USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 68 MET CE :methyl 174:sc=-0.00602 (180deg=-0.0479) USER MOD Set 1.2: A 74 CYS SG : rot 113:sc= 0.317 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 170:sc= 2.07 (180deg=1.09) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.791 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 143:sc= -0.923 (180deg=-3.32!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -169:sc= -0.239 (180deg=-0.411) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.15) USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= -0.0606 (180deg=-0.38) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 1.27 (180deg=0.794) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 2.17 (180deg=1.96) USER MOD Single : A 78 MET CE :methyl -151:sc= -0.133 (180deg=-0.216) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 172:sc= 1.09 (180deg=0.885) USER MOD Single : A 98 SER OG : rot 180:sc= 0.628 USER MOD Single : A 109 THR OG1 : rot 120:sc= 0.668 USER MOD Single : A 110 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ILE A 14 -5.725 8.234 -3.897 1.00 0.00 N ATOM 218 CA ILE A 14 -5.254 7.796 -5.202 1.00 0.00 C ATOM 219 C ILE A 14 -6.301 6.843 -5.782 1.00 0.00 C ATOM 220 O ILE A 14 -6.900 7.141 -6.817 1.00 0.00 O ATOM 221 CB ILE A 14 -3.826 7.201 -5.063 1.00 0.00 C ATOM 222 CG1 ILE A 14 -2.800 8.337 -4.831 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.393 6.375 -6.287 1.00 0.00 C ATOM 224 CD1 ILE A 14 -1.448 7.858 -4.284 1.00 0.00 C ATOM 0 HA ILE A 14 -5.151 8.618 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.855 6.526 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.634 8.860 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.226 9.060 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.387 5.987 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.084 5.544 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.401 7.008 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.786 8.714 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.599 7.361 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.998 7.158 -4.988 1.00 0.00 H new ATOM 236 N GLU A 15 -6.573 5.739 -5.089 1.00 0.00 N ATOM 237 CA GLU A 15 -7.381 4.655 -5.624 1.00 0.00 C ATOM 238 C GLU A 15 -8.858 5.042 -5.794 1.00 0.00 C ATOM 239 O GLU A 15 -9.488 4.589 -6.749 1.00 0.00 O ATOM 240 CB GLU A 15 -7.221 3.456 -4.674 1.00 0.00 C ATOM 241 CG GLU A 15 -8.115 2.266 -5.039 1.00 0.00 C ATOM 242 CD GLU A 15 -7.782 1.025 -4.191 1.00 0.00 C ATOM 243 OE1 GLU A 15 -8.378 0.842 -3.105 1.00 0.00 O ATOM 244 OE2 GLU A 15 -6.937 0.203 -4.613 1.00 0.00 O ATOM 0 H GLU A 15 -6.237 5.575 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.035 4.405 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.180 3.134 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.450 3.775 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.160 2.537 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.992 2.029 -6.096 1.00 0.00 H new ATOM 251 N THR A 16 -9.411 5.869 -4.901 1.00 0.00 N ATOM 252 CA THR A 16 -10.856 6.126 -4.836 1.00 0.00 C ATOM 253 C THR A 16 -11.265 7.513 -5.360 1.00 0.00 C ATOM 254 O THR A 16 -12.460 7.811 -5.407 1.00 0.00 O ATOM 255 CB THR A 16 -11.397 5.844 -3.418 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.855 6.726 -2.455 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.118 4.405 -2.963 1.00 0.00 C ATOM 0 H THR A 16 -8.871 6.380 -4.202 1.00 0.00 H new ATOM 0 HA THR A 16 -11.329 5.425 -5.524 1.00 0.00 H new ATOM 0 HB THR A 16 -12.474 5.998 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.225 6.514 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.518 4.257 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.595 3.707 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.042 4.228 -2.955 1.00 0.00 H new ATOM 265 N GLU A 17 -10.311 8.344 -5.800 1.00 0.00 N ATOM 266 CA GLU A 17 -10.613 9.674 -6.328 1.00 0.00 C ATOM 267 C GLU A 17 -9.726 10.046 -7.520 1.00 0.00 C ATOM 268 O GLU A 17 -10.256 10.516 -8.527 1.00 0.00 O ATOM 269 CB GLU A 17 -10.528 10.708 -5.188 1.00 0.00 C ATOM 270 CG GLU A 17 -11.021 12.097 -5.613 1.00 0.00 C ATOM 271 CD GLU A 17 -11.179 13.032 -4.400 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.164 13.539 -3.873 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.329 13.282 -3.970 1.00 0.00 O ATOM 0 H GLU A 17 -9.318 8.113 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.631 9.669 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.120 10.360 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.496 10.782 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.317 12.534 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.976 12.004 -6.129 1.00 0.00 H new ATOM 280 N ILE A 18 -8.409 9.824 -7.453 1.00 0.00 N ATOM 281 CA ILE A 18 -7.504 10.312 -8.499 1.00 0.00 C ATOM 282 C ILE A 18 -7.580 9.395 -9.729 1.00 0.00 C ATOM 283 O ILE A 18 -7.744 9.888 -10.844 1.00 0.00 O ATOM 284 CB ILE A 18 -6.059 10.477 -7.969 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.041 11.341 -6.681 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.164 11.116 -9.043 1.00 0.00 C ATOM 287 CD1 ILE A 18 -4.652 11.620 -6.096 1.00 0.00 C ATOM 0 H ILE A 18 -7.951 9.317 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.827 11.307 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.671 9.487 -7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.524 12.294 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.643 10.843 -5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.151 11.225 -8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.147 10.480 -9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.558 12.097 -9.309 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.751 12.231 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.168 10.677 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.047 12.151 -6.831 1.00 0.00 H new ATOM 299 N ILE A 19 -7.506 8.072 -9.544 1.00 0.00 N ATOM 300 CA ILE A 19 -7.444 7.095 -10.637 1.00 0.00 C ATOM 301 C ILE A 19 -8.593 6.075 -10.564 1.00 0.00 C ATOM 302 O ILE A 19 -8.569 5.070 -11.270 1.00 0.00 O ATOM 303 CB ILE A 19 -6.046 6.458 -10.714 1.00 0.00 C ATOM 304 CG1 ILE A 19 -5.660 5.856 -9.356 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.000 7.480 -11.201 1.00 0.00 C ATOM 306 CD1 ILE A 19 -4.506 4.885 -9.482 1.00 0.00 C ATOM 0 H ILE A 19 -7.487 7.644 -8.618 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.596 7.618 -11.581 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.071 5.649 -11.445 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.389 6.656 -8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.521 5.344 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.020 7.004 -11.247 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.276 7.838 -12.193 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.963 8.321 -10.509 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.262 4.480 -8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.787 4.071 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.637 5.403 -9.887 1.00 0.00 H new ATOM 318 N VAL A 20 -9.618 6.331 -9.746 1.00 0.00 N ATOM 319 CA VAL A 20 -10.796 5.469 -9.614 1.00 0.00 C ATOM 320 C VAL A 20 -11.470 5.180 -10.966 1.00 0.00 C ATOM 321 O VAL A 20 -11.948 4.068 -11.194 1.00 0.00 O ATOM 322 CB VAL A 20 -11.750 6.098 -8.576 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.402 7.415 -9.028 1.00 0.00 C ATOM 324 CG2 VAL A 20 -12.828 5.117 -8.100 1.00 0.00 C ATOM 0 H VAL A 20 -9.653 7.156 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.489 4.487 -9.253 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.099 6.342 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.056 7.787 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.627 8.153 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.986 7.240 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.472 5.609 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.426 4.792 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.354 4.251 -7.638 1.00 0.00 H new ATOM 334 N ASP A 21 -11.488 6.163 -11.874 1.00 0.00 N ATOM 335 CA ASP A 21 -12.125 6.047 -13.188 1.00 0.00 C ATOM 336 C ASP A 21 -11.210 5.366 -14.218 1.00 0.00 C ATOM 337 O ASP A 21 -11.662 5.001 -15.305 1.00 0.00 O ATOM 338 CB ASP A 21 -12.515 7.451 -13.669 1.00 0.00 C ATOM 339 CG ASP A 21 -13.294 7.422 -14.996 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.423 6.882 -15.029 1.00 0.00 O ATOM 341 OD2 ASP A 21 -12.812 7.996 -15.999 1.00 0.00 O ATOM 0 H ASP A 21 -11.055 7.072 -11.713 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.010 5.419 -13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.122 7.938 -12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.615 8.053 -13.793 1.00 0.00 H new ATOM 346 N ALA A 22 -9.921 5.207 -13.898 1.00 0.00 N ATOM 347 CA ALA A 22 -8.918 4.698 -14.824 1.00 0.00 C ATOM 348 C ALA A 22 -8.975 3.169 -14.949 1.00 0.00 C ATOM 349 O ALA A 22 -9.680 2.488 -14.200 1.00 0.00 O ATOM 350 CB ALA A 22 -7.527 5.164 -14.381 1.00 0.00 C ATOM 0 H ALA A 22 -9.546 5.432 -12.976 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.132 5.100 -15.814 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.778 4.783 -15.074 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.493 6.253 -14.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.319 4.788 -13.379 1.00 0.00 H new ATOM 356 N GLU A 23 -8.186 2.631 -15.884 1.00 0.00 N ATOM 357 CA GLU A 23 -8.052 1.196 -16.124 1.00 0.00 C ATOM 358 C GLU A 23 -6.643 0.889 -16.642 1.00 0.00 C ATOM 359 O GLU A 23 -5.993 -0.028 -16.139 1.00 0.00 O ATOM 360 CB GLU A 23 -9.134 0.749 -17.124 1.00 0.00 C ATOM 361 CG GLU A 23 -9.132 -0.770 -17.350 1.00 0.00 C ATOM 362 CD GLU A 23 -10.292 -1.207 -18.262 1.00 0.00 C ATOM 363 OE1 GLU A 23 -10.129 -1.219 -19.504 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.376 -1.566 -17.749 1.00 0.00 O ATOM 0 H GLU A 23 -7.611 3.197 -16.508 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.193 0.642 -15.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.113 1.058 -16.758 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.976 1.255 -18.076 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.184 -1.071 -17.796 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.210 -1.282 -16.391 1.00 0.00 H new ATOM 371 N ASP A 24 -6.125 1.697 -17.574 1.00 0.00 N ATOM 372 CA ASP A 24 -4.817 1.507 -18.207 1.00 0.00 C ATOM 373 C ASP A 24 -4.042 2.821 -18.172 1.00 0.00 C ATOM 374 O ASP A 24 -4.594 3.861 -17.809 1.00 0.00 O ATOM 375 CB ASP A 24 -4.994 0.997 -19.647 1.00 0.00 C ATOM 376 CG ASP A 24 -3.716 0.421 -20.288 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.713 0.185 -19.579 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.718 0.199 -21.520 1.00 0.00 O ATOM 0 H ASP A 24 -6.617 2.522 -17.917 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.248 0.756 -17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.766 0.227 -19.653 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.357 1.817 -20.266 1.00 0.00 H new ATOM 383 N LYS A 25 -2.767 2.782 -18.547 1.00 0.00 N ATOM 384 CA LYS A 25 -1.805 3.871 -18.376 1.00 0.00 C ATOM 385 C LYS A 25 -2.288 5.228 -18.885 1.00 0.00 C ATOM 386 O LYS A 25 -2.071 6.234 -18.211 1.00 0.00 O ATOM 387 CB LYS A 25 -0.440 3.470 -18.966 1.00 0.00 C ATOM 388 CG LYS A 25 -0.441 3.200 -20.483 1.00 0.00 C ATOM 389 CD LYS A 25 0.923 2.723 -21.004 1.00 0.00 C ATOM 390 CE LYS A 25 1.312 1.354 -20.426 1.00 0.00 C ATOM 391 NZ LYS A 25 2.596 0.855 -20.979 1.00 0.00 N ATOM 0 H LYS A 25 -2.358 1.962 -18.995 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.692 4.021 -17.302 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.278 4.262 -18.754 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.088 2.575 -18.453 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.196 2.448 -20.713 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.728 4.111 -21.009 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.895 2.663 -22.