 41 -2.415 -11.664 6.527 1.00 0.00 N ATOM 633 CA ILE A 41 -1.154 -12.176 6.007 1.00 0.00 C ATOM 634 C ILE A 41 -0.272 -11.045 5.490 1.00 0.00 C ATOM 635 O ILE A 41 0.902 -11.250 5.182 1.00 0.00 O ATOM 636 CB ILE A 41 -1.384 -13.192 4.872 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.105 -13.988 4.604 1.00 0.00 C ATOM 638 CG2 ILE A 41 -1.846 -12.480 3.609 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.362 -15.390 4.097 1.00 0.00 C ATOM 0 H ILE A 41 -3.210 -11.784 5.899 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.651 -12.676 6.835 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.165 -13.888 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.501 -13.452 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.478 -14.044 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.004 -13.211 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.779 -11.954 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.086 -11.764 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.589 -15.896 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.942 -15.943 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.918 -15.342 3.161 1.00 0.00 H new ATOM 651 N PHE A 42 -0.846 -9.850 5.398 1.00 0.00 N ATOM 652 CA PHE A 42 -0.112 -8.684 4.919 1.00 0.00 C ATOM 653 C PHE A 42 -0.036 -7.608 5.999 1.00 0.00 C ATOM 654 O PHE A 42 0.099 -6.421 5.700 1.00 0.00 O ATOM 655 CB PHE A 42 -0.777 -8.117 3.664 1.00 0.00 C ATOM 656 CG PHE A 42 -0.602 -8.983 2.449 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.651 -9.457 2.095 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.690 -9.324 1.663 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.815 -10.253 0.977 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.533 -10.120 0.544 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.279 -10.587 0.202 1.00 0.00 C ATOM 0 H PHE A 42 -1.817 -9.663 5.649 1.00 0.00 H new ATOM 0 HA PHE A 42 0.902 -8.999 4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.842 -7.984 3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.364 -7.129 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.509 -9.202 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.673 -8.964 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.797 -10.614 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.389 -10.376 -0.062 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.154 -11.212 -0.670 1.00 0.00 H new ATOM 671 N LEU A 43 -0.124 -8.032 7.255 1.00 0.00 N ATOM 672 CA LEU A 43 -0.066 -7.105 8.380 1.00 0.00 C ATOM 673 C LEU A 43 1.378 -6.844 8.797 1.00 0.00 C ATOM 674 O LEU A 43 1.895 -5.741 8.621 1.00 0.00 O ATOM 675 CB LEU A 43 -0.857 -7.662 9.565 1.00 0.00 C ATOM 676 CG LEU A 43 -2.341 -7.296 9.612 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.994 -7.873 10.858 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.520 -5.786 9.564 1.00 0.00 C ATOM 0 H LEU A 43 -0.236 -9.011 7.520 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.510 -6.161 8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.771 -8.749 9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.388 -7.314 10.485 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.829 -7.727 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.050 -7.602 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.898 -8.959 10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.503 -7.472 11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.582 -5.544 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.017 -5.333 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.089 -5.398 8.641 1.00 0.00 H new ATOM 690 N ARG A 44 2.025 -7.867 9.347 1.00 0.00 N ATOM 691 CA ARG A 44 3.409 -7.748 9.787 1.00 0.00 C ATOM 692 C ARG A 44 4.286 -8.799 9.113 1.00 0.00 C ATOM 693 O ARG A 44 3.824 -9.895 8.791 1.00 0.00 O ATOM 694 CB ARG A 44 3.498 -7.893 11.307 1.00 0.00 C ATOM 695 CG ARG A 44 2.667 -6.871 12.066 1.00 0.00 C ATOM 696 CD ARG A 44 2.383 -7.330 13.488 1.00 0.00 C ATOM 697 NE ARG A 44 1.226 -6.647 14.062 1.00 0.00 N ATOM 698 CZ ARG A 44 -0.029 -7.035 13.864 1.00 0.00 C ATOM 699 NH1 ARG A 44 -0.288 -8.095 13.111 1.00 0.00 N ATOM 700 NH2 ARG A 44 -1.028 -6.363 14.421 1.00 0.00 N ATOM 0 H ARG A 44 1.612 -8.787 9.498 1.00 0.00 H new ATOM 0 HA ARG A 44 3.771 -6.760 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.172 -8.894 11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.540 -7.800 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.193 -5.917 12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.726 -6.704 11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.209 -8.406 13.494 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.259 -7.146 14.110 1.00 0.00 H new ATOM 0 HE ARG A 44 1.391 -5.828 14.647 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.477 -8.615 12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.253 -8.390 12.961 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.833 -5.548 15.002 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.991 -6.662 14.268 1.00 0.00 H new ATOM 714 N LEU A 45 5.553 -8.459 8.902 1.00 0.00 N ATOM 715 CA LEU A 45 6.495 -9.373 8.266 1.00 0.00 C ATOM 716 C LEU A 45 7.408 -10.022 9.302 1.00 0.00 C ATOM 717 O LEU A 45 7.608 -9.504 10.400 1.00 0.00 O ATOM 718 CB LEU A 45 7.333 -8.630 7.225 1.00 0.00 C ATOM 719 CG LEU A 45 6.764 -8.593 5.806 1.00 0.00 C ATOM 720 CD1 LEU A 45 5.405 -7.910 5.794 1.00 0.00 C ATOM 721 CD2 LEU A 45 7.727 -7.887 4.863 1.00 0.00 C ATOM 0 H LEU A 45 5.951 -7.557 9.162 1.00 0.00 H new ATOM 0 HA LEU A 45 5.923 -10.158 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.473 -7.604 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.320 -9.090 7.187 1.00 0.00 H new ATOM 0 HG LEU A 45 6.635 -9.618 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.015 -7.893 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.716 -8.458 6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.508 -6.889 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.305 -7.870 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.888 -6.865 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.678 -8.419 4.849 1.00 0.00 H new ATOM 733 N PRO A 46 7.977 -11.183 8.945 1.00 0.00 N ATOM 734 CA PRO A 46 8.881 -11.926 9.828 1.00 0.00 C ATOM 735 C PRO A 46 10.217 -11.217 10.020 1.00 0.00 C ATOM 736 O PRO A 46 10.718 -10.558 9.109 1.00 0.00 O ATOM 737 CB PRO A 46 9.081 -13.254 9.094 1.00 0.00 C ATOM 738 CG PRO A 46 8.833 -12.936 7.660 1.00 0.00 C ATOM 739 CD PRO A 46 7.784 -11.859 7.651 1.00 0.00 C ATOM 0 HA PRO A 46 8.471 -12.035 10.832 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.088 -13.642 9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.389 -14.014 9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.746 -12.595 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.492 -13.818 7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.920 -11.173 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.781 -12.276 7.561 1.00 0.00 H new ATOM 747 N SER A 47 10.790 -11.357 11.211 1.00 0.00 N ATOM 748 CA SER A 47 12.067 -10.726 11.524 1.00 0.00 C ATOM 749 C SER A 47 13.186 -11.311 10.667 1.00 0.00 C ATOM 750 O SER A 47 12.976 -12.269 9.922 1.00 0.00 O ATOM 751 CB SER A 47 12.399 -10.904 13.007 1.00 0.00 C ATOM 752 OG SER A 47 11.507 -10.162 13.821 1.00 0.00 O ATOM 0 H SER A 47 10.390 -11.902 11.975 1.00 0.00 H new ATOM 0 HA SER A 47 11.982 -9.662 11.304 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.345 -11.960 13.271 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.423 -10.581 13.195 1.00 0.00 H new ATOM 0 HG SER A 47 11.739 -10.293 14.764 1.00 0.00 H new ATOM 758 N ARG A 48 14.375 -10.729 10.779 1.00 0.00 N ATOM 759 CA ARG A 48 15.528 -11.191 10.015 1.00 0.00 C ATOM 760 C ARG A 48 16.030 -12.530 10.545 1.00 0.00 C ATOM 761 O ARG A 48 16.184 -13.490 9.790 1.00 0.00 O ATOM 762 CB ARG A 48 16.652 -10.154 10.070 1.00 0.00 C ATOM 763 CG ARG A 48 16.261 -8.801 9.499 1.00 0.00 C ATOM 764 CD ARG A 48 17.246 -7.718 9.910 1.00 0.00 C ATOM 765 NE ARG A 48 17.220 -7.472 11.350 1.00 0.00 N ATOM 766 CZ ARG A 48 16.263 -6.783 11.961 1.00 0.00 C ATOM 767 NH1 ARG A 48 15.259 -6.273 11.261 1.00 0.00 N ATOM 768 NH2 ARG A 48 16.310 -6.602 13.274 1.00 0.00 N ATOM 0 H ARG A 48 14.566 -9.936 11.392 1.00 0.00 H new ATOM 0 HA ARG A 48 15.216 -11.324 8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.965 -10.025 11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.514 -10.535 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.219 -8.862 8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 48 15.261 -8.535 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.252 -8.011 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 48 17.011 -6.795 9.380 1.00 0.00 H new ATOM 0 HE ARG A 48 17.979 -7.850 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.220 -6.409 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.525 -5.744 11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 48 17.082 -6.992 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.575 -6.073 13.742 1.00 0.00 H new ATOM 782 N SER A 49 16.284 -12.587 11.849 1.00 0.00 N ATOM 783 CA SER A 49 16.773 -13.808 12.479 1.00 0.00 C ATOM 784 C SER A 49 15.762 -14.940 12.330 1.00 0.00 C ATOM 785 O SER A 49 16.131 -16.111 12.261 1.00 0.00 O ATOM 786 CB SER A 49 17.064 -13.560 13.961 1.00 0.00 C ATOM 787 OG SER A 49 15.906 -13.776 14.750 1.00 0.00 O ATOM 0 H SER A 49 16.159 -11.803 12.489 1.00 0.00 H new ATOM 0 HA SER A 49 17.696 -14.101 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.864 -14.222 14.294 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.417 -12.538 14.100 1.00 0.00 H new ATOM 0 HG SER A 49 16.118 -13.613 15.693 1.00 0.00 H new ATOM 793 N GLU A 50 14.483 -14.579 12.280 1.00 0.00 N ATOM 794 CA GLU A 50 13.417 -15.565 12.140 1.00 0.00 C ATOM 795 C GLU A 50 13.383 -16.131 10.723 1.00 0.00 C ATOM 796 O GLU A 50 13.760 -17.281 10.492 1.00 0.00 O ATOM 797 CB GLU A 50 12.064 -14.938 12.483 1.00 0.00 C ATOM 798 CG GLU A 50 11.707 -15.030 13.957 1.00 0.00 C