USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 633 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 96 MET CE :methyl -116:sc= -1.28 (180deg=-2.33!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot -94:sc= 0.963 USER MOD Set 2.2: A 32 HIS : no HD1:sc= 0.886 K(o=1.8,f=-4.7!) USER MOD Single : A 19 MET CE :methyl -179:sc= -4.15! (180deg=-4.16!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 38 SER OG : rot 23:sc= 0.0888 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 105:sc= 0.276 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 165:sc= -1.49 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00738 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -24:sc= -0.939 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= -0.0311 (180deg=-1.21) USER MOD Single : A 88 ASN : amide:sc= -5.28! C(o=-5.3!,f=-5.5!) USER MOD Single : A 89 THR OG1 : rot 65:sc= -1.36 USER MOD Single : A 90 MET CE :methyl 160:sc= -0.0639 (180deg=-0.512) USER MOD Single : A 91 TYR OH : rot 88:sc= -0.91 USER MOD Single : A 94 SER OG : rot 78:sc= -0.0475 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.959 K(o=-0.96,f=-2.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -79:sc= 0.153 USER MOD Single : A 105 THR OG1 : rot 180:sc=-0.00538 USER MOD Single : A 107 SER OG : rot 120:sc= 0.799 USER MOD Single : A 108 MET CE :methyl 157:sc= -0.0777 (180deg=-0.935) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.29) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.849 USER MOD Single : A 114 THR OG1 : rot -173:sc= 1.49 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 3.646 18.410 2.899 1.00 0.00 N ATOM 226 CA MET A 19 2.793 17.587 2.050 1.00 0.00 C ATOM 227 C MET A 19 1.791 16.798 2.888 1.00 0.00 C ATOM 228 O MET A 19 1.884 16.764 4.116 1.00 0.00 O ATOM 229 CB MET A 19 3.642 16.628 1.213 1.00 0.00 C ATOM 230 CG MET A 19 4.375 17.307 0.068 1.00 0.00 C ATOM 231 SD MET A 19 3.261 17.874 -1.231 1.00 0.00 S ATOM 232 CE MET A 19 2.912 16.332 -2.073 1.00 0.00 C ATOM 0 HA MET A 19 2.241 18.249 1.383 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.370 16.140 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.000 15.845 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.938 18.157 0.455 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.099 16.612 -0.357 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.247 16.520 -2.916 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.843 15.896 -2.435 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.433 15.640 -1.381 1.00 0.00 H new ATOM 242 N LEU A 20 0.834 16.166 2.218 1.00 0.00 N ATOM 243 CA LEU A 20 -0.185 15.378 2.901 1.00 0.00 C ATOM 244 C LEU A 20 -0.451 14.071 2.160 1.00 0.00 C ATOM 245 O LEU A 20 -1.097 14.044 1.112 1.00 0.00 O ATOM 246 CB LEU A 20 -1.482 16.181 3.024 1.00 0.00 C ATOM 247 CG LEU A 20 -2.401 15.798 4.185 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.950 14.393 3.990 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.659 15.904 5.509 1.00 0.00 C ATOM 0 H LEU A 20 0.743 16.184 1.202 1.00 0.00 H new ATOM 0 HA LEU A 20 0.184 15.140 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.225 17.236 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.041 16.075 2.094 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.240 16.494 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.602 14.138 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.518 14.350 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.124 13.683 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.328 15.628 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.801 15.232 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.316 16.928 5.653 1.00 0.00 H new ATOM 261 N PRO A 21 0.056 12.961 2.716 1.00 0.00 N ATOM 262 CA PRO A 21 -0.116 11.631 2.125 1.00 0.00 C ATOM 263 C PRO A 21 -1.556 11.137 2.218 1.00 0.00 C ATOM 264 O PRO A 21 -2.402 11.739 2.879 1.00 0.00 O ATOM 265 CB PRO A 21 0.808 10.747 2.967 1.00 0.00 C ATOM 266 CG PRO A 21 0.916 11.451 4.276 1.00 0.00 C ATOM 267 CD PRO A 21 0.837 12.920 3.964 1.00 0.00 C ATOM 0 HA PRO A 21 0.118 11.624 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.395 9.746 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.785 