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.687 3.456 -20.745 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.390 1.429 -19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.522 0.634 -20.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.818 -0.071 -20.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.515 0.758 -22.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.356 1.528 -20.753 1.00 0.00 H new ATOM 405 N GLU A 26 -2.970 5.266 -20.030 1.00 0.00 N ATOM 406 CA GLU A 26 -3.457 6.523 -20.596 1.00 0.00 C ATOM 407 C GLU A 26 -4.551 7.100 -19.696 1.00 0.00 C ATOM 408 O GLU A 26 -4.566 8.296 -19.409 1.00 0.00 O ATOM 409 CB GLU A 26 -3.988 6.295 -22.020 1.00 0.00 C ATOM 410 CG GLU A 26 -2.862 5.963 -23.010 1.00 0.00 C ATOM 411 CD GLU A 26 -3.401 5.780 -24.440 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.802 4.651 -24.807 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.408 6.756 -25.225 1.00 0.00 O ATOM 0 H GLU A 26 -3.197 4.440 -20.584 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.635 7.236 -20.651 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.713 5.481 -22.010 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.515 7.188 -22.357 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.120 6.762 -23.000 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.354 5.052 -22.693 1.00 0.00 H new ATOM 420 N GLU A 27 -5.442 6.244 -19.193 1.00 0.00 N ATOM 421 CA GLU A 27 -6.537 6.660 -18.332 1.00 0.00 C ATOM 422 C GLU A 27 -6.009 7.048 -16.949 1.00 0.00 C ATOM 423 O GLU A 27 -6.550 7.956 -16.323 1.00 0.00 O ATOM 424 CB GLU A 27 -7.583 5.539 -18.221 1.00 0.00 C ATOM 425 CG GLU A 27 -8.073 4.974 -19.564 1.00 0.00 C ATOM 426 CD GLU A 27 -8.640 6.051 -20.510 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.560 6.800 -20.110 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.199 6.131 -21.678 1.00 0.00 O ATOM 0 H GLU A 27 -5.420 5.241 -19.375 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.016 7.534 -18.772 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.160 4.724 -17.634 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.442 5.918 -17.668 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.246 4.465 -20.059 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.842 4.225 -19.376 1.00 0.00 H new ATOM 435 N ARG A 28 -4.941 6.402 -16.465 1.00 0.00 N ATOM 436 CA ARG A 28 -4.323 6.739 -15.182 1.00 0.00 C ATOM 437 C ARG A 28 -3.682 8.119 -15.288 1.00 0.00 C ATOM 438 O ARG A 28 -3.859 8.938 -14.386 1.00 0.00 O ATOM 439 CB ARG A 28 -3.291 5.664 -14.793 1.00 0.00 C ATOM 440 CG ARG A 28 -3.917 4.286 -14.512 1.00 0.00 C ATOM 441 CD ARG A 28 -2.857 3.180 -14.395 1.00 0.00 C ATOM 442 NE ARG A 28 -3.444 1.849 -14.644 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.772 0.692 -14.711 1.00 0.00 C ATOM 444 NH1 ARG A 28 -1.471 0.636 -14.435 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.416 -0.413 -15.069 1.00 0.00 N ATOM 0 H ARG A 28 -4.483 5.632 -16.953 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.079 6.766 -14.397 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.560 5.566 -15.596 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.749 5.996 -13.907 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.494 4.333 -13.589 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.614 4.036 -15.312 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.054 3.365 -15.108 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.411 3.204 -13.400 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.454 1.806 -14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.970 1.483 -14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.976 -0.254 -14.491 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.411 -0.375 -15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.915 -1.300 -15.124 1.00 0.00 H new ATOM 459 N ALA A 29 -2.996 8.401 -16.400 1.00 0.00 N ATOM 460 CA ALA A 29 -2.443 9.716 -16.668 1.00 0.00 C ATOM 461 C ALA A 29 -3.559 10.760 -16.714 1.00 0.00 C ATOM 462 O ALA A 29 -3.433 11.806 -16.083 1.00 0.00 O ATOM 463 CB ALA A 29 -1.624 9.676 -17.963 1.00 0.00 C ATOM 0 H ALA A 29 -2.813 7.718 -17.135 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.770 10.007 -15.862 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.210 10.664 -18.162 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.812 8.957 -17.858 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.267 9.378 -18.791 1.00 0.00 H new ATOM 469 N MET A 30 -4.678 10.468 -17.388 1.00 0.00 N ATOM 470 CA MET A 30 -5.823 11.372 -17.407 1.00 0.00 C ATOM 471 C MET A 30 -6.438 11.562 -16.019 1.00 0.00 C ATOM 472 O MET A 30 -6.795 12.687 -15.685 1.00 0.00 O ATOM 473 CB MET A 30 -6.865 10.931 -18.439 1.00 0.00 C ATOM 474 CG MET A 30 -6.381 11.123 -19.883 1.00 0.00 C ATOM 475 SD MET A 30 -6.061 12.834 -20.425 1.00 0.00 S ATOM 476 CE MET A 30 -4.315 13.072 -19.977 1.00 0.00 C ATOM 0 H MET A 30 -4.810 9.611 -17.926 1.00 0.00 H new ATOM 0 HA MET A 30 -5.452 12.350 -17.714 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.109 9.881 -18.278 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.783 11.499 -18.289 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.463 10.549 -20.012 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.125 10.689 -20.551 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.823 13.676 -20.739 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.252 13.580 -19.015 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.822 12.103 -19.908 1.00 0.00 H new ATOM 486 N GLY A 31 -6.512 10.522 -15.186 1.00 0.00 N ATOM 487 CA GLY A 31 -7.021 10.634 -13.825 1.00 0.00 C ATOM 488 C GLY A 31 -6.202 11.641 -13.016 1.00 0.00 C ATOM 489 O GLY A 31 -6.755 12.602 -12.471 1.00 0.00 O ATOM 0 H GLY A 31 -6.219 9.579 -15.440 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.066 10.944 -13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.988 9.659 -13.339 1.00 0.00 H new ATOM 493 N TRP A 32 -4.874 11.476 -13.013 1.00 0.00 N ATOM 494 CA TRP A 32 -3.969 12.429 -12.380 1.00 0.00 C ATOM 495 C TRP A 32 -4.126 13.826 -12.982 1.00 0.00 C ATOM 496 O TRP A 32 -4.246 14.795 -12.232 1.00 0.00 O ATOM 497 CB TRP A 32 -2.520 11.943 -12.502 1.00 0.00 C ATOM 498 CG TRP A 32 -2.103 10.947 -11.466 1.00 0.00 C ATOM 499 CD1 TRP A 32 -1.949 9.616 -11.639 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.758 11.205 -10.072 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.490 9.039 -10.473 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.383 9.972 -9.459 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.728 12.366 -9.267 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.001 9.903 -8.110 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.333 12.306 -7.918 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.966 11.077 -7.342 1.00 0.00 C ATOM 0 H TRP A 32 -4.404 10.682 -13.448 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.228 12.495 -11.323 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.382 11.500 -13.488 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.856 12.806 -12.445 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.155 9.082 -12.555 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.259 8.051 -10.372 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.013 13.316 -9.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.736 8.954 -7.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.312 13.207 -7.323 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.657 11.036 -6.308 1.00 0.00 H new ATOM 517 N TYR A 33 -4.161 13.935 -14.312 1.00 0.00 N ATOM 518 CA TYR A 33 -4.239 15.211 -15.002 1.00 0.00 C ATOM 519 C TYR A 33 -5.505 15.960 -14.597 1.00 0.00 C ATOM 520 O TYR A 33 -5.416 17.133 -14.244 1.00 0.00 O ATOM 521 CB TYR A 33 -4.186 14.974 -16.516 1.00 0.00 C ATOM 522 CG TYR A 33 -4.553 16.165 -17.381 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.852 17.380 -17.278 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.625 16.058 -18.284 1.00 0.00 C ATOM 525 CE1 TYR A 33 -4.220 18.483 -18.069 1.00 0.00 C ATOM 526 CE2 TYR A 33 -6.031 17.166 -19.044 1.00 0.00 C ATOM 527 CZ TYR A 33 -5.321 18.386 -18.950 1.00 0.00 C ATOM 528 OH TYR A 33 -5.689 19.468 -19.693 1.00 0.00 O ATOM 0 H TYR A 33 -4.136 13.131 -14.939 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.389 15.832 -14.719 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.178 14.653 -16.780 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.857 14.150 -16.760 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.026 17.466 -16.587 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.141 15.115 -18.394 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.661 19.405 -18.003 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.885 17.087 -19.700 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.463 19.236 -20.248 1.00 0.00 H new ATOM 538 N TYR A 34 -6.668 15.304 -14.600 1.00 0.00 N ATOM 539 CA TYR A 34 -7.931 15.954 -14.291 1.00 0.00 C ATOM 540 C TYR A 34 -7.971 16.390 -12.824 1.00 0.00 C ATOM 541 O TYR A 34 -8.436 17.492 -12.536 1.00 0.00 O ATOM 542 CB TYR A 34 -9.102 15.007 -14.594 1.00 0.00 C ATOM 543 CG TYR A 34 -9.285 14.514 -16.027 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.672 15.139 -17.137 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.119 13.398 -16.238 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.912 14.660 -18.440 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.353 12.910 -17.535 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.754 13.543 -18.645 1.00 0.00 C ATOM 549 OH TYR A 34 -9.991 13.065 -19.899 1.00 0.00 O ATOM 0 H TYR A 34 -6.754 14.311 -14.817 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.023 16.842 -14.916 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.996 14.132 -13.953 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.022 15.510 -14.296 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.018 15.985 -16.986 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.584 12.912 -15.393 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.451 15.148 -19.286 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.991 12.051 -17.682 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.592 12.293 -19.847 1.00 0.00 H new ATOM 559 N TYR A 35 -7.476 15.559 -11.898 1.00 0.00 N ATOM 560 CA TYR A 35 -7.440 15.898 -10.480 1.00 0.00 C ATOM 561 C TYR A 35 -6.573 17.138 -10.255 1.00 0.00 C ATOM 562 O TYR A 35 -7.006 18.091 -9.605 1.00 0.00 O ATOM 563 CB TYR A 35 -6.915 14.691 -9.688 1.00 0.00 C ATOM 564 CG TYR A 35 -6.754 14.915 -8.192 1.00 0.00 C ATOM 565 CD1 TYR A 35 -7.875 15.202 -7.390 1.00 0.00 C ATOM 566 CD2 TYR A 35 -5.484 14.805 -7.592 1.00 0.00 C ATOM 567 CE1 TYR A 35 -7.729 15.379 -6.002 1.00 0.00 C ATOM 568 CE2 TYR A 35 -5.328 14.990 -6.207 1.00 0.00 C ATOM 569 CZ TYR A 35 -6.453 15.270 -5.399 1.00 0.00 C ATOM 570 OH TYR A 35 -6.300 15.416 -4.048 1.00 0.00 O ATOM 0 H TYR A 35 -7.092 14.639 -12.114 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.444 16.134 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.595 13.853 -9.842 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.950 14.399 -10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.852 15.287 -7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.622 14.576 -8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.594 15.599 -5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.347 14.918 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.355 15.308 -3.812 1.00 0.00 H new ATOM 580 N LEU A 36 -5.367 17.159 -10.826 1.00 0.00 N ATOM 581 CA LEU A 36 -4.429 18.262 -10.662 1.00 0.00 C ATOM 582 C LEU A 36 -4.983 19.513 -11.339 1.00 0.00 C ATOM 583 O LEU A 36 -4.959 20.579 -10.732 1.00 0.00 O ATOM 584 CB LEU A 36 -3.055 17.870 -11.235 1.00 0.00 C ATOM 585 CG LEU A 36 -2.086 17.197 -10.238 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.718 16.150 -9.315 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.960 16.517 -11.021 1.00 0.00 C ATOM 0 H LEU A 36 -5.016 16.406 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.299 18.481 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.211 17.194 -12.