ATOM 799 CD GLU A 50 11.316 -16.434 14.376 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.539 -17.077 13.639 1.00 0.00 O ATOM 801 OE2 GLU A 50 11.785 -16.889 15.440 1.00 0.00 O ATOM 0 H GLU A 50 14.160 -13.613 12.334 1.00 0.00 H new ATOM 0 HA GLU A 50 13.618 -16.381 12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.073 -13.890 12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.287 -15.429 11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.557 -14.700 14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.884 -14.348 14.171 1.00 0.00 H new ATOM 808 N LEU A 51 12.928 -15.316 9.778 1.00 0.00 N ATOM 809 CA LEU A 51 12.844 -15.734 8.383 1.00 0.00 C ATOM 810 C LEU A 51 13.630 -14.788 7.482 1.00 0.00 C ATOM 811 O LEU A 51 13.073 -13.896 6.840 1.00 0.00 O ATOM 812 CB LEU A 51 11.382 -15.788 7.934 1.00 0.00 C ATOM 813 CG LEU A 51 11.056 -16.794 6.829 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.961 -18.201 7.399 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.762 -16.413 6.125 1.00 0.00 C ATOM 0 H LEU A 51 12.612 -14.362 9.952 1.00 0.00 H new ATOM 0 HA LEU A 51 13.280 -16.729 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.765 -16.019 8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.091 -14.795 7.591 1.00 0.00 H new ATOM 0 HG LEU A 51 11.863 -16.775 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.728 -18.903 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.912 -18.474 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.174 -18.236 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.546 -17.140 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.945 -16.403 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.867 -15.423 5.682 1.00 0.00 H new ATOM 827 N PRO A 52 14.955 -14.985 7.429 1.00 0.00 N ATOM 828 CA PRO A 52 15.846 -14.160 6.607 1.00 0.00 C ATOM 829 C PRO A 52 15.651 -14.406 5.115 1.00 0.00 C ATOM 830 O PRO A 52 15.982 -13.557 4.287 1.00 0.00 O ATOM 831 CB PRO A 52 17.244 -14.604 7.044 1.00 0.00 C ATOM 832 CG PRO A 52 17.059 -15.992 7.553 1.00 0.00 C ATOM 833 CD PRO A 52 15.687 -16.028 8.167 1.00 0.00 C ATOM 0 HA PRO A 52 15.659 -13.095 6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.946 -14.578 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.644 -13.949 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.144 -16.719 6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.823 -16.243 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.220 -17.006 8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.719 -15.816 9.236 1.00 0.00 H new ATOM 841 N ASP A 53 15.112 -15.573 4.778 1.00 0.00 N ATOM 842 CA ASP A 53 14.872 -15.930 3.384 1.00 0.00 C ATOM 843 C ASP A 53 14.000 -14.883 2.698 1.00 0.00 C ATOM 844 O ASP A 53 14.363 -14.348 1.650 1.00 0.00 O ATOM 845 CB ASP A 53 14.207 -17.304 3.295 1.00 0.00 C ATOM 846 CG ASP A 53 15.138 -18.426 3.710 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.324 -18.622 4.929 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.681 -19.108 2.815 1.00 0.00 O ATOM 0 H ASP A 53 14.833 -16.287 5.450 1.00 0.00 H new ATOM 0 HA ASP A 53 15.834 -15.967 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.321 -17.317 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.869 -17.475 2.273 1.00 0.00 H new ATOM 853 N TYR A 54 12.848 -14.597 3.294 1.00 0.00 N ATOM 854 CA TYR A 54 11.923 -13.617 2.739 1.00 0.00 C ATOM 855 C TYR A 54 12.673 -12.401 2.204 1.00 0.00 C ATOM 856 O TYR A 54 12.298 -11.826 1.181 1.00 0.00 O ATOM 857 CB TYR A 54 10.912 -13.180 3.800 1.00 0.00 C ATOM 858 CG TYR A 54 9.854 -12.235 3.276 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.127 -10.883 3.104 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.582 -12.693 2.955 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.163 -10.016 2.626 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.613 -11.833 2.476 1.00 0.00 C ATOM 863 CZ TYR A 54 7.909 -10.495 2.313 1.00 0.00 C ATOM 864 OH TYR A 54 6.946 -9.635 1.837 1.00 0.00 O ATOM 0 H TYR A 54 12.533 -15.030 4.162 1.00 0.00 H new ATOM 0 HA TYR A 54 11.391 -14.086 1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.426 -14.064 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.444 -12.698 4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.108 -10.504 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.347 -13.739 3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.391 -8.968 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.629 -12.206 2.230 1.00 0.00 H new ATOM 0 HH TYR A 54 6.120 -10.133 1.664 1.00 0.00 H new ATOM 874 N TYR A 55 13.735 -12.015 2.902 1.00 0.00 N ATOM 875 CA TYR A 55 14.538 -10.867 2.500 1.00 0.00 C ATOM 876 C TYR A 55 15.452 -11.224 1.332 1.00 0.00 C ATOM 877 O TYR A 55 15.461 -10.544 0.304 1.00 0.00 O ATOM 878 CB TYR A 55 15.372 -10.363 3.679 1.00 0.00 C ATOM 879 CG TYR A 55 14.564 -9.617 4.717 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.069 -8.345 4.458 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.297 -10.184 5.957 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.331 -7.659 5.403 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.559 -9.506 6.908 1.00 0.00 C ATOM 884 CZ TYR A 55 13.078 -8.244 6.626 1.00 0.00 C ATOM 885 OH TYR A 55 12.343 -7.566 7.571 1.00 0.00 O ATOM 0 H TYR A 55 14.060 -12.481 3.749 1.00 0.00 H new ATOM 0 HA TYR A 55 13.860 -10.076 2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.864 -11.212 4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.158 -9.708 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.265 -7.884 3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.673 -11.171 6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.954 -6.670 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.360 -9.961 7.867 1.00 0.00 H new ATOM 0 HH TYR A 55 12.255 -8.119 8.376 1.00 0.00 H new ATOM 895 N LEU A 56 16.221 -12.295 1.496 1.00 0.00 N ATOM 896 CA LEU A 56 17.139 -12.745 0.456 1.00 0.00 C ATOM 897 C LEU A 56 16.418 -12.898 -0.879 1.00 0.00 C ATOM 898 O LEU A 56 16.841 -12.344 -1.894 1.00 0.00 O ATOM 899 CB LEU A 56 17.783 -14.073 0.857 1.00 0.00 C ATOM 900 CG LEU A 56 18.715 -14.029 2.068 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.926 -15.427 2.630 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.048 -13.397 1.693 1.00 0.00 C ATOM 0 H LEU A 56 16.227 -12.868 2.340 1.00 0.00 H new ATOM 0 HA LEU A 56 17.917 -11.991 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.989 -14.792 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.346 -14.453 0.004 1.00 0.00 H new ATOM 0 HG LEU A 56 18.249 -13.416 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.592 -15.376 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.967 -15.844 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.370 -16.063 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.699 -13.374 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.520 -13.984 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.881 -12.380 1.338 1.00 0.00 H new ATOM 914 N THR A 57 15.323 -13.653 -0.870 1.00 0.00 N ATOM 915 CA THR A 57 14.541 -13.878 -2.080 1.00 0.00 C ATOM 916 C THR A 57 14.000 -12.567 -2.637 1.00 0.00 C ATOM 917 O THR A 57 14.430 -12.107 -3.696 1.00 0.00 O ATOM 918 CB THR A 57 13.364 -14.836 -1.817 1.00 0.00 C ATOM 919 OG1 THR A 57 13.841 -16.046 -1.219 1.00 0.00 O ATOM 920 CG2 THR A 57 12.629 -15.157 -3.109 1.00 0.00 C ATOM 0 H THR A 57 14.958 -14.118 -0.039 1.00 0.00 H new ATOM 0 HA THR A 57 15.212 -14.330 -2.811 1.00 0.00 H new ATOM 0 HB THR A 57 12.670 -14.345 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.086 -16.649 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.802 -15.835 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.241 -14.236 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 57 13.316 -15.630 -3.811 1.00 0.00 H new ATOM 928 N ILE A 58 13.056 -11.968 -1.919 1.00 0.00 N ATOM 929 CA ILE A 58 12.458 -10.708 -2.342 1.00 0.00 C ATOM 930 C ILE A 58 13.502 -9.598 -2.405 1.00 0.00 C ATOM 931 O ILE A 58 14.006 -9.145 -1.377 1.00 0.00 O ATOM 932 CB ILE A 58 11.324 -10.277 -1.394 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.329 -11.423 -1.200 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.619 -9.043 -1.938 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.572 -11.786 -2.458 1.00 0.00 C ATOM 0 H ILE A 58 12.689 -12.335 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 58 12.046 -10.873 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 58 11.756 -10.027 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.865 -12.302 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.616 -11.146 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.820 -8.751 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.335 -8.226 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.197 -9.267 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.885 -12.605 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.008 -10.921 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.277 -12.094 -3.231 1.00 0.00 H new ATOM 947 N LYS A 59 13.821 -9.162 -3.619 1.00 0.00 N ATOM 948 CA LYS A 59 14.803 -8.103 -3.818 1.00 0.00 C ATOM 949 C LYS A 59 14.323 -6.793 -3.200 1.00 0.00 C ATOM 950 O LYS A 59 15.122 -6.003 -2.696 1.00 0.00 O ATOM 951 CB LYS A 59 15.074 -7.905 -5.311 1.00 0.00 C ATOM 952 CG LYS A 59 15.939 -8.995 -5.922 1.00 0.00 C ATOM 953 CD LYS A 59 17.418 -8.708 -5.727 1.00 0.00 C ATOM 954 CE LYS A 59 18.279 -9.600 -6.608 1.00 0.00 C ATOM 955 NZ LYS A 59 18.190 -9.213 -8.044 1.00 0.00 N ATOM 0 H LYS A 59 13.413 -9.526 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 59 15.727 -8.401 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.123 -7.867 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.561 -6.941 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.691 -9.955 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.721 -9.080 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.620 -7.662 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.685 -8.861 