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.577 18.766 -11.631 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.732 18.001 -9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.954 15.738 -8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.501 16.617 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.149 15.349 -9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.270 16.039 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.383 15.765 -11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.424 17.262 -11.609 1.00 0.00 H new ATOM 599 N ASP A 37 -5.542 19.393 -12.543 1.00 0.00 N ATOM 600 CA ASP A 37 -6.135 20.512 -13.270 1.00 0.00 C ATOM 601 C ASP A 37 -7.294 21.137 -12.494 1.00 0.00 C ATOM 602 O ASP A 37 -7.466 22.356 -12.523 1.00 0.00 O ATOM 603 CB ASP A 37 -6.614 20.048 -14.651 1.00 0.00 C ATOM 604 CG ASP A 37 -7.371 21.160 -15.395 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.720 22.047 -15.990 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.622 21.125 -15.431 1.00 0.00 O ATOM 0 H ASP A 37 -5.596 18.507 -13.045 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.366 21.275 -13.392 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.757 19.731 -15.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.263 19.179 -14.538 1.00 0.00 H new ATOM 611 N ASP A 38 -8.063 20.322 -11.766 1.00 0.00 N ATOM 612 CA ASP A 38 -9.172 20.807 -10.947 1.00 0.00 C ATOM 613 C ASP A 38 -8.695 21.412 -9.621 1.00 0.00 C ATOM 614 O ASP A 38 -9.402 22.227 -9.026 1.00 0.00 O ATOM 615 CB ASP A 38 -10.149 19.657 -10.670 1.00 0.00 C ATOM 616 CG ASP A 38 -11.359 20.123 -9.843 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.196 20.893 -10.367 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.514 19.680 -8.682 1.00 0.00 O ATOM 0 H ASP A 38 -7.933 19.311 -11.729 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.671 21.599 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.494 19.238 -11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.630 18.859 -10.138 1.00 0.00 H new ATOM 623 N THR A 39 -7.497 21.044 -9.161 1.00 0.00 N ATOM 624 CA THR A 39 -7.028 21.372 -7.818 1.00 0.00 C ATOM 625 C THR A 39 -6.048 22.551 -7.797 1.00 0.00 C ATOM 626 O THR A 39 -6.147 23.417 -6.926 1.00 0.00 O ATOM 627 CB THR A 39 -6.390 20.106 -7.221 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.344 19.069 -7.133 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.801 20.364 -5.838 1.00 0.00 C ATOM 0 H THR A 39 -6.826 20.509 -9.712 1.00 0.00 H new ATOM 0 HA THR A 39 -7.878 21.695 -7.217 1.00 0.00 H new ATOM 0 HB THR A 39 -5.581 19.810 -7.889 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.270 18.489 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.361 19.444 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.032 21.133 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.589 20.699 -5.164 1.00 0.00 H new ATOM 637 N LEU A 40 -5.082 22.573 -8.716 1.00 0.00 N ATOM 638 CA LEU A 40 -3.960 23.502 -8.685 1.00 0.00 C ATOM 639 C LEU A 40 -4.451 24.916 -9.006 1.00 0.00 C ATOM 640 O LEU A 40 -5.059 25.146 -10.052 1.00 0.00 O ATOM 641 CB LEU A 40 -2.897 23.064 -9.707 1.00 0.00 C ATOM 642 CG LEU A 40 -2.195 21.719 -9.424 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.425 21.279 -10.676 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.215 21.771 -8.253 1.00 0.00 C ATOM 0 H LEU A 40 -5.060 21.936 -9.512 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.516 23.501 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.368 23.005 -10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.136 23.842 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.981 21.012 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.927 20.329 -10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.120 21.161 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.681 22.034 -10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.761 20.790 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.437 22.505 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.747 22.056 -7.345 1.00 0.00 H new ATOM 656 N GLU A 41 -4.139 25.879 -8.141 1.00 0.00 N ATOM 657 CA GLU A 41 -4.512 27.286 -8.272 1.00 0.00 C ATOM 658 C GLU A 41 -3.488 28.034 -9.150 1.00 0.00 C ATOM 659 O GLU A 41 -3.027 29.122 -8.796 1.00 0.00 O ATOM 660 CB GLU A 41 -4.661 27.911 -6.867 1.00 0.00 C ATOM 661 CG GLU A 41 -5.837 27.348 -6.051 1.00 0.00 C ATOM 662 CD GLU A 41 -7.201 27.793 -6.614 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.680 28.893 -6.253 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.819 27.050 -7.409 1.00 0.00 O ATOM 0 H GLU A 41 -3.598 25.693 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.475 27.372 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.737 27.752 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.788 28.988 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.785 26.259 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.749 27.676 -5.015 1.00 0.00 H new ATOM 671 N PHE A 42 -3.071 27.438 -10.274 1.00 0.00 N ATOM 672 CA PHE A 42 -2.232 28.124 -11.258 1.00 0.00 C ATOM 673 C PHE A 42 -2.982 29.336 -11.856 1.00 0.00 C ATOM 674 O PHE A 42 -4.219 29.341 -11.842 1.00 0.00 O ATOM 675 CB PHE A 42 -1.750 27.133 -12.332 1.00 0.00 C ATOM 676 CG PHE A 42 -2.813 26.261 -12.979 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.765 26.817 -13.857 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.807 24.871 -12.755 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.726 25.995 -14.471 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.772 24.050 -13.363 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.735 24.613 -14.216 1.00 0.00 C ATOM 0 H PHE A 42 -3.304 26.477 -10.523 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.342 28.516 -10.765 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.249 27.699 -13.117 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.001 26.481 -11.882 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.756 27.878 -14.059 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.057 24.434 -12.113 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.457 26.426 -15.139 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.773 22.987 -13.174 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.483 23.984 -14.676 1.00 0.00 H new ATOM 691 N PRO A 43 -2.291 30.346 -12.426 1.00 0.00 N ATOM 692 CA PRO A 43 -0.837 30.518 -12.451 1.00 0.00 C ATOM 693 C PRO A 43 -0.284 30.775 -11.044 1.00 0.00 C ATOM 694 O PRO A 43 -0.962 31.381 -10.210 1.00 0.00 O ATOM 695 CB PRO A 43 -0.596 31.723 -13.369 1.00 0.00 C ATOM 696 CG PRO A 43 -1.863 32.559 -13.221 1.00 0.00 C ATOM 697 CD PRO A 43 -2.942 31.493 -13.045 1.00 0.00 C ATOM 0 HA PRO A 43 -0.328 29.624 -12.811 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.289 32.283 -13.068 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.441 31.413 -14.402 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.810 33.228 -12.362 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.045 33.180 -14.098 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.754 31.863 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.378 31.220 -14.006 1.00 0.00 H new ATOM 705 N PHE A 44 0.942 30.318 -10.775 1.00 0.00 N ATOM 706 CA PHE A 44 1.605 30.520 -9.486 1.00 0.00 C ATOM 707 C PHE A 44 3.118 30.565 -9.685 1.00 0.00 C ATOM 708 O PHE A 44 3.621 30.105 -10.705 1.00 0.00 O ATOM 709 CB PHE A 44 1.189 29.444 -8.463 1.00 0.00 C ATOM 710 CG PHE A 44 1.436 27.976 -8.798 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.745 27.465 -8.865 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.353 27.084 -8.925 1.00 0.00 C ATOM 713 CE1 PHE A 44 2.978 26.096 -9.067 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.582 25.712 -9.144 1.00 0.00 C ATOM 715 CZ PHE A 44 1.894 25.215 -9.213 1.00 0.00 C ATOM 0 H PHE A 44 1.504 29.796 -11.448 1.00 0.00 H new ATOM 0 HA PHE A 44 1.287 31.477 -9.073 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.706 29.660 -7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.122 29.564 -8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.584 28.137 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.659 27.455 -8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.990 25.720 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.255 25.039 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.068 24.162 -9.377 1.00 0.00 H new ATOM 725 N MET A 45 3.865 31.094 -8.720 1.00 0.00 N ATOM 726 CA MET A 45 5.324 31.068 -8.764 1.00 0.00 C ATOM 727 C MET A 45 5.810 29.707 -8.261 1.00 0.00 C ATOM 728 O MET A 45 5.213 29.143 -7.343 1.00 0.00 O ATOM 729 CB MET A 45 5.843 32.205 -7.873 1.00 0.00 C ATOM 730 CG MET A 45 7.365 32.351 -7.905 1.00 0.00 C ATOM 731 SD MET A 45 7.986 33.541 -6.692 1.00 0.00 S ATOM 732 CE MET A 45 9.752 33.302 -6.991 1.00 0.00 C ATOM 0 H MET A 45 3.480 31.549 -7.892 1.00 0.00 H new ATOM 0 HA MET A 45 5.695 31.209 -9.779 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.388 33.143 -8.191 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.523 32.028 -6.846 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.822 31.379 -7.719 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.674 32.663 -8.903 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.324 33.801 -6.209 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.981 32.236 -6.984 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.017 33.724 -7.960 1.00 0.00 H new ATOM 742 N GLY A 46 6.916 29.186 -8.792 1.00 0.00 N ATOM 743 CA GLY A 46 7.537 27.987 -8.267 1.00 0.00 C ATOM 744 C GLY A 46 9.024 27.974 -8.567 1.00 0.00 C ATOM 745 O GLY A 46 9.538 28.793 -9.332 1.00 0.00 O ATOM 0 H GLY A 46 7.399 29.587 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.378 27.932 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.066 27.107 -8.704 1.00 0.00 H new ATOM 749 N LYS A 47 9.724 27.035 -7.947 1.00 0.00 N ATOM 750 CA LYS A 47 11.108 26.734 -8.282 1.00 0.00 C ATOM 751 C LYS A 47 11.090 25.485 -9.155 1.00 0.00 C ATOM 752 O LYS A 47 10.564 24.454 -8.734 1.00 0.00 O ATOM 753 CB LYS A 47 11.926 26.511 -6.995 1.00 0.00 C ATOM 754 CG LYS A 47 13.440 26.534 -7.256 1.00 0.00 C ATOM 755 CD LYS A 47 14.005 27.948 -7.475 1.00 0.00 C ATOM 756 CE LYS A 47 14.086 28.757 -6.174 1.00 0.00 C ATOM 757 NZ LYS A 47 15.079 29.850 -6.286 1.00 0.00 N ATOM 0 H LYS A 47 9.347 26.459 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 47 11.578 27.558 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.673 27.283 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.650 25.554 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.953 26.073 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.659 25.924 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.999 27.874 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.378 28.479 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.107 29.174 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.357 28.098 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.995 30.481 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.037 29.447 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.903 30.391 -7.157 1.00 0.00 H new ATOM 771 N TRP A 48 11.628 25.570 -10.368 1.00 0.00 N ATOM 772 CA TRP A 48 11.879 24.411 -11.206 1.00 0.00 C ATOM 773 C TRP A 48 13.229 23.875 -10.728 1.00 0.00 C ATOM 774 O TRP A 48 14.275 24.439 -11.037 1.00 0.00 O ATOM 775 CB TRP A 48 11.870 24.799 -12.697 1.00 0.00 C ATOM 776 CG TRP A 48 12.096 23.693 -13.692 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.298 22.390 -13.398 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.146 23.762 -15.154 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.484 21.658 -14.547 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.413 22.455 -15.667 1.00 0.00 C ATOM 781 CE3 TRP A 48 11.974 24.792 -16.104 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.526 22.191 -17.041 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.080 24.539 -17.486 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.359 23.244 -17.955 1.00 0.00 C ATOM 0 H TRP A 48 11.903 26.454 -10.797 1.00 0.00 H new ATOM 0 HA TRP A 48 11.108 23.645 -11.121 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.910 25.264 -12.920 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.636 25.558 -12.854 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.312 21.980 -12.399 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.653 20.652 -14.567 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.757 25.794 -15.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.739 21.191 -17.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.946 25.347 -18.190 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.445 23.059 -19.016 1.00 0.00 H new ATOM 795 N LYS A 49 13.221 22.820 -9.920 1.00 0.00 N ATOM 796 CA LYS A 49 14.406 22.125 -9.426 1.00 0.00 C ATOM 797 C LYS A 49 14.797 21.071 -10.468 1.00 0.00 C ATOM 798 O LYS A 49 14.574 19.878 -10.263 1.00 0.00 O ATOM 799 CB LYS A 49 14.072 21.509 -8.053 1.00 0.00 C ATOM 800 CG LYS A 49 14.178 22.549 -6.931 1.00 0.00 C ATOM 801 CD LYS A 49 13.895 21.902 -5.569 1.00 0.00 C ATOM 802 CE LYS A 49 14.381 22.822 -4.444 1.00 0.00 C ATOM 803 NZ LYS A 49 14.037 22.289 -3.104 1.00 0.00 N ATOM 0 H LYS A 49 12.353 22.408 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 49 15.254 22.795 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.064 21.096 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.751 20.681 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.174 22.991 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.470 23.359 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.827 21.714 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.397 20.937 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.461 22.946 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.937 23.810 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.551 22.824 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.014 22.384 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.304 21.285 -3.050 1.00 0.00 H new ATOM 817 N LYS A 50 15.289 21.516 -11.628 1.00 0.00 N ATOM 818 CA LYS A 50 15.528 20.633 -12.767 1.00 0.00 C ATOM 819 C LYS A 50 16.549 19.551 -12.400 1.00 0.00 C ATOM 820 O LYS A 50 17.725 19.868 -12.184 1.00 0.00 O ATOM 821 CB LYS A 50 15.987 21.451 -13.983 1.00 0.00 C ATOM 822 CG LYS A 50 16.029 20.565 -15.236 1.00 0.00 C ATOM 823 CD LYS A 50 16.898 21.189 -16.333 1.00 0.00 C ATOM 824 CE LYS A 50 17.296 20.158 -17.400 1.00 0.00 C ATOM 825 NZ LYS A 50 18.166 19.084 -16.852 1.00 0.00 N ATOM 0 H LYS A 50 15.530 22.492 -11.801 1.00 0.00 H new ATOM 0 HA LYS A 50 14.597 20.132 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.308 22.288 -14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.974 21.873 -13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.420 19.582 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.017 20.416 -15.612 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.356 22.009 -16.804 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.796 21.616 -15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.396 19.712 -17.824 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.816 20.663 -18.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.664 18.609 -17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.861 19.499 -16.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.582 18.391 -16.341 1.00 0.00 H new ATOM 957 N ILE A 58 20.618 19.186 -9.015 1.00 0.00 N ATOM 958 CA ILE A 58 19.422 20.017 -9.048 1.00 0.00 C ATOM 959 C ILE A 58 19.875 21.384 -9.545 1.00 0.00 C ATOM 960 O ILE A 58 20.475 22.167 -8.807 1.00 0.00 O ATOM 961 CB ILE A 58 18.720 20.011 -7.669 1.00 0.00 C ATOM 962 CG1 ILE A 58 18.148 18.612 -7.329 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.620 21.084 -7.575 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.972 18.130 -8.192 1.00 0.00 C ATOM 0 HA ILE A 58 18.655 19.644 -9.726 1.00 0.00 H new ATOM 0 HB ILE A 58 19.483 20.256 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.954 17.883 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.828 18.617 -6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.155 21.043 -6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.059 22.070 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.866 20.900 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.659 17.140 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.139 18.826 -8.094 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.283 18.081 -9.236 1.00 0.00 H new ATOM 976 N GLU A 59 19.615 21.641 -10.824 1.00 0.00 N ATOM 977 CA GLU A 59 19.780 22.948 -11.432 1.00 0.00 C ATOM 978 C GLU A 59 18.470 23.684 -11.153 1.00 0.00 C ATOM 979 O GLU A 59 17.502 23.574 -11.909 1.00 0.00 O ATOM 980 CB GLU A 59 20.080 22.804 -12.935 1.00 0.00 C ATOM 981 CG GLU A 59 21.479 22.234 -13.221 1.00 0.00 C ATOM 982 CD GLU A 59 22.600 23.223 -12.851 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.909 24.128 -13.659 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.198 23.099 -11.759 1.00 0.00 O ATOM 0 H GLU A 59 19.278 20.931 -11.474 1.00 0.00 H new ATOM 0 HA GLU A 59 20.624 23.505 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.331 22.155 -13.388 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.987 23.779 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.614 21.309 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.556 21.980 -14.278 1.00 0.00 H new ATOM 991 N GLU A 60 18.391 24.356 -10.002 1.00 0.00 N ATOM 992 CA GLU A 60 17.211 25.145 -9.683 1.00 0.00 C ATOM 993 C GLU A 60 17.099 26.346 -10.637 1.00 0.00 C ATOM 994 O GLU A 60 18.103 26.872 -11.132 1.00 0.00 O ATOM 995 CB GLU A 60 17.146 25.516 -8.195 1.00 0.00 C ATOM 996 CG GLU A 60 18.190 26.557 -7.808 1.00 0.00 C ATOM 997 CD GLU A 60 17.968 27.130 -6.399 1.00 0.00 C ATOM 998 OE1 GLU A 60 18.427 26.520 -5.405 1.00 0.00 O ATOM 999 OE2 GLU A 60 17.349 28.214 -6.285 1.00 0.00 O ATOM 0 H GLU A 60 19.120 24.367 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 60 16.324 24.533 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.152 25.898 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.291 24.619 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.181 26.107 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.171 27.371 -8.533 1.00 0.00 H new ATOM 1006 N LYS A 61 15.868 26.793 -10.872 1.00 0.00 N ATOM 1007 CA LYS A 61 15.513 27.922 -11.719 1.00 0.00 C ATOM 1008 C LYS A 61 14.231 28.483 -11.118 1.00 0.00 C ATOM 1009 O LYS A 61 13.383 27.707 -10.678 1.00 0.00 O ATOM 1010 CB LYS A 61 15.294 27.380 -13.142 1.00 0.00 C ATOM 1011 CG LYS A 61 14.760 28.417 -14.141 1.00 0.00 C ATOM 1012 CD LYS A 61 14.309 27.743 -15.447 1.00 0.00 C ATOM 1013 CE LYS A 61 15.439 27.113 -16.274 1.00 0.00 C ATOM 1014 NZ LYS A 61 16.460 28.110 -16.689 1.00 0.00 N ATOM 0 H LYS A 61 15.049 26.352 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 61 16.273 28.702 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.238 26.985 -13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.595 26.545 -13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.923 28.956 -13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.535 29.153 -14.356 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.580 26.969 -15.206 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.797 28.483 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.918 26.327 -15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.017 26.639 -17.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.833 27.855 -17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.025 29.054 -16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.237 28.120 -15.998 1.00 0.00 H new ATOM 1028 N THR A 62 14.064 29.799 -11.086 1.00 0.00 N ATOM 1029 CA THR A 62 12.899 30.420 -10.466 1.00 0.00 C ATOM 1030 C THR A 62 11.926 30.768 -11.594 1.00 0.00 C ATOM 1031 O THR A 62 12.307 31.444 -12.553 1.00 0.00 O ATOM 1032 CB THR A 62 13.371 31.611 -9.618 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.449 31.208 -8.782 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.261 32.107 -8.700 1.00 0.00 C ATOM 0 H THR A 62 14.727 30.463 -11.486 1.00 0.00 H new ATOM 0 HA THR A 62 12.367 29.767 -9.775 1.00 0.00 H new ATOM 0 HB THR A 62 13.671 32.401 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.748 31.970 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.624 32.950 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.407 32.424 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.956 31.303 -8.031 1.00 0.00 H new ATOM 1042 N VAL A 63 10.684 30.283 -11.514 1.00 0.00 N ATOM 1043 CA VAL A 63 9.741 30.350 -12.621 1.00 0.00 C ATOM 1044 C VAL A 63 8.358 30.789 -12.145 1.00 0.00 C ATOM 1045 O VAL A 63 8.011 30.693 -10.967 1.00 0.00 O ATOM 1046 CB VAL A 63 9.671 28.992 -13.365 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.041 28.500 -13.856 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.052 27.853 -12.538 1.00 0.00 C ATOM 0 H VAL A 63 10.309 29.834 -10.678 1.00 0.00 H new ATOM 0 HA VAL A 63 10.100 31.102 -13.323 1.00 0.00 H new ATOM 0 HB VAL A 63 9.023 29.216 -14.212 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.923 27.545 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.465 29.231 -14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.709 28.374 -13.004 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.040 26.938 -13.130 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.644 27.694 -11.637 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.032 28.118 -12.260 1.00 0.00 H new ATOM 1058 N GLU A 64 7.549 31.245 -13.090 1.00 0.00 N ATOM 1059 CA GLU A 64 6.129 31.501 -12.908 1.00 0.00 C ATOM 1060 C GLU A 64 5.426 30.456 -13.769 1.00 0.00 C ATOM 1061 O GLU A 64 5.602 30.453 -14.985 1.00 0.00 O ATOM 1062 CB GLU A 64 5.786 32.946 -13.302 1.00 0.00 C ATOM 1063 CG GLU A 64 4.294 33.239 -13.087 1.00 0.00 C ATOM 1064 CD GLU A 64 3.970 34.724 -13.325 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.757 35.131 -14.490 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.905 35.500 -12.345 1.00 0.00 O ATOM 0 H GLU A 64 7.874 31.453 -14.034 1.00 0.00 H new ATOM 0 HA GLU A 64 5.808 31.414 -11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.385 33.639 -12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.045 33.112 -14.348 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.700 32.623 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.011 32.962 -12.072 1.00 0.00 H new ATOM 1073 N VAL A 65 4.709 29.517 -13.155 1.00 0.00 N ATOM 1074 CA VAL A 65 3.910 28.542 -13.890 1.00 0.00 C ATOM 1075 C VAL A 65 2.674 29.258 -14.431 1.00 0.00 C ATOM 1076 O VAL A 65 2.097 30.105 -13.741 1.00 0.00 O ATOM 1077 CB VAL A 65 3.576 27.272 -13.067 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.716 26.859 -12.115 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.249 27.300 -12.300 1.00 0.00 C ATOM 0 H VAL A 65 4.666 29.412 -12.141 1.00 0.00 H new ATOM 0 HA VAL A 65 4.495 28.153 -14.724 1.00 0.00 H new ATOM 0 HB VAL A 65 3.458 26.517 -13.844 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.425 25.964 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.616 26.653 -12.694 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.914 27.668 -11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.120 26.361 -11.