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.317 -9.542 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.965 -10.637 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.955 -9.675 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.271 -9.513 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.281 -8.181 -8.132 1.00 0.00 H new ATOM 969 N LYS A 60 13.014 -6.570 -3.241 1.00 0.00 N ATOM 970 CA LYS A 60 12.427 -5.358 -2.683 1.00 0.00 C ATOM 971 C LYS A 60 11.230 -5.691 -1.797 1.00 0.00 C ATOM 972 O LYS A 60 10.075 -5.596 -2.212 1.00 0.00 O ATOM 973 CB LYS A 60 11.995 -4.412 -3.806 1.00 0.00 C ATOM 974 CG LYS A 60 11.980 -2.949 -3.397 1.00 0.00 C ATOM 975 CD LYS A 60 11.550 -2.053 -4.546 1.00 0.00 C ATOM 976 CE LYS A 60 11.910 -0.598 -4.284 1.00 0.00 C ATOM 977 NZ LYS A 60 11.343 0.309 -5.320 1.00 0.00 N ATOM 0 H LYS A 60 12.339 -7.213 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 60 13.184 -4.866 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.669 -4.537 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.999 -4.696 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.302 -2.813 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.973 -2.655 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.027 -2.387 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.474 -2.141 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.540 -0.304 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.994 -0.491 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.611 1.291 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.715 0.045 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.306 0.226 -5.324 1.00 0.00 H new ATOM 991 N PRO A 61 11.511 -6.089 -0.548 1.00 0.00 N ATOM 992 CA PRO A 61 10.471 -6.442 0.423 1.00 0.00 C ATOM 993 C PRO A 61 9.672 -5.228 0.885 1.00 0.00 C ATOM 994 O PRO A 61 10.241 -4.239 1.348 1.00 0.00 O ATOM 995 CB PRO A 61 11.262 -7.037 1.590 1.00 0.00 C ATOM 996 CG PRO A 61 12.615 -6.422 1.484 1.00 0.00 C ATOM 997 CD PRO A 61 12.865 -6.225 0.014 1.00 0.00 C ATOM 0 HA PRO A 61 9.733 -7.123 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.794 -6.802 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.314 -8.123 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.655 -5.472 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.373 -7.068 1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.469 -5.338 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.397 -7.072 -0.420 1.00 0.00 H new ATOM 1005 N MET A 62 8.352 -5.310 0.755 1.00 0.00 N ATOM 1006 CA MET A 62 7.476 -4.217 1.161 1.00 0.00 C ATOM 1007 C MET A 62 6.358 -4.724 2.067 1.00 0.00 C ATOM 1008 O MET A 62 5.687 -5.706 1.750 1.00 0.00 O ATOM 1009 CB MET A 62 6.879 -3.529 -0.068 1.00 0.00 C ATOM 1010 CG MET A 62 6.040 -2.307 0.266 1.00 0.00 C ATOM 1011 SD MET A 62 6.013 -1.096 -1.070 1.00 0.00 S ATOM 1012 CE MET A 62 7.490 -0.153 -0.701 1.00 0.00 C ATOM 0 H MET A 62 7.866 -6.121 0.372 1.00 0.00 H new ATOM 0 HA MET A 62 8.073 -3.495 1.718 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.687 -3.233 -0.737 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.262 -4.245 -0.611 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.020 -2.621 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.432 -1.838 1.168 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.862 0.312 -1.614 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.255 0.620 0.031 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.253 -0.817 -0.295 1.00 0.00 H new ATOM 1022 N ASP A 63 6.165 -4.049 3.195 1.00 0.00 N ATOM 1023 CA ASP A 63 5.128 -4.431 4.146 1.00 0.00 C ATOM 1024 C ASP A 63 4.107 -3.311 4.316 1.00 0.00 C ATOM 1025 O ASP A 63 4.378 -2.156 3.989 1.00 0.00 O ATOM 1026 CB ASP A 63 5.751 -4.781 5.499 1.00 0.00 C ATOM 1027 CG ASP A 63 6.534 -3.625 6.091 1.00 0.00 C ATOM 1028 OD1 ASP A 63 5.938 -2.547 6.297 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.743 -3.800 6.349 1.00 0.00 O ATOM 0 H ASP A 63 6.713 -3.235 3.473 1.00 0.00 H new ATOM 0 HA ASP A 63 4.615 -5.309 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.964 -5.076 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.411 -5.641 5.381 1.00 0.00 H new ATOM 1034 N MET A 64 2.932 -3.661 4.829 1.00 0.00 N ATOM 1035 CA MET A 64 1.870 -2.684 5.042 1.00 0.00 C ATOM 1036 C MET A 64 2.311 -1.609 6.031 1.00 0.00 C ATOM 1037 O MET A 64 2.080 -0.421 5.812 1.00 0.00 O ATOM 1038 CB MET A 64 0.606 -3.377 5.555 1.00 0.00 C ATOM 1039 CG MET A 64 -0.318 -3.853 4.446 1.00 0.00 C ATOM 1040 SD MET A 64 -1.408 -2.550 3.842 1.00 0.00 S ATOM 1041 CE MET A 64 -2.810 -2.746 4.939 1.00 0.00 C ATOM 0 H MET A 64 2.691 -4.613 5.105 1.00 0.00 H new ATOM 0 HA MET A 64 1.652 -2.207 4.087 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.893 -4.231 6.169 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.061 -2.689 6.201 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.280 -4.233 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.920 -4.684 4.812 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.580 -2.020 4.679 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.213 -3.754 4.838 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.492 -2.584 5.969 1.00 0.00 H new ATOM 1051 N GLU A 65 2.946 -2.035 7.118 1.00 0.00 N ATOM 1052 CA GLU A 65 3.417 -1.108 8.140 1.00 0.00 C ATOM 1053 C GLU A 65 4.256 0.005 7.519 1.00 0.00 C ATOM 1054 O GLU A 65 4.348 1.106 8.062 1.00 0.00 O ATOM 1055 CB GLU A 65 4.238 -1.851 9.196 1.00 0.00 C ATOM 1056 CG GLU A 65 3.449 -2.913 9.944 1.00 0.00 C ATOM 1057 CD GLU A 65 4.117 -3.332 11.239 1.00 0.00 C ATOM 1058 OE1 GLU A 65 4.021 -2.576 12.228 1.00 0.00 O ATOM 1059 OE2 GLU A 65 4.736 -4.416 11.263 1.00 0.00 O ATOM 0 H GLU A 65 3.146 -3.016 7.314 1.00 0.00 H new ATOM 0 HA GLU A 65 2.545 -0.660 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.096 -2.320 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.630 -1.130 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.451 -2.533 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.326 -3.787 9.304 1.00 0.00 H new ATOM 1066 N LYS A 66 4.866 -0.289 6.376 1.00 0.00 N ATOM 1067 CA LYS A 66 5.697 0.685 5.679 1.00 0.00 C ATOM 1068 C LYS A 66 4.875 1.899 5.257 1.00 0.00 C ATOM 1069 O LYS A 66 5.160 3.025 5.665 1.00 0.00 O ATOM 1070 CB LYS A 66 6.348 0.044 4.450 1.00 0.00 C ATOM 1071 CG LYS A 66 7.508 0.848 3.888 1.00 0.00 C ATOM 1072 CD LYS A 66 8.363 0.011 2.951 1.00 0.00 C ATOM 1073 CE LYS A 66 9.626 0.752 2.539 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.390 0.009 1.499 1.00 0.00 N ATOM 0 H LYS A 66 4.800 -1.195 5.912 1.00 0.00 H new ATOM 0 HA LYS A 66 6.477 1.017 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.702 -0.952 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.594 -0.081 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.125 1.717 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.123 1.223 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.632 -0.925 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.786 -0.248 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.361 1.739 2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.258 0.906 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.386 0.308 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.331 -1.012 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.988 0.212 0.562 1.00 0.00 H new ATOM 1088 N ILE A 67 3.854 1.661 4.440 1.00 0.00 N ATOM 1089 CA ILE A 67 2.990 2.735 3.967 1.00 0.00 C ATOM 1090 C ILE A 67 2.465 3.571 5.129 1.00 0.00 C ATOM 1091 O ILE A 67 2.857 4.725 5.304 1.00 0.00 O ATOM 1092 CB ILE A 67 1.796 2.185 3.164 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.291 1.372 1.966 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.897 3.323 2.704 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.545 -0.084 2.287 1.00 0.00 C ATOM 0 H ILE A 67 3.605 0.735 4.092 1.00 0.00 H new ATOM 0 HA ILE A 67 3.597 3.364 3.315 1.00 0.00 H new ATOM 0 HB ILE A 67 1.214 1.528 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.555 1.436 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.211 1.819 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.058 2.918 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.521 3.864 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.467 4.004 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.893 -0.599 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.304 -0.158 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.621 -0.546 2.635 1.00 0.00 H new ATOM 1107 N ARG A 68 1.576 2.980 5.921 1.00 0.00 N ATOM 1108 CA ARG A 68 0.997 3.670 7.068 1.00 0.00 C ATOM 1109 C ARG A 68 2.028 4.576 7.735 1.00 0.00 C ATOM 1110 O ARG A 68 1.780 5.762 7.951 1.00 0.00 O ATOM 1111 CB ARG A 68 0.460 2.658 8.081 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.358 3.289 9.197 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.367 2.416 10.442 1.00 0.00 C ATOM 1114 NE ARG A 68 -1.454 1.441 10.420 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.732 1.762 10.591 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -3.080 3.025 10.795 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -3.664 0.818 10.557 1.00 0.00 N ATOM 0 H ARG A 68 1.241 2.026 5.790 1.00 0.00 H new ATOM 0 HA ARG A 68 0.173 4.288 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.157 1.926 7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.298 2.115 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.052 4.269 9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.381 3.448 8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.586 1.894 10.525 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.464 3.046 11.326 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.219 0.461 10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.366 3.753 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.062 3.269 10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.399 -0.154 10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.645 1.065 10.688 1.00 0.00 H new ATOM 1131 N SER A 69 3.185 