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.256 28.128 -11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.426 27.431 -13.002 1.00 0.00 H new ATOM 1089 N LEU A 66 2.238 28.887 -15.635 1.00 0.00 N ATOM 1090 CA LEU A 66 1.080 29.489 -16.288 1.00 0.00 C ATOM 1091 C LEU A 66 -0.131 28.559 -16.196 1.00 0.00 C ATOM 1092 O LEU A 66 -1.267 29.031 -16.228 1.00 0.00 O ATOM 1093 CB LEU A 66 1.372 29.826 -17.764 1.00 0.00 C ATOM 1094 CG LEU A 66 2.510 30.829 -18.063 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.528 32.034 -17.114 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.888 30.161 -18.061 1.00 0.00 C ATOM 0 H LEU A 66 2.684 28.154 -16.187 1.00 0.00 H new ATOM 0 HA LEU A 66 0.858 30.420 -15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.602 28.894 -18.281 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.456 30.218 -18.206 1.00 0.00 H new ATOM 0 HG LEU A 66 2.294 31.198 -19.066 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.352 32.696 -17.382 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.586 32.576 -17.196 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.659 31.688 -16.089 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.654 30.906 -18.276 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.076 29.719 -17.083 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.916 29.382 -18.823 1.00 0.00 H new ATOM 1108 N GLY A 67 0.097 27.249 -16.070 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.929 26.229 -16.056 1.00 0.00 C ATOM 1110 C GLY A 67 -0.291 24.886 -16.376 1.00 0.00 C ATOM 1111 O GLY A 67 0.898 24.811 -16.701 1.00 0.00 O ATOM 0 H GLY A 67 1.038 26.867 -15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.413 26.194 -15.080 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.703 26.463 -16.787 1.00 0.00 H new ATOM 1115 N MET A 68 -1.076 23.819 -16.275 1.00 0.00 N ATOM 1116 CA MET A 68 -0.659 22.508 -16.762 1.00 0.00 C ATOM 1117 C MET A 68 -0.500 22.561 -18.283 1.00 0.00 C ATOM 1118 O MET A 68 -1.163 23.349 -18.966 1.00 0.00 O ATOM 1119 CB MET A 68 -1.644 21.410 -16.349 1.00 0.00 C ATOM 1120 CG MET A 68 -1.608 21.190 -14.834 1.00 0.00 C ATOM 1121 SD MET A 68 -2.591 19.778 -14.273 1.00 0.00 S ATOM 1122 CE MET A 68 -1.426 18.427 -14.593 1.00 0.00 C ATOM 0 H MET A 68 -2.007 23.836 -15.859 1.00 0.00 H new ATOM 0 HA MET A 68 0.300 22.257 -16.308 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.653 21.685 -16.657 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.396 20.481 -16.862 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.573 21.046 -14.522 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.968 22.091 -14.337 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.835 17.494 -14.204 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.265 18.332 -15.667 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.477 18.641 -14.101 1.00 0.00 H new ATOM 1132 N ALA A 69 0.376 21.703 -18.806 1.00 0.00 N ATOM 1133 CA ALA A 69 0.495 21.469 -20.240 1.00 0.00 C ATOM 1134 C ALA A 69 -0.824 20.887 -20.800 1.00 0.00 C ATOM 1135 O ALA A 69 -1.669 20.437 -20.019 1.00 0.00 O ATOM 1136 CB ALA A 69 1.679 20.526 -20.473 1.00 0.00 C ATOM 0 H ALA A 69 1.023 21.151 -18.243 1.00 0.00 H new ATOM 0 HA ALA A 69 0.677 22.405 -20.768 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.788 20.336 -21.541 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.591 20.986 -20.091 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.502 19.584 -19.953 1.00 0.00 H new ATOM 1142 N PRO A 70 -1.022 20.870 -22.133 1.00 0.00 N ATOM 1143 CA PRO A 70 -2.164 20.210 -22.760 1.00 0.00 C ATOM 1144 C PRO A 70 -2.320 18.749 -22.324 1.00 0.00 C ATOM 1145 O PRO A 70 -1.343 18.088 -21.959 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.918 20.303 -24.270 1.00 0.00 C ATOM 1147 CG PRO A 70 -1.046 21.548 -24.410 1.00 0.00 C ATOM 1148 CD PRO A 70 -0.189 21.500 -23.147 1.00 0.00 C ATOM 0 HA PRO A 70 -3.092 20.697 -22.460 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.414 19.415 -24.651 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.852 20.402 -24.824 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.438 21.517 -25.314 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.644 22.458 -24.459 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.724 20.929 -23.314 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.113 22.501 -22.840 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.533 18.210 -22.457 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.821 16.798 -22.206 1.00 0.00 C ATOM 1158 C ASP A 71 -2.948 15.868 -23.055 1.00 0.00 C ATOM 1159 O ASP A 71 -2.597 14.786 -22.596 1.00 0.00 O ATOM 1160 CB ASP A 71 -5.307 16.481 -22.427 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.665 16.226 -23.902 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.723 17.200 -24.685 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.929 15.062 -24.277 1.00 0.00 O ATOM 0 H ASP A 71 -4.351 18.747 -22.745 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.579 16.615 -21.159 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.575 15.603 -21.839 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.907 17.311 -22.053 1.00 0.00 H new ATOM 1168 N ASP A 72 -2.541 16.293 -24.257 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.673 15.499 -25.131 1.00 0.00 C ATOM 1170 C ASP A 72 -0.290 15.282 -24.512 1.00 0.00 C ATOM 1171 O ASP A 72 0.334 14.237 -24.706 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.527 16.179 -26.495 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.640 15.341 -27.432 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -1.110 14.297 -27.937 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.513 15.742 -27.704 1.00 0.00 O ATOM 0 H ASP A 72 -2.805 17.197 -24.650 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.143 14.524 -25.258 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.510 16.317 -26.945 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.093 17.171 -26.367 1.00 0.00 H new ATOM 1180 N GLU A 73 0.183 16.251 -23.727 1.00 0.00 N ATOM 1181 CA GLU A 73 1.410 16.119 -22.954 1.00 0.00 C ATOM 1182 C GLU A 73 1.096 15.347 -21.676 1.00 0.00 C ATOM 1183 O GLU A 73 1.819 14.415 -21.326 1.00 0.00 O ATOM 1184 CB GLU A 73 2.004 17.504 -22.644 1.00 0.00 C ATOM 1185 CG GLU A 73 2.456 18.278 -23.893 1.00 0.00 C ATOM 1186 CD GLU A 73 3.661 17.623 -24.593 1.00 0.00 C ATOM 1187 OE1 GLU A 73 3.480 16.606 -25.300 1.00 0.00 O ATOM 1188 OE2 GLU A 73 4.797 18.130 -24.453 1.00 0.00 O ATOM 0 H GLU A 73 -0.280 17.153 -23.612 1.00 0.00 H new ATOM 0 HA GLU A 73 2.158 15.572 -23.528 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.261 18.096 -22.110 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.856 17.382 -21.975 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.625 18.344 -24.595 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.716 19.298 -23.609 1.00 0.00 H new ATOM 1195 N CYS A 74 -0.023 15.664 -21.019 1.00 0.00 N ATOM 1196 CA CYS A 74 -0.390 15.066 -19.742 1.00 0.00 C ATOM 1197 C CYS A 74 -0.818 13.594 -19.829 1.00 0.00 C ATOM 1198 O CYS A 74 -1.184 13.001 -18.817 1.00 0.00 O ATOM 1199 CB CYS A 74 -1.390 15.944 -18.992 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.669 17.593 -18.738 1.00 0.00 S ATOM 0 H CYS A 74 -0.699 16.346 -21.363 1.00 0.00 H new ATOM 0 HA CYS A 74 0.524 15.030 -19.149 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.318 16.023 -19.558 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.640 15.492 -18.032 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.332 18.468 -19.434 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.767 12.997 -21.020 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.920 11.562 -21.255 1.00 0.00 C ATOM 1208 C LEU A 75 0.408 10.832 -21.024 1.00 0.00 C ATOM 1209 O LEU A 75 0.412 9.606 -20.903 1.00 0.00 O ATOM 1210 CB LEU A 75 -1.360 11.321 -22.713 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.882 11.396 -22.925 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -3.184 11.507 -24.421 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -3.590 10.160 -22.356 1.00 0.00 C ATOM 0 H LEU A 75 -0.612 13.521 -21.881 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.670 11.181 -20.562 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.877 12.058 -23.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.006 10.340 -23.032 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.253 12.275 -22.398 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.262 11.560 -24.572 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.717 12.407 -24.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.788 10.633 -24.938 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.664 10.247 -22.523 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.216 9.265 -22.854 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.394 10.089 -21.286 1.00 0.00 H new ATOM 1225 N LYS A 76 1.530 11.560 -20.988 1.00 0.00 N ATOM 1226 CA LYS A 76 2.876 10.992 -20.994 1.00 0.00 C ATOM 1227 C LYS A 76 3.555 11.196 -19.646 1.00 0.00 C ATOM 1228 O LYS A 76 4.234 10.285 -19.173 1.00 0.00 O ATOM 1229 CB LYS A 76 3.698 11.604 -22.144 1.00 0.00 C ATOM 1230 CG LYS A 76 3.080 11.317 -23.528 1.00 0.00 C ATOM 1231 CD LYS A 76 3.988 11.756 -24.687 1.00 0.00 C ATOM 1232 CE LYS A 76 4.122 13.281 -24.832 1.00 0.00 C ATOM 1233 NZ LYS A 76 2.998 13.903 -25.575 1.00 0.00 N ATOM 0 H LYS A 76 1.524 12.579 -20.953 1.00 0.00 H new ATOM 0 HA LYS A 76 2.808 9.917 -21.161 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.773 12.682 -21.999 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.713 11.207 -22.113 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.876 10.250 -23.616 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.122 11.832 -23.607 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.979 11.326 -24.542 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.596 11.346 -25.618 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.184 13.729 -23.840 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.057 13.509 -25.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.220 14.900 -25.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.854 13.398 -26.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.131 13.847 -25.003 1.00 0.00 H new ATOM 1247 N ASP A 77 3.342 12.343 -19.004 1.00 0.00 N ATOM 1248 CA ASP A 77 3.787 12.641 -17.639 1.00 0.00 C ATOM 1249 C ASP A 77 3.012 13.875 -17.170 1.00 0.00 C ATOM 1250 O ASP A 77 2.340 14.499 -17.990 1.00 0.00 O ATOM 1251 CB ASP A 77 5.301 12.925 -17.602 1.00 0.00 C ATOM 1252 CG ASP A 77 5.916 12.790 -16.203 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.183 12.473 -15.240 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.148 12.966 -16.080 1.00 0.00 O ATOM 0 H ASP A 77 2.838 13.119 -19.433 1.00 0.00 H new ATOM 0 HA ASP A 77 3.600 11.787 -16.988 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.808 12.239 -18.281 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.482 13.933 -17.974 1.00 0.00 H new ATOM 1259 N MET A 78 3.077 14.269 -15.898 1.00 0.00 N ATOM 1260 CA MET A 78 2.498 15.547 -15.480 1.00 0.00 C ATOM 1261 C MET A 78 3.485 16.656 -15.839 1.00 0.00 C ATOM 1262 O MET A 78 4.651 16.605 -15.436 1.00 0.00 O ATOM 1263 CB MET A 78 2.179 15.564 -13.979 1.00 0.00 C ATOM 1264 CG MET A 78 1.059 14.595 -13.585 1.00 0.00 C ATOM 1265 SD MET A 78 -0.548 14.847 -14.395 1.00 0.00 S ATOM 1266 CE MET A 78 -0.504 13.490 -15.598 1.00 0.00 C ATOM 0 H MET A 78 3.517 13.733 -15.150 1.00 0.00 H new ATOM 0 HA MET A 78 1.552 15.701 -15.999 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.081 15.312 -13.420 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.895 16.575 -13.687 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.394 13.580 -13.799 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.913 14.662 -12.507 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.090 13.763 -16.476 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.527 13.301 -15.895 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.923 12.590 -15.147 1.00 0.00 H new ATOM 1276 N TYR A 79 3.017 17.684 -16.551 1.00 0.00 N ATOM 1277 CA TYR A 79 3.839 18.799 -17.007 1.00 0.00 C ATOM 1278 C TYR A 79 3.084 20.115 -16.832 1.00 0.00 C ATOM 1279 O TYR A 79 1.851 20.142 -16.785 1.00 0.00 O ATOM 1280 CB TYR A 79 4.211 18.651 -18.491 1.00 0.00 C ATOM 1281 CG TYR A 79 4.918 17.391 -18.956 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.319 17.263 -18.856 1.00 0.00 C ATOM 1283 CD2 TYR A 79 4.177 16.402 -19.626 1.00 0.00 C ATOM 1284 CE1 TYR A 79 6.973 16.158 -19.439 1.00 0.00 C ATOM 1285 CE2 TYR A 79 4.823 15.310 -20.223 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.225 15.180 -20.137 1.00 0.00 C ATOM 1287 OH TYR A 79 6.816 14.092 -20.710 1.00 0.00 O ATOM 0 H TYR A 79 2.039 17.763 -16.830 1.00 0.00 H new ATOM 0 HA TYR A 79 4.749 18.798 -16.407 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.292 18.744 -19.070 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.843 19.499 -18.757 