4.008 8.059 1.00 0.00 N ATOM 1132 CA SER A 69 4.252 4.762 8.706 1.00 0.00 C ATOM 1133 C SER A 69 4.490 6.089 7.991 1.00 0.00 C ATOM 1134 O SER A 69 4.294 7.161 8.565 1.00 0.00 O ATOM 1135 CB SER A 69 5.544 3.943 8.727 1.00 0.00 C ATOM 1136 OG SER A 69 6.537 4.577 9.515 1.00 0.00 O ATOM 0 H SER A 69 3.407 3.028 7.884 1.00 0.00 H new ATOM 0 HA SER A 69 3.946 4.971 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.341 2.948 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.912 3.812 7.709 1.00 0.00 H new ATOM 0 HG SER A 69 7.352 4.033 9.514 1.00 0.00 H new ATOM 1142 N HIS A 70 4.914 6.009 6.733 1.00 0.00 N ATOM 1143 CA HIS A 70 5.178 7.203 5.938 1.00 0.00 C ATOM 1144 C HIS A 70 3.939 8.090 5.861 1.00 0.00 C ATOM 1145 O HIS A 70 4.010 9.293 6.108 1.00 0.00 O ATOM 1146 CB HIS A 70 5.629 6.813 4.529 1.00 0.00 C ATOM 1147 CG HIS A 70 7.066 6.399 4.454 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.700 5.694 5.455 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.993 6.592 3.487 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.955 5.473 5.109 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.159 6.008 3.918 1.00 0.00 N ATOM 0 H HIS A 70 5.082 5.130 6.243 1.00 0.00 H new ATOM 0 HA HIS A 70 5.975 7.765 6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.004 5.995 4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.467 7.656 3.858 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.844 7.109 2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.690 4.945 5.699 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.039 5.990 3.403 1.00 0.00 H new ATOM 1160 N MET A 71 2.806 7.487 5.517 1.00 0.00 N ATOM 1161 CA MET A 71 1.552 8.223 5.408 1.00 0.00 C ATOM 1162 C MET A 71 1.352 9.137 6.612 1.00 0.00 C ATOM 1163 O MET A 71 1.094 10.331 6.461 1.00 0.00 O ATOM 1164 CB MET A 71 0.375 7.252 5.289 1.00 0.00 C ATOM 1165 CG MET A 71 -0.982 7.921 5.442 1.00 0.00 C ATOM 1166 SD MET A 71 -2.351 6.800 5.097 1.00 0.00 S ATOM 1167 CE MET A 71 -2.289 5.735 6.536 1.00 0.00 C ATOM 0 H MET A 71 2.730 6.491 5.309 1.00 0.00 H new ATOM 0 HA MET A 71 1.598 8.839 4.510 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.420 6.757 4.319 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.476 6.476 6.048 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.080 8.307 6.457 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.039 8.776 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.016 4.725 6.230 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.546 6.115 7.238 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.267 5.716 7.017 1.00 0.00 H new ATOM 1177 N MET A 72 1.473 8.569 7.808 1.00 0.00 N ATOM 1178 CA MET A 72 1.306 9.335 9.038 1.00 0.00 C ATOM 1179 C MET A 72 2.310 10.480 9.105 1.00 0.00 C ATOM 1180 O MET A 72 2.049 11.511 9.724 1.00 0.00 O ATOM 1181 CB MET A 72 1.470 8.424 10.256 1.00 0.00 C ATOM 1182 CG MET A 72 0.214 7.641 10.604 1.00 0.00 C ATOM 1183 SD MET A 72 -1.170 8.709 11.048 1.00 0.00 S ATOM 1184 CE MET A 72 -2.274 8.424 9.667 1.00 0.00 C ATOM 0 H MET A 72 1.686 7.582 7.951 1.00 0.00 H new ATOM 0 HA MET A 72 0.301 9.757 9.042 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.284 7.724 10.069 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.761 9.029 11.115 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.069 7.020 9.754 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.429 6.967 11.434 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.250 8.857 9.886 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.864 8.890 8.771 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.381 7.352 9.502 1.00 0.00 H new ATOM 1194 N ALA A 73 3.460 10.292 8.465 1.00 0.00 N ATOM 1195 CA ALA A 73 4.502 11.311 8.451 1.00 0.00 C ATOM 1196 C ALA A 73 4.302 12.286 7.296 1.00 0.00 C ATOM 1197 O ALA A 73 5.231 12.985 6.894 1.00 0.00 O ATOM 1198 CB ALA A 73 5.875 10.660 8.364 1.00 0.00 C ATOM 0 H ALA A 73 3.693 9.443 7.950 1.00 0.00 H new ATOM 0 HA ALA A 73 4.437 11.874 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.644 11.432 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.025 10.010 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.941 10.071 7.449 1.00 0.00 H new ATOM 1204 N ASN A 74 3.084 12.326 6.766 1.00 0.00 N ATOM 1205 CA ASN A 74 2.763 13.215 5.655 1.00 0.00 C ATOM 1206 C ASN A 74 3.935 13.317 4.684 1.00 0.00 C ATOM 1207 O ASN A 74 4.220 14.388 4.147 1.00 0.00 O ATOM 1208 CB ASN A 74 2.396 14.605 6.177 1.00 0.00 C ATOM 1209 CG ASN A 74 1.399 14.550 7.318 1.00 0.00 C ATOM 1210 OD1 ASN A 74 0.163 14.180 7.006 1.00 0.00 O flip ATOM 1211 ND2 ASN A 74 1.737 14.837 8.467 1.00 0.00 N flip ATOM 0 H ASN A 74 2.303 11.754 7.088 1.00 0.00 H new ATOM 0 HA ASN A 74 1.909 12.797 5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.300 15.114 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.979 15.198 5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.699 15.116 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.055 14.795 9.225 1.00 0.00 H new ATOM 1218 N LYS A 75 4.611 12.195 4.461 1.00 0.00 N ATOM 1219 CA LYS A 75 5.752 12.155 3.553 1.00 0.00 C ATOM 1220 C LYS A 75 5.290 12.011 2.107 1.00 0.00 C ATOM 1221 O LYS A 75 5.831 12.653 1.206 1.00 0.00 O ATOM 1222 CB LYS A 75 6.683 10.998 3.921 1.00 0.00 C ATOM 1223 CG LYS A 75 7.564 11.285 5.124 1.00 0.00 C ATOM 1224 CD LYS A 75 8.019 10.002 5.800 1.00 0.00 C ATOM 1225 CE LYS A 75 9.246 9.418 5.118 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.463 10.242 5.362 1.00 0.00 N ATOM 0 H LYS A 75 4.388 11.300 4.897 1.00 0.00 H new ATOM 0 HA LYS A 75 6.296 13.095 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.083 10.111 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.316 10.766 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.435 11.860 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.017 11.900 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.244 10.202 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.209 9.273 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.415 8.404 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.065 9.346 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.312 9.667 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.462 11.061 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.466 10.573 6.348 1.00 0.00 H new ATOM 1240 N TYR A 76 4.288 11.166 1.892 1.00 0.00 N ATOM 1241 CA TYR A 76 3.755 10.937 0.554 1.00 0.00 C ATOM 1242 C TYR A 76 3.128 12.210 -0.008 1.00 0.00 C ATOM 1243 O TYR A 76 3.134 13.255 0.641 1.00 0.00 O ATOM 1244 CB TYR A 76 2.718 9.813 0.581 1.00 0.00 C ATOM 1245 CG TYR A 76 3.320 8.438 0.761 1.00 0.00 C ATOM 1246 CD1 TYR A 76 4.159 7.894 -0.203 1.00 0.00 C ATOM 1247 CD2 TYR A 76 3.049 7.682 1.895 1.00 0.00 C ATOM 1248 CE1 TYR A 76 4.711 6.638 -0.043 1.00 0.00 C ATOM 1249 CE2 TYR A 76 3.597 6.426 2.064 1.00 0.00 C ATOM 1250 CZ TYR A 76 4.428 5.908 1.092 1.00 0.00 C ATOM 1251 OH TYR A 76 4.975 4.656 1.256 1.00 0.00 O ATOM 0 H TYR A 76 3.828 10.628 2.627 1.00 0.00 H new ATOM 0 HA TYR A 76 4.581 10.644 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.013 10.000 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.149 9.833 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.384 8.463 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.398 8.084 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.361 6.230 -0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.376 5.852 2.952 1.00 0.00 H new ATOM 0 HH TYR A 76 5.098 4.475 2.211 1.00 0.00 H new ATOM 1261 N GLN A 77 2.587 12.111 -1.218 1.00 0.00 N ATOM 1262 CA GLN A 77 1.956 13.253 -1.867 1.00 0.00 C ATOM 1263 C GLN A 77 0.467 13.001 -2.085 1.00 0.00 C ATOM 1264 O GLN A 77 -0.379 13.686 -1.510 1.00 0.00 O ATOM 1265 CB GLN A 77 2.636 13.546 -3.205 1.00 0.00 C ATOM 1266 CG GLN A 77 4.022 14.155 -3.062 1.00 0.00 C ATOM 1267 CD GLN A 77 4.513 14.796 -4.346 1.00 0.00 C ATOM 1268 OE1 GLN A 77 3.742 15.419 -5.077 1.00 0.00 O ATOM 1269 NE2 GLN A 77 5.802 14.647 -4.626 1.00 0.00 N ATOM 0 H GLN A 77 2.573 11.252 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 77 2.068 14.118 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.712 12.620 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.008 14.225 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.006 14.903 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.725 13.381 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.404 14.123 -3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.190 15.057 -5.476 1.00 0.00 H new ATOM 1278 N ASP A 78 0.155 12.015 -2.919 1.00 0.00 N ATOM 1279 CA ASP A 78 -1.232 11.672 -3.212 1.00 0.00 C ATOM 1280 C ASP A 78 -1.431 10.160 -3.204 1.00 0.00 C ATOM 1281 O ASP A 78 -0.465 9.397 -3.207 1.00 0.00 O ATOM 1282 CB ASP A 78 -1.645 12.246 -4.568 1.00 0.00 C ATOM 1283 CG ASP A 78 -2.923 11.623 -5.095 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -4.014 12.065 -4.677 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -2.833 10.694 -5.924 1.00 0.00 O ATOM 0 H ASP A 78 0.843 11.439 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.861 12.107 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.780 13.324 -4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.842 12.085 -5.287 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.690 9.734 -3.192 1.00 0.00 N ATOM 1291 CA ILE A 79 -3.015 8.313 -3.183 1.00 0.00 C ATOM 1292 C ILE A 79 -2.155 7.546 -4.181 1.00 0.00 C ATOM 1293 O ILE A 79 -1.633 6.475 -3.873 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.501 8.074 -3.511 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.392 8.794 -2.496 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.806 6.584 -3.528 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -4.818 8.816 -1.097 1.00 0.00 C ATOM 0 H ILE A 79 -3.501 10.352 -3.188 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.810 7.948 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.709 8.479 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.554 9.819 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.368 8.308 