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.892 18.013 -18.332 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.102 16.484 -19.681 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.045 16.058 -19.353 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.245 14.566 -20.751 1.00 0.00 H new ATOM 0 HH TYR A 79 6.133 13.538 -21.141 1.00 0.00 H new ATOM 1297 N VAL A 80 3.835 21.211 -16.788 1.00 0.00 N ATOM 1298 CA VAL A 80 3.343 22.560 -16.573 1.00 0.00 C ATOM 1299 C VAL A 80 4.104 23.488 -17.511 1.00 0.00 C ATOM 1300 O VAL A 80 5.295 23.291 -17.760 1.00 0.00 O ATOM 1301 CB VAL A 80 3.497 22.974 -15.091 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.386 22.375 -14.218 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.852 22.579 -14.477 1.00 0.00 C ATOM 0 H VAL A 80 4.847 21.177 -16.907 1.00 0.00 H new ATOM 0 HA VAL A 80 2.277 22.619 -16.794 1.00 0.00 H new ATOM 0 HB VAL A 80 3.429 24.062 -15.102 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.528 22.688 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.416 22.724 -14.573 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.424 21.287 -14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.888 22.901 -13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.972 21.497 -14.526 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.657 23.059 -15.033 1.00 0.00 H new ATOM 1313 N GLU A 81 3.411 24.483 -18.051 1.00 0.00 N ATOM 1314 CA GLU A 81 4.025 25.563 -18.802 1.00 0.00 C ATOM 1315 C GLU A 81 4.570 26.549 -17.772 1.00 0.00 C ATOM 1316 O GLU A 81 3.874 26.866 -16.802 1.00 0.00 O ATOM 1317 CB GLU A 81 2.987 26.235 -19.710 1.00 0.00 C ATOM 1318 CG GLU A 81 2.509 25.296 -20.827 1.00 0.00 C ATOM 1319 CD GLU A 81 1.586 26.024 -21.820 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.382 26.200 -21.527 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.050 26.410 -22.917 1.00 0.00 O ATOM 0 H GLU A 81 2.397 24.561 -17.977 1.00 0.00 H new ATOM 0 HA GLU A 81 4.824 25.197 -19.448 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.133 26.552 -19.112 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.418 27.134 -20.151 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.371 24.893 -21.359 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.979 24.449 -20.390 1.00 0.00 H new ATOM 1328 N VAL A 82 5.795 27.033 -17.967 1.00 0.00 N ATOM 1329 CA VAL A 82 6.485 27.882 -17.002 1.00 0.00 C ATOM 1330 C VAL A 82 7.233 28.999 -17.731 1.00 0.00 C ATOM 1331 O VAL A 82 7.702 28.796 -18.847 1.00 0.00 O ATOM 1332 CB VAL A 82 7.412 27.035 -16.098 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.674 25.891 -15.385 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.620 26.429 -16.831 1.00 0.00 C ATOM 0 H VAL A 82 6.341 26.844 -18.808 1.00 0.00 H new ATOM 0 HA VAL A 82 5.755 28.355 -16.345 1.00 0.00 H new ATOM 0 HB VAL A 82 7.772 27.759 -15.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.378 25.334 -14.766 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.885 26.303 -14.756 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.235 25.223 -16.126 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.219 25.851 -16.128 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.270 25.777 -17.632 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.228 27.229 -17.254 1.00 0.00 H new ATOM 1344 N ALA A 83 7.382 30.165 -17.107 1.00 0.00 N ATOM 1345 CA ALA A 83 8.121 31.302 -17.635 1.00 0.00 C ATOM 1346 C ALA A 83 9.305 31.517 -16.706 1.00 0.00 C ATOM 1347 O ALA A 83 9.128 31.617 -15.491 1.00 0.00 O ATOM 1348 CB ALA A 83 7.225 32.544 -17.682 1.00 0.00 C ATOM 0 H ALA A 83 6.977 30.347 -16.189 1.00 0.00 H new ATOM 0 HA ALA A 83 8.460 31.118 -18.654 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.791 33.386 -18.079 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.366 32.349 -18.324 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.879 32.781 -16.676 1.00 0.00 H new ATOM 1354 N ASP A 84 10.512 31.543 -17.264 1.00 0.00 N ATOM 1355 CA ASP A 84 11.744 31.649 -16.491 1.00 0.00 C ATOM 1356 C ASP A 84 11.959 33.098 -16.072 1.00 0.00 C ATOM 1357 O ASP A 84 12.419 33.918 -16.870 1.00 0.00 O ATOM 1358 CB ASP A 84 12.924 31.111 -17.309 1.00 0.00 C ATOM 1359 CG ASP A 84 14.266 31.130 -16.558 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.342 31.643 -15.421 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.239 30.571 -17.117 1.00 0.00 O ATOM 0 H ASP A 84 10.663 31.491 -18.271 1.00 0.00 H new ATOM 0 HA ASP A 84 11.668 31.044 -15.587 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.705 30.088 -17.614 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.021 31.702 -18.220 1.00 0.00 H new ATOM 1366 N ILE A 85 11.605 33.422 -14.828 1.00 0.00 N ATOM 1367 CA ILE A 85 11.700 34.769 -14.272 1.00 0.00 C ATOM 1368 C ILE A 85 13.171 35.237 -14.283 1.00 0.00 C ATOM 1369 O ILE A 85 13.438 36.436 -14.381 1.00 0.00 O ATOM 1370 CB ILE A 85 11.080 34.809 -12.848 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.663 34.183 -12.772 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.979 36.253 -12.325 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.122 34.042 -11.340 1.00 0.00 C ATOM 0 H ILE A 85 11.236 32.739 -14.166 1.00 0.00 H new ATOM 0 HA ILE A 85 11.129 35.462 -14.890 1.00 0.00 H new ATOM 0 HB ILE A 85 11.756 34.216 -12.233 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.974 34.797 -13.352 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.685 33.199 -13.240 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.541 36.249 -11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.974 36.695 -12.283 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.350 36.839 -12.994 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.127 33.597 -11.369 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.789 33.403 -10.760 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.066 35.026 -10.874 1.00 0.00 H new ATOM 1457 N VAL A 92 8.041 31.311 -22.689 1.00 0.00 N ATOM 1458 CA VAL A 92 7.515 30.185 -21.928 1.00 0.00 C ATOM 1459 C VAL A 92 8.195 28.887 -22.385 1.00 0.00 C ATOM 1460 O VAL A 92 8.484 28.694 -23.569 1.00 0.00 O ATOM 1461 CB VAL A 92 5.977 30.159 -22.093 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.302 28.981 -21.379 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.325 31.456 -21.577 1.00 0.00 C ATOM 0 HA VAL A 92 7.733 30.288 -20.865 1.00 0.00 H new ATOM 0 HB VAL A 92 5.822 30.052 -23.167 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.225 29.028 -21.538 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.688 28.043 -21.780 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.513 29.033 -20.311 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.245 31.398 -21.711 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.554 31.582 -20.519 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.715 32.307 -22.136 1.00 0.00 H new ATOM 1473 N TYR A 93 8.411 27.999 -21.418 1.00 0.00 N ATOM 1474 CA TYR A 93 8.954 26.656 -21.539 1.00 0.00 C ATOM 1475 C TYR A 93 7.929 25.672 -20.946 1.00 0.00 C ATOM 1476 O TYR A 93 6.865 26.074 -20.470 1.00 0.00 O ATOM 1477 CB TYR A 93 10.280 26.561 -20.752 1.00 0.00 C ATOM 1478 CG TYR A 93 11.376 27.586 -21.023 1.00 0.00 C ATOM 1479 CD1 TYR A 93 11.644 28.061 -22.324 1.00 0.00 C ATOM 1480 CD2 TYR A 93 12.196 28.002 -19.953 1.00 0.00 C ATOM 1481 CE1 TYR A 93 12.715 28.946 -22.551 1.00 0.00 C ATOM 1482 CE2 TYR A 93 13.281 28.865 -20.177 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.548 29.342 -21.479 1.00 0.00 C ATOM 1484 OH TYR A 93 14.616 30.160 -21.703 1.00 0.00 O ATOM 0 H TYR A 93 8.190 28.224 -20.448 1.00 0.00 H new ATOM 0 HA TYR A 93 9.148 26.417 -22.585 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.037 26.612 -19.691 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.701 25.573 -20.935 1.00 0.00 H new ATOM 0 HD1 TYR A 93 11.024 27.744 -23.150 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.987 27.654 -18.952 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.901 29.323 -23.546 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.912 29.164 -19.353 1.00 0.00 H new ATOM 0 HH TYR A 93 15.079 30.333 -20.857 1.00 0.00 H new ATOM 1494 N THR A 94 8.281 24.388 -20.908 1.00 0.00 N ATOM 1495 CA THR A 94 7.498 23.344 -20.251 1.00 0.00 C ATOM 1496 C THR A 94 8.437 22.580 -19.316 1.00 0.00 C ATOM 1497 O THR A 94 9.591 22.318 -19.669 1.00 0.00 O ATOM 1498 CB THR A 94 6.830 22.436 -21.304 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.233 23.200 -22.338 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.734 21.558 -20.693 1.00 0.00 C ATOM 0 H THR A 94 9.135 24.038 -21.342 1.00 0.00 H new ATOM 0 HA THR A 94 6.686 23.767 -19.660 1.00 0.00 H new ATOM 0 HB THR A 94 7.627 21.808 -21.703 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.819 22.599 -22.992 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.291 20.935 -21.470 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.166 20.922 -19.921 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.964 22.191 -20.253 1.00 0.00 H new ATOM 1508 N ALA A 95 7.937 22.231 -18.130 1.00 0.00 N ATOM 1509 CA ALA A 95 8.663 21.529 -17.083 1.00 0.00 C ATOM 1510 C ALA A 95 7.808 20.362 -16.600 1.00 0.00 C ATOM 1511 O ALA A 95 6.580 20.410 -16.686 1.00 0.00 O ATOM 1512 CB ALA A 95 8.944 22.499 -15.929 1.00 0.00 C ATOM 0 H ALA A 95 6.974 22.441 -17.866 1.00 0.00 H new ATOM 0 HA ALA A 95 9.612 21.150 -17.462 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.488 21.979 -15.141 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.543 23.334 -16.293 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.001 22.875 -15.532 1.00 0.00 H new ATOM 1518 N LYS A 96 8.444 19.318 -16.067 1.00 0.00 N ATOM 1519 CA LYS A 96 7.737 18.250 -15.381 1.00 0.00 C ATOM 1520 C LYS A 96 7.235 18.830 -14.070 1.00 0.00 C ATOM 1521 O LYS A 96 7.995 19.495 -13.363 1.00 0.00 O ATOM 1522 CB LYS A 96 8.694 17.084 -15.098 1.00 0.00 C ATOM 1523 CG LYS A 96 9.137 16.339 -16.368 1.00 0.00 C ATOM 1524 CD LYS A 96 10.306 15.392 -16.059 1.00 0.00 C ATOM 1525 CE LYS A 96 11.641 16.155 -16.009 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.632 15.508 -15.117 1.00 0.00 N ATOM 0 H LYS A 96 9.456 19.194 -16.101 1.00 0.00 H new ATOM 0 HA LYS A 96 6.914 17.873 -15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.576 17.464 -14.582 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.208 16.380 -14.423 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.300 15.771 -16.774 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.436 17.057 -17.132 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.132 14.895 -15.105 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.357 14.613 -16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.054 16.224 -17.015 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.461 17.174 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.553 15.980 -15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.313 15.585 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.726 14.504 -15.373 1.00 0.00 H new ATOM 1540 N LEU A 97 5.999 18.515 -13.693 1.00 0.00 N ATOM 1541 CA LEU A 97 5.509 18.830 -12.351 1.00 0.00 C ATOM 1542 C LEU A 97 6.385 18.116 -11.309 1.00 0.00 C ATOM 1543 O LEU A 97 6.591 18.625 -10.211 1.00 0.00 O ATOM 1544 CB LEU A 97 4.034 18.421 -12.215 1.00 0.00 C ATOM 1545 CG LEU A 97 3.396 18.833 -10.870 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.378 20.355 -10.675 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.961 18.308 -10.817 1.00 0.00 C ATOM 0 H LEU A 97 5.321 18.045 -14.292 1.00 0.00 H new ATOM 0 HA LEU A 97 5.572 19.905 -12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.465 18.870 -13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.954 17.340 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 97 4.001 18.403 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.920 20.593 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.399 20.736 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.802 20.818 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.503 18.595 -9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.387 