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.860 6.431 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.192 6.096 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.585 6.156 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.502 9.342 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.682 7.794 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.856 9.328 -1.107 1.00 0.00 H new ATOM 1309 N ASP A 80 -2.011 8.103 -5.379 1.00 0.00 N ATOM 1310 CA ASP A 80 -1.212 7.472 -6.424 1.00 0.00 C ATOM 1311 C ASP A 80 0.064 6.871 -5.843 1.00 0.00 C ATOM 1312 O ASP A 80 0.477 5.777 -6.228 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.863 8.489 -7.511 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.151 7.855 -8.690 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -0.631 6.812 -9.182 1.00 0.00 O ATOM 1316 OD2 ASP A 80 0.885 8.402 -9.121 1.00 0.00 O ATOM 0 H ASP A 80 -2.437 8.989 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.802 6.669 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.776 8.972 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.232 9.269 -7.086 1.00 0.00 H new ATOM 1321 N SER A 81 0.684 7.593 -4.916 1.00 0.00 N ATOM 1322 CA SER A 81 1.916 7.133 -4.285 1.00 0.00 C ATOM 1323 C SER A 81 1.716 5.769 -3.633 1.00 0.00 C ATOM 1324 O SER A 81 2.495 4.843 -3.855 1.00 0.00 O ATOM 1325 CB SER A 81 2.388 8.146 -3.241 1.00 0.00 C ATOM 1326 OG SER A 81 1.639 8.031 -2.043 1.00 0.00 O ATOM 0 H SER A 81 0.354 8.499 -4.585 1.00 0.00 H new ATOM 0 HA SER A 81 2.678 7.038 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.445 7.988 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.290 9.156 -3.639 1.00 0.00 H new ATOM 0 HG SER A 81 2.250 7.920 -1.285 1.00 0.00 H new ATOM 1332 N MET A 82 0.665 5.654 -2.827 1.00 0.00 N ATOM 1333 CA MET A 82 0.361 4.402 -2.143 1.00 0.00 C ATOM 1334 C MET A 82 0.190 3.263 -3.143 1.00 0.00 C ATOM 1335 O MET A 82 0.928 2.278 -3.110 1.00 0.00 O ATOM 1336 CB MET A 82 -0.907 4.552 -1.301 1.00 0.00 C ATOM 1337 CG MET A 82 -0.641 5.025 0.120 1.00 0.00 C ATOM 1338 SD MET A 82 -2.006 5.989 0.797 1.00 0.00 S ATOM 1339 CE MET A 82 -3.348 4.810 0.674 1.00 0.00 C ATOM 0 H MET A 82 0.010 6.412 -2.632 1.00 0.00 H new ATOM 0 HA MET A 82 1.198 4.163 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.577 5.258 -1.791 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.425 3.594 -1.265 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.460 4.161 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.267 5.628 0.134 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.992 4.899 1.549 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.928 5.012 -0.226 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.941 3.800 0.625 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.788 3.405 -4.032 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.056 2.388 -5.042 1.00 0.00 C ATOM 1351 C VAL A 83 0.233 1.715 -5.499 1.00 0.00 C ATOM 1352 O VAL A 83 0.317 0.489 -5.559 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.771 2.989 -6.268 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.148 1.895 -7.255 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -2.999 3.775 -5.835 1.00 0.00 C ATOM 0 H VAL A 83 -1.408 4.214 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.706 1.646 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.086 3.675 -6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.652 2.338 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.247 1.380 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.816 1.182 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.492 4.193 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.689 3.113 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.697 4.584 -5.169 1.00 0.00 H new ATOM 1365 N GLU A 84 1.237 2.526 -5.820 1.00 0.00 N ATOM 1366 CA GLU A 84 2.522 2.007 -6.272 1.00 0.00 C ATOM 1367 C GLU A 84 3.021 0.905 -5.343 1.00 0.00 C ATOM 1368 O GLU A 84 3.135 -0.254 -5.743 1.00 0.00 O ATOM 1369 CB GLU A 84 3.555 3.134 -6.345 1.00 0.00 C ATOM 1370 CG GLU A 84 3.233 4.188 -7.391 1.00 0.00 C ATOM 1371 CD GLU A 84 3.650 3.770 -8.788 1.00 0.00 C ATOM 1372 OE1 GLU A 84 4.566 2.930 -8.908 1.00 0.00 O ATOM 1373 OE2 GLU A 84 3.059 4.283 -9.761 1.00 0.00 O ATOM 0 H GLU A 84 1.185 3.544 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 84 2.384 1.585 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.627 3.613 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.533 2.705 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.162 4.389 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.735 5.119 -7.129 1.00 0.00 H new ATOM 1380 N ASP A 85 3.319 1.274 -4.102 1.00 0.00 N ATOM 1381 CA ASP A 85 3.805 0.318 -3.115 1.00 0.00 C ATOM 1382 C ASP A 85 2.865 -0.879 -3.008 1.00 0.00 C ATOM 1383 O ASP A 85 3.263 -2.018 -3.252 1.00 0.00 O ATOM 1384 CB ASP A 85 3.952 0.991 -1.750 1.00 0.00 C ATOM 1385 CG ASP A 85 2.958 2.118 -1.551 1.00 0.00 C ATOM 1386 OD1 ASP A 85 3.246 3.249 -1.997 1.00 0.00 O ATOM 1387 OD2 ASP A 85 1.891 1.870 -0.951 1.00 0.00 O ATOM 0 H ASP A 85 3.232 2.230 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 85 4.782 -0.039 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.816 0.247 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.965 1.381 -1.647 1.00 0.00 H new ATOM 1392 N PHE A 86 1.616 -0.612 -2.641 1.00 0.00 N ATOM 1393 CA PHE A 86 0.619 -1.667 -2.500 1.00 0.00 C ATOM 1394 C PHE A 86 0.749 -2.692 -3.622 1.00 0.00 C ATOM 1395 O PHE A 86 0.726 -3.899 -3.381 1.00 0.00 O ATOM 1396 CB PHE A 86 -0.790 -1.069 -2.500 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.276 -0.680 -1.133 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.855 -1.620 -0.296 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.155 0.626 -0.686 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.304 -1.265 0.962 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -1.601 0.986 0.571 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.177 0.040 1.396 1.00 0.00 C ATOM 0 H PHE A 86 1.270 0.325 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 86 0.792 -2.172 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -0.803 -0.191 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.483 -1.792 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.957 -2.642 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.707 1.371 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.754 -2.007 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.499 2.007 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.527 0.320 2.378 1.00 0.00 H new ATOM 1412 N VAL A 87 0.885 -2.202 -4.850 1.00 0.00 N ATOM 1413 CA VAL A 87 1.020 -3.075 -6.011 1.00 0.00 C ATOM 1414 C VAL A 87 2.215 -4.009 -5.861 1.00 0.00 C ATOM 1415 O VAL A 87 2.154 -5.178 -6.240 1.00 0.00 O ATOM 1416 CB VAL A 87 1.177 -2.261 -7.309 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.499 -3.179 -8.479 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.081 -1.452 -7.586 1.00 0.00 C ATOM 0 H VAL A 87 0.905 -1.206 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 87 0.107 -3.667 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 87 2.008 -1.566 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.606 -2.586 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.430 -3.710 -8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.692 -3.900 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.048 -0.883 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.931 -2.126 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.262 -0.766 -6.758 1.00 0.00 H new ATOM 1428 N MET A 88 3.303 -3.484 -5.305 1.00 0.00 N ATOM 1429 CA MET A 88 4.513 -4.272 -5.103 1.00 0.00 C ATOM 1430 C MET A 88 4.279 -5.375 -4.076 1.00 0.00 C ATOM 1431 O MET A 88 4.381 -6.561 -4.391 1.00 0.00 O ATOM 1432 CB MET A 88 5.663 -3.372 -4.648 1.00 0.00 C ATOM 1433 CG MET A 88 6.250 -2.524 -5.765 1.00 0.00 C ATOM 1434 SD MET A 88 7.999 -2.161 -5.516 1.00 0.00 S ATOM 1435 CE MET A 88 7.942 -1.277 -3.960 1.00 0.00 C ATOM 0 H MET A 88 3.371 -2.517 -4.987 1.00 0.00 H new ATOM 0 HA MET A 88 4.777 -4.735 -6.054 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.308 -2.716 -3.853 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.451 -3.992 -4.221 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.122 -3.043 -6.715 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.695 -1.588 -5.836 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.818 -0.633 -3.875 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.039 -0.668 -3.920 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.935 -1.991 -3.136 1.00 0.00 H new ATOM 1445 N MET A 89 3.964 -4.977 -2.848 1.00 0.00 N ATOM 1446 CA MET A 89 3.715 -5.933 -1.775 1.00 0.00 C ATOM 1447 C MET A 89 2.789 -7.050 -2.247 1.00 0.00 C ATOM 1448 O MET A 89 2.896 -8.191 -1.796 1.00 0.00 O ATOM 1449 CB MET A 89 3.104 -5.226 -0.564 1.00 0.00 C ATOM 1450 CG MET A 89 1.868 -4.405 -0.899 1.00 0.00 C ATOM 1451 SD MET A 89 1.129 -3.638 0.555 1.00 0.00 S ATOM 1452 CE MET A 89 -0.180 -4.803 0.925 1.00 0.00 C ATOM 0 H MET A 89 3.875 -3.999 -2.571 1.00 0.00 H new ATOM 0 HA MET A 89 4.669 -6.373 -1.486 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.843 -5.971 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.854 -4.573 -0.118 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.135 -3.630 -1.618 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.130 -5.046 -1.381 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.033 -4.270 1.344 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.484 -5.312 0.010 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.179 -5.537 1.646 1.00 0.00 H new ATOM 1462 N PHE A 90 1.880 -6.714 -3.156 1.00 0.00 N ATOM 1463 CA PHE A 90 0.934 -7.689 -3.688 1.00 0.00 C ATOM 1464 C PHE A 90 1.631 -8.663 -4.633 1.00 0.00 C ATOM 1465 O PHE A 90 1.431 -9.874 -4.551 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.206 -6.978 -4.420 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.183 -6.305 -3.498 