18.733 -11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.968 17.221 -10.902 1.00 0.00 H new ATOM 1559 N SER A 98 6.961 16.971 -11.689 1.00 0.00 N ATOM 1560 CA SER A 98 7.893 16.179 -10.896 1.00 0.00 C ATOM 1561 C SER A 98 9.188 16.929 -10.543 1.00 0.00 C ATOM 1562 O SER A 98 9.912 16.506 -9.642 1.00 0.00 O ATOM 1563 CB SER A 98 8.215 14.913 -11.699 1.00 0.00 C ATOM 1564 OG SER A 98 7.009 14.349 -12.189 1.00 0.00 O ATOM 0 H SER A 98 6.778 16.556 -12.602 1.00 0.00 H new ATOM 0 HA SER A 98 7.423 15.945 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.880 15.154 -12.528 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.738 14.192 -11.070 1.00 0.00 H new ATOM 0 HG SER A 98 7.212 13.540 -12.704 1.00 0.00 H new ATOM 1570 N ASP A 99 9.470 18.048 -11.218 1.00 0.00 N ATOM 1571 CA ASP A 99 10.685 18.841 -11.046 1.00 0.00 C ATOM 1572 C ASP A 99 10.312 20.240 -10.538 1.00 0.00 C ATOM 1573 O ASP A 99 11.161 21.124 -10.498 1.00 0.00 O ATOM 1574 CB ASP A 99 11.471 18.921 -12.371 1.00 0.00 C ATOM 1575 CG ASP A 99 12.269 17.663 -12.732 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.719 16.538 -12.712 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.440 17.811 -13.147 1.00 0.00 O ATOM 0 H ASP A 99 8.839 18.436 -11.919 1.00 0.00 H new ATOM 0 HA ASP A 99 11.330 18.361 -10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.770 19.132 -13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.158 19.765 -12.317 1.00 0.00 H new ATOM 1582 N ILE A 100 9.059 20.471 -10.142 1.00 0.00 N ATOM 1583 CA ILE A 100 8.572 21.761 -9.668 1.00 0.00 C ATOM 1584 C ILE A 100 8.291 21.658 -8.175 1.00 0.00 C ATOM 1585 O ILE A 100 7.843 20.632 -7.658 1.00 0.00 O ATOM 1586 CB ILE A 100 7.353 22.206 -10.515 1.00 0.00 C ATOM 1587 CG1 ILE A 100 7.870 22.874 -11.806 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.319 23.103 -9.801 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.203 24.365 -11.714 1.00 0.00 C ATOM 0 H ILE A 100 8.340 19.747 -10.143 1.00 0.00 H new ATOM 0 HA ILE A 100 9.321 22.543 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 100 6.789 21.299 -10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.765 22.343 -12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.119 22.739 -12.585 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.513 23.350 -10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.910 22.573 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.803 24.020 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.556 24.719 -12.683 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.310 24.920 -11.428 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.981 24.519 -10.966 1.00 0.00 H new ATOM 1601 N GLU A 101 8.530 22.778 -7.509 1.00 0.00 N ATOM 1602 CA GLU A 101 8.216 23.015 -6.112 1.00 0.00 C ATOM 1603 C GLU A 101 7.507 24.366 -6.083 1.00 0.00 C ATOM 1604 O GLU A 101 8.127 25.399 -6.336 1.00 0.00 O ATOM 1605 CB GLU A 101 9.512 22.992 -5.284 1.00 0.00 C ATOM 1606 CG GLU A 101 9.239 23.158 -3.783 1.00 0.00 C ATOM 1607 CD GLU A 101 10.547 23.231 -2.978 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.269 22.212 -2.883 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.865 24.305 -2.420 1.00 0.00 O ATOM 0 H GLU A 101 8.970 23.585 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 101 7.574 22.251 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.035 22.051 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.173 23.790 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.656 24.064 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.637 22.322 -3.427 1.00 0.00 H new ATOM 1616 N ALA A 102 6.190 24.365 -5.873 1.00 0.00 N ATOM 1617 CA ALA A 102 5.409 25.594 -5.900 1.00 0.00 C ATOM 1618 C ALA A 102 5.744 26.464 -4.688 1.00 0.00 C ATOM 1619 O ALA A 102 6.066 25.957 -3.610 1.00 0.00 O ATOM 1620 CB ALA A 102 3.918 25.273 -5.923 1.00 0.00 C ATOM 0 H ALA A 102 5.645 23.524 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 102 5.662 26.146 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.346 26.201 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.686 24.685 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.655 24.704 -5.032 1.00 0.00 H new ATOM 1626 N ILE A 103 5.609 27.774 -4.869 1.00 0.00 N ATOM 1627 CA ILE A 103 5.928 28.786 -3.869 1.00 0.00 C ATOM 1628 C ILE A 103 4.643 29.572 -3.580 1.00 0.00 C ATOM 1629 O ILE A 103 3.963 30.030 -4.499 1.00 0.00 O ATOM 1630 CB ILE A 103 7.091 29.672 -4.384 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.391 28.851 -4.571 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.368 30.848 -3.431 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.482 29.592 -5.355 1.00 0.00 C ATOM 0 H ILE A 103 5.264 28.172 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 103 6.273 28.346 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 103 6.778 30.065 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.782 28.579 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.152 27.922 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.189 31.448 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.474 31.466 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.637 30.463 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.362 28.955 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.110 29.841 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.750 30.508 -4.828 1.00 0.00 H new ATOM 1645 N ASP A 104 4.353 29.754 -2.286 1.00 0.00 N ATOM 1646 CA ASP A 104 3.251 30.569 -1.758 1.00 0.00 C ATOM 1647 C ASP A 104 1.884 30.250 -2.395 1.00 0.00 C ATOM 1648 O ASP A 104 1.083 31.143 -2.685 1.00 0.00 O ATOM 1649 CB ASP A 104 3.632 32.058 -1.809 1.00 0.00 C ATOM 1650 CG ASP A 104 2.630 32.957 -1.059 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.247 32.632 0.088 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.267 34.035 -1.583 1.00 0.00 O ATOM 0 H ASP A 104 4.904 29.319 -1.546 1.00 0.00 H new ATOM 0 HA ASP A 104 3.107 30.301 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.624 32.189 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.692 32.378 -2.849 1.00 0.00 H new ATOM 1657 N VAL A 105 1.621 28.963 -2.642 1.00 0.00 N ATOM 1658 CA VAL A 105 0.331 28.487 -3.144 1.00 0.00 C ATOM 1659 C VAL A 105 -0.612 28.139 -1.986 1.00 0.00 C ATOM 1660 O VAL A 105 -0.221 28.164 -0.814 1.00 0.00 O ATOM 1661 CB VAL A 105 0.522 27.300 -4.108 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.202 27.773 -5.392 1.00 0.00 C ATOM 1663 CG2 VAL A 105 1.263 26.100 -3.495 1.00 0.00 C ATOM 0 H VAL A 105 2.303 28.218 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.137 29.292 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.477 26.928 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.333 26.927 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.583 28.530 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.176 28.200 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.355 25.310 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.257 26.412 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.704 25.727 -2.637 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.864 27.816 -2.322 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.840 27.322 -1.357 1.00 0.00 C ATOM 1675 C ASP A 106 -2.463 25.912 -0.897 1.00 0.00 C ATOM 1676 O ASP A 106 -1.713 25.193 -1.563 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.245 27.294 -1.968 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.340 27.113 -0.908 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.707 28.105 -0.239 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.806 25.969 -0.722 1.00 0.00 O ATOM 0 H ASP A 106 -2.226 27.891 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.838 27.998 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.420 28.222 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.307 26.482 -2.693 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.062 25.499 0.212 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.936 24.162 0.784 1.00 0.00 C ATOM 1687 C ASP A 107 -3.403 23.106 -0.203 1.00 0.00 C ATOM 1688 O ASP A 107 -2.752 22.076 -0.315 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.751 24.074 2.077 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.706 22.656 2.671 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.665 22.275 3.252 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.732 21.942 2.617 1.00 0.00 O ATOM 0 H ASP A 107 -3.672 26.107 0.759 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.885 23.977 1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.362 24.787 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.785 24.354 1.877 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.471 23.359 -0.965 1.00 0.00 N ATOM 1698 CA ASP A 108 -5.009 22.366 -1.893 1.00 0.00 C ATOM 1699 C ASP A 108 -4.057 22.154 -3.080 1.00 0.00 C ATOM 1700 O ASP A 108 -3.878 21.034 -3.556 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.407 22.804 -2.361 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.317 21.642 -2.800 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -7.159 20.499 -2.317 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.269 21.898 -3.571 1.00 0.00 O ATOM 0 H ASP A 108 -4.979 24.244 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.100 21.408 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.895 23.348 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.298 23.500 -3.193 1.00 0.00 H new ATOM 1709 N THR A 109 -3.376 23.220 -3.517 1.00 0.00 N ATOM 1710 CA THR A 109 -2.372 23.154 -4.577 1.00 0.00 C ATOM 1711 C THR A 109 -1.145 22.407 -4.048 1.00 0.00 C ATOM 1712 O THR A 109 -0.668 21.474 -4.699 1.00 0.00 O ATOM 1713 CB THR A 109 -2.046 24.589 -5.018 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.230 25.212 -5.471 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.046 24.707 -6.169 1.00 0.00 C ATOM 0 H THR A 109 -3.510 24.158 -3.140 1.00 0.00 H new ATOM 0 HA THR A 109 -2.735 22.608 -5.448 1.00 0.00 H new ATOM 0 HB THR A 109 -1.602 25.054 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.414 26.003 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.884 25.759 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.100 24.251 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.440 24.196 -7.047 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.663 22.768 -2.851 1.00 0.00 N ATOM 1724 CA GLN A 110 0.477 22.104 -2.238 1.00 0.00 C ATOM 1725 C GLN A 110 0.158 20.619 -2.029 1.00 0.00 C ATOM 1726 O GLN A 110 1.009 19.773 -2.278 1.00 0.00 O ATOM 1727 CB GLN A 110 0.857 22.816 -0.924 1.00 0.00 C ATOM 1728 CG GLN A 110 2.360 22.749 -0.607 1.00 0.00 C ATOM 1729 CD GLN A 110 2.879 21.325 -0.394 1.00 0.00 C ATOM 1730 OE1 GLN A 110 2.551 20.667 0.590 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.695 20.819 -1.308 1.00 0.00 N ATOM 0 H GLN A 110 -1.055 23.524 -2.290 1.00 0.00 H new ATOM 0 HA GLN A 110 1.343 22.163 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.552 23.861 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.299 22.368 -0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.916 23.211 -1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.560 23.337 0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.959 21.376 -2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.059 19.872 -1.199 1.00 0.00 H new ATOM 1740 N GLU A 111 -1.073 20.288 -1.641 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.524 18.921 -1.447 1.00 0.00 C ATOM 1742 C GLU A 111 -1.371 18.101 -2.714 1.00 0.00 C ATOM 1743 O GLU A 111 -0.773 17.031 -2.661 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.989 18.911 -0.982 1.00 0.00 C ATOM 1745 CG GLU A 111 -3.070 18.871 0.542 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.566 17.515 1.060 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -3.019 16.466 0.543 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -1.671 17.468 1.931 1.00 0.00 O ATOM 0 H GLU A 111 -1.796 20.982 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.899 18.466 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.501 19.798 