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.723 -6.989 -2.421 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.561 -4.989 -3.709 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.622 -6.373 -1.572 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.459 -4.367 -2.863 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.990 -5.060 -1.792 1.00 0.00 C ATOM 0 H PHE A 90 1.778 -5.774 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 90 0.523 -8.254 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.215 -6.234 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.739 -7.702 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.438 -8.015 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.149 -4.443 -4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.037 -6.918 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.745 -3.341 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.691 -4.576 -1.128 1.00 0.00 H new ATOM 1482 N ASN A 91 2.450 -8.124 -5.531 1.00 0.00 N ATOM 1483 CA ASN A 91 3.176 -8.945 -6.493 1.00 0.00 C ATOM 1484 C ASN A 91 4.173 -9.858 -5.786 1.00 0.00 C ATOM 1485 O ASN A 91 4.330 -11.022 -6.150 1.00 0.00 O ATOM 1486 CB ASN A 91 3.907 -8.057 -7.502 1.00 0.00 C ATOM 1487 CG ASN A 91 3.055 -7.737 -8.715 1.00 0.00 C ATOM 1488 OD1 ASN A 91 2.441 -8.624 -9.308 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.012 -6.463 -9.089 1.00 0.00 N ATOM 0 H ASN A 91 2.627 -7.123 -5.612 1.00 0.00 H new ATOM 0 HA ASN A 91 2.453 -9.567 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.205 -7.128 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.821 -8.555 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.454 -6.187 -9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.537 -5.761 -8.568 1.00 0.00 H new ATOM 1496 N ASN A 92 4.844 -9.320 -4.773 1.00 0.00 N ATOM 1497 CA ASN A 92 5.826 -10.087 -4.014 1.00 0.00 C ATOM 1498 C ASN A 92 5.265 -11.449 -3.618 1.00 0.00 C ATOM 1499 O ASN A 92 5.953 -12.466 -3.711 1.00 0.00 O ATOM 1500 CB ASN A 92 6.250 -9.315 -2.763 1.00 0.00 C ATOM 1501 CG ASN A 92 7.010 -8.046 -3.097 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.819 -7.456 -4.160 1.00 0.00 O ATOM 1503 ND2 ASN A 92 7.878 -7.619 -2.186 1.00 0.00 N ATOM 0 H ASN A 92 4.726 -8.357 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 92 6.697 -10.244 -4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.366 -9.062 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.873 -9.955 -2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.418 -6.770 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.004 -8.140 -1.318 1.00 0.00 H new ATOM 1510 N ALA A 93 4.011 -11.462 -3.178 1.00 0.00 N ATOM 1511 CA ALA A 93 3.357 -12.699 -2.771 1.00 0.00 C ATOM 1512 C ALA A 93 3.178 -13.641 -3.957 1.00 0.00 C ATOM 1513 O ALA A 93 3.505 -14.825 -3.876 1.00 0.00 O ATOM 1514 CB ALA A 93 2.012 -12.397 -2.126 1.00 0.00 C ATOM 0 H ALA A 93 3.428 -10.629 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 93 3.995 -13.195 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.534 -13.330 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.162 -11.768 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.375 -11.876 -2.840 1.00 0.00 H new ATOM 1520 N CYS A 94 2.656 -13.108 -5.056 1.00 0.00 N ATOM 1521 CA CYS A 94 2.432 -13.902 -6.259 1.00 0.00 C ATOM 1522 C CYS A 94 3.668 -14.727 -6.604 1.00 0.00 C ATOM 1523 O CYS A 94 3.561 -15.875 -7.038 1.00 0.00 O ATOM 1524 CB CYS A 94 2.065 -12.995 -7.434 1.00 0.00 C ATOM 1525 SG CYS A 94 0.608 -11.964 -7.143 1.00 0.00 S ATOM 0 H CYS A 94 2.380 -12.130 -5.139 1.00 0.00 H new ATOM 0 HA CYS A 94 1.604 -14.584 -6.065 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.914 -12.350 -7.660 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.890 -13.612 -8.315 1.00 0.00 H new ATOM 0 HG CYS A 94 0.839 -11.156 -6.151 1.00 0.00 H new ATOM 1531 N THR A 95 4.841 -14.133 -6.411 1.00 0.00 N ATOM 1532 CA THR A 95 6.098 -14.811 -6.704 1.00 0.00 C ATOM 1533 C THR A 95 6.530 -15.696 -5.541 1.00 0.00 C ATOM 1534 O THR A 95 6.656 -16.912 -5.686 1.00 0.00 O ATOM 1535 CB THR A 95 7.221 -13.803 -7.012 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.832 -12.952 -8.096 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.513 -14.524 -7.366 1.00 0.00 C ATOM 0 H THR A 95 4.947 -13.184 -6.053 1.00 0.00 H new ATOM 0 HA THR A 95 5.925 -15.431 -7.584 1.00 0.00 H new ATOM 0 HB THR A 95 7.392 -13.200 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.551 -12.313 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.292 -13.792 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.822 -15.149 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.352 -15.149 -8.244 1.00 0.00 H new ATOM 1545 N TYR A 96 6.755 -15.079 -4.386 1.00 0.00 N ATOM 1546 CA TYR A 96 7.175 -15.811 -3.197 1.00 0.00 C ATOM 1547 C TYR A 96 6.467 -17.160 -3.110 1.00 0.00 C ATOM 1548 O TYR A 96 7.108 -18.209 -3.066 1.00 0.00 O ATOM 1549 CB TYR A 96 6.890 -14.990 -1.939 1.00 0.00 C ATOM 1550 CG TYR A 96 7.585 -15.514 -0.703 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.968 -15.460 -0.584 1.00 0.00 C ATOM 1552 CD2 TYR A 96 6.858 -16.061 0.347 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.608 -15.938 0.543 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.489 -16.540 1.479 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.864 -16.477 1.572 1.00 0.00 C ATOM 1556 OH TYR A 96 9.497 -16.953 2.697 1.00 0.00 O ATOM 0 H TYR A 96 6.653 -14.073 -4.248 1.00 0.00 H new ATOM 0 HA TYR A 96 8.248 -15.988 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.200 -13.959 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.815 -14.974 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.553 -15.037 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.781 -16.113 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.684 -15.890 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.909 -16.961 2.287 1.00 0.00 H new ATOM 0 HH TYR A 96 10.323 -16.448 2.846 1.00 0.00 H new ATOM 1566 N ASN A 97 5.139 -17.122 -3.085 1.00 0.00 N ATOM 1567 CA ASN A 97 4.341 -18.341 -3.003 1.00 0.00 C ATOM 1568 C ASN A 97 3.844 -18.760 -4.383 1.00 0.00 C ATOM 1569 O ASN A 97 3.900 -17.983 -5.335 1.00 0.00 O ATOM 1570 CB ASN A 97 3.153 -18.135 -2.061 1.00 0.00 C ATOM 1571 CG ASN A 97 3.544 -17.412 -0.787 1.00 0.00 C ATOM 1572 OD1 ASN A 97 4.157 -17.995 0.108 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.189 -16.135 -0.698 1.00 0.00 N ATOM 0 H ASN A 97 4.593 -16.261 -3.120 1.00 0.00 H new ATOM 0 HA ASN A 97 4.975 -19.135 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.379 -17.566 -2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.721 -19.103 -1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.424 -15.597 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.682 -15.692 -1.464 1.00 0.00 H new ATOM 1580 N GLU A 98 3.358 -19.993 -4.482 1.00 0.00 N ATOM 1581 CA GLU A 98 2.852 -20.515 -5.745 1.00 0.00 C ATOM 1582 C GLU A 98 1.604 -19.755 -6.187 1.00 0.00 C ATOM 1583 O GLU A 98 0.852 -19.220 -5.372 1.00 0.00 O ATOM 1584 CB GLU A 98 2.535 -22.007 -5.617 1.00 0.00 C ATOM 1585 CG GLU A 98 3.737 -22.853 -5.233 1.00 0.00 C ATOM 1586 CD GLU A 98 3.372 -24.303 -4.980 1.00 0.00 C ATOM 1587 OE1 GLU A 98 2.796 -24.591 -3.910 1.00 0.00 O ATOM 1588 OE2 GLU A 98 3.663 -25.149 -5.851 1.00 0.00 O ATOM 0 H GLU A 98 3.304 -20.649 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 98 3.626 -20.379 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.753 -22.141 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.135 -22.368 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.481 -22.803 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.199 -22.437 -4.338 1.00 0.00 H new ATOM 1595 N PRO A 99 1.379 -19.705 -7.508 1.00 0.00 N ATOM 1596 CA PRO A 99 0.224 -19.014 -8.089 1.00 0.00 C ATOM 1597 C PRO A 99 -1.089 -19.730 -7.793 1.00 0.00 C ATOM 1598 O PRO A 99 -2.168 -19.205 -8.066 1.00 0.00 O ATOM 1599 CB PRO A 99 0.517 -19.034 -9.591 1.00 0.00 C ATOM 1600 CG PRO A 99 1.406 -20.213 -9.788 1.00 0.00 C ATOM 1601 CD PRO A 99 2.234 -20.321 -8.537 1.00 0.00 C ATOM 0 HA PRO A 99 0.100 -18.012 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.400 -19.128 -10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.004 -18.113 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.822 -21.119 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.040 -20.082 -10.665 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.467 -21.359 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.184 -19.796 -8.637 1.00 0.00 H new ATOM 1609 N GLU A 100 -0.990 -20.932 -7.233 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.171 -21.719 -6.900 1.00 0.00 C ATOM 1611 C GLU A 100 -2.325 -21.857 -5.389 1.00 0.00 C ATOM 1612 O GLU A 100 -2.811 -22.875 -4.894 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.086 -23.104 -7.544 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.683 -23.165 -8.940 1.00 0.00 C ATOM 1615 CD GLU A 100 -4.175 -23.434 -8.926 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -4.652 -24.078 -7.968 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -4.866 -23.001 -9.871 1.00 0.00 O ATOM 0 H GLU A 100 -0.104 -21.381 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.045 -21.198 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.041 -23.410 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.600 -23.824 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.492 -22.223 -9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.182 -23.947 -9.511 1.00 0.00 H new ATOM 1624 N SER A 101 -1.908 -20.827 -4.660 1.00 0.00 N ATOM 1625 CA SER A 101 -1.995 -20.834 -3.205 1.00 0.00 C ATOM 1626 C SER A 101 -3.314 -20.227 -2.736 1.00 0.00 C ATOM 1627 O SER A 101 -4.129 -19.782 -3.546 1.00 0.00 O ATOM 1628 CB SER A 101 -0.821 -20.063 -2.599 1.00 0.00 C ATOM 1629 OG SER A 101 0.418 -20.613 -3.010 1.00 0.00 O ATOM 0 H SER A 101 -1.506 -19.976 -5.054 1.00 0.00 H new ATOM 0 HA SER A 101 -1.952 -21.870 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.875 -19.017 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.890 -20.086 -1.511 1.00 0.00 H new ATOM 0 HG SER A 101 0.718 -20.167 -3.829 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.517 -20.211 -1.424 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.737 -19.658 -0.845 1.00 0.00 C ATOM 1637 C LEU A 102 -4.598 -18.157 -0.613 1.00 0.00 C ATOM 1638 O LEU A 102 -5.594 -17.440 -0.511 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.064 -20.361 0.474 1.00 0.00 C ATOM 1640 CG LEU A 102 -3.865 -20.792 1.320 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -4.230 -20.802 2.796 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -3.366 -22.161 0.882 1.00 0.00 C ATOM 0 H LEU A 102 -2.853 -20.574 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.552 -19.824 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.685 -19.695 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.664 -21.244 0.253 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.061 -20.071 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.365 -21.111 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.537 -19.802 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.050 -21.500 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.513 -22.451 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.164 -22.894 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.063 -22.120 -0.164 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.357 -17.689 -0.533 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.089 -16.272 -0.317 1.00 0.00 C ATOM 1656 C ILE A 103 -3.142 -15.496 -1.628 1.00 0.00 C ATOM 1657 O ILE A 103 -3.371 -14.286 -1.637 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.713 -16.054 0.340 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.559 -14.597 0.781 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.599 -16.443 -0.621 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -1.029 -13.689 -0.307 1.00 0.00 C ATOM 0 H ILE A 103 -2.522 -18.269 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.866 -15.902 0.352 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.643 -16.690 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.527 -14.223 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.887 -14.554 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.367 -16.283 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.701 -17.494 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.664 -15.830 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.946 -12.672 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.047 -14.038 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.712 -13.702 -1.156 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.931 -16.200 -2.735 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.955 -15.577 -4.053 1.00 0.00 C ATOM 1675 C TYR A 104 -4.324 -14.972 -4.345 1.00 0.00 C ATOM 1676 O TYR A 104 -4.444 -13.775 -4.610 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.598 -16.602 -5.131 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.479 -16.008 -6.516 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.607 -15.596 -7.216 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -1.239 -15.857 -7.125 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.503 -15.054 -8.482 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -1.126 -15.314 -8.390 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.260 -14.914 -9.065 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.153 -14.373 -10.325 1.00 0.00 O ATOM 0 H TYR A 104 -2.741 -17.202 -2.746 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.215 -14.777 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.654 -17.080 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.358 -17.383 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.581 -15.702 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.348 -16.170 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.390 -14.741 -9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -0.154 -15.203 -8.848 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.210 -14.343 -10.589 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.356 -15.807 -4.294 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.719 -15.357 -4.551 1.00 0.00 C ATOM 1696 C LYS A 105 -7.063 -14.145 -3.691 1.00 0.00 C ATOM 1697 O LYS A 105 -7.790 -13.251 -4.124 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.712 -16.488 -4.276 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.487 -17.719 -5.138 1.00 0.00 C ATOM 1700 CD LYS A 105 -7.954 -18.984 -4.438 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.464 -19.144 -4.525 1.00 0.00 C ATOM 1702 NZ LYS A 105 -10.164 -18.405 -3.438 1.00 0.00 N ATOM 0 H LYS A 105 -5.274 -16.800 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.788 -15.068 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.644 -16.773 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.724 -16.119 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.021 -17.606 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.428 -17.806 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.469 -19.850 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.650 -18.956 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.812 -18.782 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.721 -20.202 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.913 -19.005 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.483 -18.157 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.586 -17.537 -3.825 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.534 -14.121 -2.472 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.783 -13.017 -1.553 1.00 0.00 C ATOM 1718 C ASP A 106 -6.048 -11.758 -2.003 1.00 0.00 C ATOM 1719 O ASP A 106 -6.484 -10.641 -1.728 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.349 -13.397 -0.136 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.119 -14.585 0.406 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.231 -14.852 -0.097 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.609 -15.249 1.332 1.00 0.00 O ATOM 0 H ASP A 106 -5.930 -14.853 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.853 -12.811 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.284 -13.627 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.491 -12.543 0.526 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.929 -11.949 -2.695 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.134 -10.829 -3.184 1.00 0.00 C ATOM 1730 C ALA A 107 -4.923 -9.989 -4.182 1.00 0.00 C ATOM 1731 O ALA A 107 -5.117 -8.789 -3.983 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.846 -11.334 -3.818 1.00 0.00 C ATOM 0 H ALA A 107 -4.553 -12.868 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.884 -10.195 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.262 -10.487 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.267 -11.885 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.085 -11.992 -4.653 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.376 -10.626 -5.256 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.145 -9.937 -6.287 1.00 0.00 C ATOM 1740 C LEU A 108 -7.322 -9.183 -5.676 1.00 0.00 C ATOM 1741 O LEU A 108 -7.581 -8.030 -6.020 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.650 -10.936 -7.328 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.708 -11.218 -8.500 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.694 -10.044 -9.467 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.303 -11.514 -7.996 1.00 0.00 C ATOM 0 H LEU A 108 -5.224 -11.618 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.488 -9.216 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.863 -11.879 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.595 -10.567 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.073 -12.096 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.019 -10.262 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.700 -9.879 -9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.354 -9.148 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.647 -11.712 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.928 -10.655 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.327 -12.387 -7.344 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.032 -9.843 -4.765 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.179 -9.235 -4.103 1.00 0.00 C ATOM 1759 C VAL A 109 -8.859 -7.819 -3.638 1.00 0.00 C ATOM 1760 O VAL A 109 -9.381 -6.843 -4.179 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.636 -10.070 -2.892 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -10.845 -9.430 -2.228 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -9.945 -11.498 -3.316 1.00 0.00 C ATOM 0 H VAL A 109 -7.832 -10.799 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.985 -9.200 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.824 -10.098 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.154 -10.034 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.585 -8.427 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.664 -9.369 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.266 -12.074 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.740 -11.492 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.051 -11.953 -3.742 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.997 -7.713 -2.633 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.606 -6.415 -2.094 1.00 0.00 C ATOM 1775 C LEU A 110 -7.326 -5.421 -3.217 1.00 0.00 C ATOM 1776 O LEU A 110 -7.890 -4.327 -3.247 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.368 -6.561 -1.207 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.522 -7.467 0.015 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.170 -7.719 0.666 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.491 -6.854 1.015 1.00 0.00 C ATOM 0 H LEU A 110 -7.555 -8.510 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.433 -6.034 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.551 -6.944 