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.503 18.046 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.472 19.677 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.099 19.033 0.864 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.866 18.603 -3.845 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.757 17.893 -5.116 1.00 0.00 C ATOM 1757 C ALA A 112 -0.291 17.643 -5.485 1.00 0.00 C ATOM 1758 O ALA A 112 0.053 16.560 -5.960 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.461 18.697 -6.208 1.00 0.00 C ATOM 0 H ALA A 112 -2.347 19.500 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.239 16.920 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.381 18.169 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.513 18.820 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.993 19.677 -6.297 1.00 0.00 H new ATOM 1765 N ILE A 113 0.573 18.632 -5.246 1.00 0.00 N ATOM 1766 CA ILE A 113 1.999 18.534 -5.528 1.00 0.00 C ATOM 1767 C ILE A 113 2.635 17.484 -4.610 1.00 0.00 C ATOM 1768 O ILE A 113 3.321 16.589 -5.099 1.00 0.00 O ATOM 1769 CB ILE A 113 2.628 19.936 -5.391 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.133 20.829 -6.551 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.166 19.887 -5.359 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.239 22.317 -6.229 1.00 0.00 C ATOM 0 H ILE A 113 0.296 19.529 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 113 2.180 18.197 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 113 2.312 20.359 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.715 20.612 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.096 20.583 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.560 20.899 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.493 19.287 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.535 19.441 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.878 22.899 -7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.635 22.543 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.280 22.573 -6.029 1.00 0.00 H new ATOM 1784 N ALA A 114 2.399 17.557 -3.298 1.00 0.00 N ATOM 1785 CA ALA A 114 2.933 16.600 -2.338 1.00 0.00 C ATOM 1786 C ALA A 114 2.485 15.185 -2.700 1.00 0.00 C ATOM 1787 O ALA A 114 3.307 14.274 -2.750 1.00 0.00 O ATOM 1788 CB ALA A 114 2.478 16.970 -0.922 1.00 0.00 C ATOM 0 H ALA A 114 1.828 18.288 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 114 4.022 16.632 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.881 16.250 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.839 17.968 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.389 16.956 -0.874 1.00 0.00 H new ATOM 1794 N ASP A 115 1.198 15.011 -3.002 1.00 0.00 N ATOM 1795 CA ASP A 115 0.613 13.719 -3.361 1.00 0.00 C ATOM 1796 C ASP A 115 1.315 13.128 -4.591 1.00 0.00 C ATOM 1797 O ASP A 115 1.683 11.949 -4.614 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.899 13.863 -3.588 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.636 12.577 -3.209 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.655 11.625 -4.012 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.181 12.546 -2.080 1.00 0.00 O ATOM 0 H ASP A 115 0.523 15.775 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 115 0.762 13.024 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.282 14.694 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.092 14.102 -4.634 1.00 0.00 H new ATOM 1806 N TRP A 116 1.597 13.983 -5.579 1.00 0.00 N ATOM 1807 CA TRP A 116 2.330 13.609 -6.779 1.00 0.00 C ATOM 1808 C TRP A 116 3.782 13.238 -6.456 1.00 0.00 C ATOM 1809 O TRP A 116 4.325 12.318 -7.066 1.00 0.00 O ATOM 1810 CB TRP A 116 2.268 14.752 -7.803 1.00 0.00 C ATOM 1811 CG TRP A 116 2.987 14.472 -9.085 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.135 15.057 -9.501 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.654 13.484 -10.104 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.538 14.492 -10.693 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.646 13.535 -11.123 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.622 12.536 -10.265 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.598 12.708 -12.250 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.567 11.697 -11.393 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.557 11.777 -12.385 1.00 0.00 C ATOM 0 H TRP A 116 1.317 14.964 -5.562 1.00 0.00 H new ATOM 0 HA TRP A 116 1.860 12.724 -7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.223 14.968 -8.026 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.690 15.651 -7.353 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.656 15.846 -8.979 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.389 14.750 -11.193 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.858 12.452 -9.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.359 12.786 -13.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.759 10.988 -11.496 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.518 11.126 -13.246 1.00 0.00 H new ATOM 1830 N LEU A 117 4.427 13.904 -5.494 1.00 0.00 N ATOM 1831 CA LEU A 117 5.802 13.592 -5.115 1.00 0.00 C ATOM 1832 C LEU A 117 5.906 12.212 -4.452 1.00 0.00 C ATOM 1833 O LEU A 117 6.921 11.542 -4.641 1.00 0.00 O ATOM 1834 CB LEU A 117 6.397 14.694 -4.221 1.00 0.00 C ATOM 1835 CG LEU A 117 6.657 16.024 -4.963 1.00 0.00 C ATOM 1836 CD1 LEU A 117 6.973 17.130 -3.952 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.800 15.917 -5.981 1.00 0.00 C ATOM 0 H LEU A 117 4.012 14.668 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 117 6.394 13.555 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.719 14.880 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.335 14.337 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 117 5.749 16.266 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.155 18.065 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.129 17.255 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.860 16.858 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.940 16.879 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.719 15.635 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.554 15.161 -6.726 1.00 0.00 H new ATOM 1849 N TYR A 118 4.876 11.735 -3.739 1.00 0.00 N ATOM 1850 CA TYR A 118 4.867 10.346 -3.269 1.00 0.00 C ATOM 1851 C TYR A 118 4.788 9.389 -4.457 1.00 0.00 C ATOM 1852 O TYR A 118 5.531 8.411 -4.503 1.00 0.00 O ATOM 1853 CB TYR A 118 3.717 10.066 -2.294 1.00 0.00 C ATOM 1854 CG TYR A 118 3.838 10.806 -0.977 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.718 10.354 0.022 1.00 0.00 C ATOM 1856 CD2 TYR A 118 3.107 11.984 -0.774 1.00 0.00 C ATOM 1857 CE1 TYR A 118 4.881 11.091 1.211 1.00 0.00 C ATOM 1858 CE2 TYR A 118 3.284 12.747 0.389 1.00 0.00 C ATOM 1859 CZ TYR A 118 4.174 12.305 1.392 1.00 0.00 C ATOM 1860 OH TYR A 118 4.342 13.054 2.518 1.00 0.00 O ATOM 0 H TYR A 118 4.054 12.280 -3.480 1.00 0.00 H new ATOM 0 HA TYR A 118 5.799 10.184 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.775 10.341 -2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.674 8.995 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.271 9.438 -0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 118 2.399 12.308 -1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.544 10.731 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.740 13.671 0.517 1.00 0.00 H new ATOM 0 HH TYR A 118 3.777 13.853 2.467 1.00 0.00 H new ATOM 1870 N TRP A 119 3.927 9.671 -5.438 1.00 0.00 N ATOM 1871 CA TRP A 119 3.828 8.864 -6.652 1.00 0.00 C ATOM 1872 C TRP A 119 5.154 8.858 -7.436 1.00 0.00 C ATOM 1873 O TRP A 119 5.558 7.821 -7.971 1.00 0.00 O ATOM 1874 CB TRP A 119 2.643 9.376 -7.478 1.00 0.00 C ATOM 1875 CG TRP A 119 2.589 8.923 -8.900 1.00 0.00 C ATOM 1876 CD1 TRP A 119 3.363 9.419 -9.890 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.719 7.936 -9.534 1.00 0.00 C ATOM 1878 NE1 TRP A 119 3.059 8.798 -11.074 1.00 0.00 N ATOM 1879 CE2 TRP A 119 2.020 7.910 -10.927 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.696 7.070 -9.088 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 1.331 7.094 -11.829 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.043 6.287 -9.996 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.261 6.311 -11.369 1.00 0.00 C ATOM 0 H TRP A 119 3.283 10.461 -5.412 1.00 0.00 H new ATOM 0 HA TRP A 119 3.644 7.821 -6.395 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.722 9.067 -6.984 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.661 10.466 -7.466 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.110 10.190 -9.767 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.543 8.973 -11.954 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.477 7.007 -8.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 1.619 7.066 -12.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.848 5.664 -9.636 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.326 5.730 -12.065 1.00 0.00 H new ATOM 1894 N LEU A 120 5.868 9.987 -7.479 1.00 0.00 N ATOM 1895 CA LEU A 120 7.190 10.082 -8.085 1.00 0.00 C ATOM 1896 C LEU A 120 8.166 9.158 -7.355 1.00 0.00 C ATOM 1897 O LEU A 120 8.833 8.348 -7.999 1.00 0.00 O ATOM 1898 CB LEU A 120 7.634 11.555 -8.047 1.00 0.00 C ATOM 1899 CG LEU A 120 9.040 11.858 -8.596 1.00 0.00 C ATOM 1900 CD1 LEU A 120 9.179 11.513 -10.081 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.321 13.350 -8.389 1.00 0.00 C ATOM 0 H LEU A 120 5.536 10.869 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 120 7.168 9.756 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.912 12.145 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.589 11.899 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 120 9.758 11.238 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.190 11.747 -10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.985 10.451 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.462 12.096 -10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.313 13.590 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.575 13.938 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.275 13.585 -7.326 1.00 0.00 H new ATOM 1913 N ALA A 121 8.207 9.226 -6.018 1.00 0.00 N ATOM 1914 CA ALA A 121 9.059 8.365 -5.202 1.00 0.00 C ATOM 1915 C ALA A 121 8.714 6.880 -5.387 1.00 0.00 C ATOM 1916 O ALA A 121 9.613 6.039 -5.405 1.00 0.00 O ATOM 1917 CB ALA A 121 8.944 8.771 -3.728 1.00 0.00 C ATOM 0 H ALA A 121 7.647 9.883 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 121 10.090 8.496 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.581 8.126 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.260 9.808 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.909 8.668 -3.402 1.00 0.00 H new ATOM 1923 N ARG A 122 7.429 6.549 -5.561 1.00 0.00 N ATOM 1924 CA ARG A 122 6.943 5.192 -5.813 1.00 0.00 C ATOM 1925 C ARG A 122 7.461 4.586 -7.114 1.00 0.00 C ATOM 1926 O ARG A 122 7.359 3.368 -7.262 1.00 0.00 O ATOM 1927 CB ARG A 122 5.402 5.196 -5.829 1.00 0.00 C ATOM 1928 CG ARG A 122 4.768 5.200 -4.439 1.00 0.00 C ATOM 1929 CD ARG A 122 4.749 3.775 -3.882 1.00 0.00 C ATOM 1930 NE ARG A 122 4.346 3.740 -2.479 1.00 0.00 N ATOM 1931 CZ ARG A 122 3.129 3.989 -1.989 1.00 0.00 C ATOM 1932 NH1 ARG A 122 2.086 4.171 -2.790 1.00 0.00 N ATOM 1933 NH2 ARG A 122 2.962 4.075 -0.680 1.00 0.00 N ATOM 0 H ARG A 122 6.679 7.240 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 122 7.327 4.569 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.056 6.072 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.052 4.320 -6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.330 5.855 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.753 5.595 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.064 3.165 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.740 3.332 -3.986 1.00 0.00 H new ATOM 0 HE ARG A 122 5.070 3.500 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.205 4.122 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.165 4.360 -2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.759 3.952 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.037 4.265 -0.295 1.00 0.00 H new