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.072 -5.569 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.928 -8.423 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.299 -8.366 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.505 -8.202 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.736 -6.770 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.588 -7.513 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.114 -5.884 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.466 -6.726 0.545 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.453 -5.810 -4.141 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.101 -4.954 -5.268 1.00 0.00 C ATOM 1794 C HIS A 111 -7.310 -4.153 -5.741 1.00 0.00 C ATOM 1795 O HIS A 111 -7.284 -2.922 -5.758 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.549 -5.794 -6.421 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.870 -4.984 -7.481 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.395 -5.528 -8.656 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.589 -3.661 -7.540 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.849 -4.576 -9.390 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.954 -3.433 -8.736 1.00 0.00 N ATOM 0 H HIS A 111 -5.977 -6.712 -4.131 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.332 -4.256 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.842 -6.522 -6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.366 -6.357 -6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.821 -2.923 -6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.394 -4.709 -10.360 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.618 -2.528 -9.066 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.369 -4.858 -6.124 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.588 -4.214 -6.596 1.00 0.00 C ATOM 1812 C LYS A 112 -10.187 -3.323 -5.512 1.00 0.00 C ATOM 1813 O LYS A 112 -10.658 -2.220 -5.791 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.611 -5.267 -7.029 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.764 -4.698 -7.838 1.00 0.00 C ATOM 1816 CD LYS A 112 -12.660 -5.798 -8.382 1.00 0.00 C ATOM 1817 CE LYS A 112 -12.014 -6.511 -9.561 1.00 0.00 C ATOM 1818 NZ LYS A 112 -12.127 -5.719 -10.817 1.00 0.00 N ATOM 0 H LYS A 112 -8.407 -5.877 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.332 -3.591 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.106 -6.031 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.009 -5.761 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.351 -4.025 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.372 -4.105 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.874 -6.518 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.614 -5.372 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.962 -6.696 -9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.487 -7.483 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.675 -6.238 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.131 -5.564 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.654 -4.801 -10.692 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.166 -3.808 -4.275 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.705 -3.054 -3.149 1.00 0.00 C ATOM 1834 C VAL A 113 -10.012 -1.703 -3.010 1.00 0.00 C ATOM 1835 O VAL A 113 -10.589 -0.748 -2.488 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.555 -3.833 -1.829 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.195 -3.068 -0.681 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.161 -5.222 -1.959 1.00 0.00 C ATOM 0 H VAL A 113 -9.782 -4.720 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.764 -2.897 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.493 -3.944 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.079 -3.634 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.710 -2.098 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.256 -2.923 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.046 -5.759 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.220 -5.136 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.651 -5.769 -2.752 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.773 -1.629 -3.482 1.00 0.00 N ATOM 1849 CA LEU A 114 -8.000 -0.393 -3.412 1.00 0.00 C ATOM 1850 C LEU A 114 -8.223 0.460 -4.656 1.00 0.00 C ATOM 1851 O LEU A 114 -7.993 1.670 -4.642 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.511 -0.708 -3.255 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.544 0.410 -3.648 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.486 1.472 -2.561 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.158 -0.156 -3.918 1.00 0.00 C ATOM 0 H LEU A 114 -8.282 -2.410 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.339 0.170 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.324 -0.974 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.281 -1.588 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.909 0.876 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.793 2.259 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.479 1.898 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.145 1.021 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.483 0.653 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.785 -0.648 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.213 -0.879 -4.732 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.674 -0.177 -5.731 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.931 0.523 -6.985 1.00 0.00 C ATOM 1869 C LEU A 115 -10.364 1.045 -7.033 1.00 0.00 C ATOM 1870 O LEU A 115 -10.686 1.926 -7.829 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.674 -0.405 -8.173 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.226 -0.852 -8.374 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.165 -2.075 -9.276 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.393 0.282 -8.953 1.00 0.00 C ATOM 0 H LEU A 115 -8.869 -1.178 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.252 1.373 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.294 -1.293 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.007 0.099 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.811 -1.121 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.126 -2.379 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.727 -2.891 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.598 -1.833 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.365 -0.054 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.807 0.583 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.409 1.131 -8.270 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.218 0.496 -6.175 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.615 0.908 -6.120 1.00 0.00 C ATOM 1888 C GLU A 116 -12.790 2.120 -5.209 1.00 0.00 C ATOM 1889 O GLU A 116 -13.681 2.944 -5.417 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.491 -0.246 -5.625 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.220 -0.640 -4.183 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.216 -1.658 -3.660 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -14.311 -2.754 -4.251 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.900 -1.357 -2.659 1.00 0.00 O ATOM 0 H GLU A 116 -10.967 -0.235 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.925 1.185 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.539 0.036 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.331 -1.113 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.213 -1.049 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.252 0.250 -3.555 1.00 0.00 H new ATOM 1901 N THR A 117 -11.932 2.222 -4.199 1.00 0.00 N ATOM 1902 CA THR A 117 -11.992 3.331 -3.255 1.00 0.00 C ATOM 1903 C THR A 117 -11.445 4.611 -3.876 1.00 0.00 C ATOM 1904 O THR A 117 -11.925 5.707 -3.586 1.00 0.00 O ATOM 1905 CB THR A 117 -11.201 3.019 -1.971 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.336 4.097 -1.038 1.00 0.00 O ATOM 1907 CG2 THR A 117 -9.729 2.793 -2.283 1.00 0.00 C ATOM 0 H THR A 117 -11.187 1.550 -4.014 1.00 0.00 H new ATOM 0 HA THR A 117 -13.042 3.473 -3.001 1.00 0.00 H new ATOM 0 HB THR A 117 -11.607 2.107 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 117 -10.831 3.890 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.191 2.574 -1.361 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.628 1.953 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.313 3.690 -2.742 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.439 4.465 -4.733 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.827 5.611 -5.394 1.00 0.00 C ATOM 1917 C ARG A 118 -10.891 6.596 -5.872 1.00 0.00 C ATOM 1918 O ARG A 118 -10.758 7.806 -5.688 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.977 5.148 -6.579 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.553 4.776 -6.199 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.627 5.980 -6.259 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.369 6.404 -7.632 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.357 7.191 -7.981 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.512 7.636 -7.061 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -5.189 7.534 -9.251 1.00 0.00 N ATOM 0 H ARG A 118 -10.031 3.565 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.187 6.117 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.456 4.287 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.949 5.940 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.542 4.357 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.187 4.000 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.069 6.806 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.683 5.736 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.000 6.078 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.638 7.374 -6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.736 8.240 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.837 7.194 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.412 8.138 -9.518 1.00 0.00 H new