10.634 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.112 11.151 4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.855 11.208 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.346 13.475 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.827 13.357 3.833 1.00 0.00 H new ATOM 275 N PRO A 22 -1.842 10.014 1.542 1.00 0.00 N ATOM 276 CA PRO A 22 -3.180 9.415 1.534 1.00 0.00 C ATOM 277 C PRO A 22 -3.553 8.813 2.885 1.00 0.00 C ATOM 278 O PRO A 22 -2.754 8.819 3.821 1.00 0.00 O ATOM 279 CB PRO A 22 -3.070 8.318 0.472 1.00 0.00 C ATOM 280 CG PRO A 22 -1.622 7.969 0.435 1.00 0.00 C ATOM 281 CD PRO A 22 -0.882 9.244 0.734 1.00 0.00 C ATOM 0 HA PRO A 22 -3.956 10.152 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.679 7.452 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.417 8.671 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.387 7.200 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.340 7.574 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.042 9.054 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.609 9.774 -0.179 1.00 0.00 H new ATOM 289 N VAL A 23 -4.773 8.294 2.979 1.00 0.00 N ATOM 290 CA VAL A 23 -5.252 7.687 4.215 1.00 0.00 C ATOM 291 C VAL A 23 -5.957 6.363 3.940 1.00 0.00 C ATOM 292 O VAL A 23 -5.610 5.332 4.515 1.00 0.00 O ATOM 293 CB VAL A 23 -6.219 8.625 4.963 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.445 9.664 5.760 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.175 9.293 3.986 1.00 0.00 C ATOM 0 H VAL A 23 -5.448 8.282 2.214 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.377 7.507 4.839 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.807 8.031 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.144 10.318 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.806 9.163 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.830 10.257 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.851 9.952 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.606 9.876 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.754 8.531 3.465 1.00 0.00 H new ATOM 305 N GLY A 24 -6.949 6.399 3.056 1.00 0.00 N ATOM 306 CA GLY A 24 -7.687 5.196 2.719 1.00 0.00 C ATOM 307 C GLY A 24 -6.899 4.266 1.818 1.00 0.00 C ATOM 308 O GLY A 24 -7.427 3.748 0.834 1.00 0.00 O ATOM 0 H GLY A 24 -7.255 7.240 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.955 4.669 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.619 5.471 2.226 1.00 0.00 H new ATOM 312 N VAL A 25 -5.630 4.053 2.153 1.00 0.00 N ATOM 313 CA VAL A 25 -4.768 3.180 1.367 1.00 0.00 C ATOM 314 C VAL A 25 -5.279 1.744 1.383 1.00 0.00 C ATOM 315 O VAL A 25 -4.944 0.966 2.276 1.00 0.00 O ATOM 316 CB VAL A 25 -3.319 3.203 1.890 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.434 2.293 1.051 1.00 0.00 C ATOM 318 CG2 VAL A 25 -2.779 4.625 1.898 1.00 0.00 C ATOM 0 H VAL A 25 -5.177 4.474 2.964 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.784 3.557 0.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.315 2.831 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.414 2.322 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.812 1.272 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.441 2.632 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.755 4.623 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.796 5.026 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.399 5.246 2.545 1.00 0.00 H new ATOM 328 N GLN A 26 -6.091 1.399 0.389 1.00 0.00 N ATOM 329 CA GLN A 26 -6.649 0.056 0.289 1.00 0.00 C ATOM 330 C GLN A 26 -5.923 -0.758 -0.777 1.00 0.00 C ATOM 331 O GLN A 26 -5.325 -0.200 -1.697 1.00 0.00 O ATOM 332 CB GLN A 26 -8.143 0.123 -0.033 1.00 0.00 C ATOM 333 CG GLN A 26 -8.815 -1.239 -0.090 1.00 0.00 C ATOM 334 CD GLN A 26 -10.275 -1.153 -0.489 1.00 0.00 C ATOM 335 OE1 GLN A 26 -10.667 -0.285 -1.270 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.089 -2.055 0.047 1.00 0.00 N ATOM 0 H GLN A 26 -6.377 2.031 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.514 -0.438 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.641 0.733 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.277 0.626 -0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.285 -1.872 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.736 -1.720 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.721 -2.756 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.082 -2.047 -0.184 1.00 0.00 H new ATOM 345 N ALA A 27 -5.978 -2.079 -0.646 1.00 0.00 N ATOM 346 CA ALA A 27 -5.327 -2.969 -1.600 1.00 0.00 C ATOM 347 C ALA A 27 -6.247 -4.119 -1.993 1.00 0.00 C ATOM 348 O ALA A 27 -6.402 -5.087 -1.247 1.00 0.00 O ATOM 349 CB ALA A 27 -4.027 -3.505 -1.019 1.00 0.00 C ATOM 0 H ALA A 27 -6.467 -2.557 0.111 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.101 -2.396 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.552 -4.168 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.359 -2.674 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.238 -4.058 -0.104 1.00 0.00 H new ATOM 355 N VAL A 28 -6.856 -4.008 -3.170 1.00 0.00 N ATOM 356 CA VAL A 28 -7.761 -5.040 -3.663 1.00 0.00 C ATOM 357 C VAL A 28 -7.015 -6.067 -4.508 1.00 0.00 C ATOM 358 O VAL A 28 -6.123 -5.719 -5.281 1.00 0.00 O ATOM 359 CB VAL A 28 -8.902 -4.433 -4.500 1.00 0.00 C ATOM 360 CG1 VAL A 28 -9.854 -5.520 -4.975 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.645 -3.374 -3.699 1.00 0.00 C ATOM 0 H VAL A 28 -6.739 -3.214 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.185 -5.533 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.469 -3.954 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.653 -5.071 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.310 -6.238 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.282 -6.031 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.448 -2.956 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.067 -3.826 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.953 -2.581 -3.415 1.00 0.00 H new ATOM 371 N ALA A 29 -7.388 -7.333 -4.356 1.00 0.00 N ATOM 372 CA ALA A 29 -6.757 -8.411 -5.107 1.00 0.00 C ATOM 373 C ALA A 29 -7.628 -8.845 -6.282 1.00 0.00 C ATOM 374 O ALA A 29 -8.697 -9.426 -6.094 1.00 0.00 O ATOM 375 CB ALA A 29 -6.471 -9.594 -4.194 1.00 0.00 C ATOM 0 H ALA A 29 -8.124 -7.637 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.814 -8.038 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.000 -10.391 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.803 -9.281 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.405 -9.958 -3.767 1.00 0.00 H new ATOM 381 N LEU A 30 -7.164 -8.559 -7.493 1.00 0.00 N ATOM 382 CA LEU A 30 -7.901 -8.919 -8.699 1.00 0.00 C ATOM 383 C LEU A 30 -7.770 -10.410 -8.993 1.00 0.00 C ATOM 384 O LEU A 30 -8.769 -11.121 -9.111 1.00 0.00 O ATOM 385 CB LEU A 30 -7.394 -8.107 -9.892 1.00 0.00 C ATOM 386 CG LEU A 30 -7.254 -6.601 -9.668 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.290 -5.998 -10.678 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.612 -5.920 -9.753 1.00 0.00 C ATOM 0 H LEU A 30 -6.281 -8.079 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.954 -8.691 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.422 -8.502 -10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.072 -8.268 -10.730 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.850 -6.438 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.203 -4.926 -10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.311 -6.464 -10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.664 -6.172 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.493 -4.849 -9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.044 -6.092 -10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.273 -6.331 -8.990 1.00 0.00 H new ATOM 400 N THR A 31 -6.532 -10.879 -9.106 1.00 0.00 N ATOM 401 CA THR A 31 -6.270 -12.286 -9.384 1.00 0.00 C ATOM 402 C THR A 31 -4.980 -12.747 -8.715 1.00 0.00 C ATOM 403 O THR A 31 -4.276 -11.955 -8.088 1.00 0.00 O ATOM 404 CB THR A 31 -6.173 -12.551 -10.898 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.323 -13.950 -11.161 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.840 -12.067 -11.448 1.00 0.00 C ATOM 0 H THR A 31 -5.694 -10.305 -9.009 1.00 0.00 H new ATOM 0 HA THR A 31 -7.109 -12.850 -8.977 1.00 0.00 H new ATOM 0 HB THR A 31 -6.973 -12.001 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.439 -14.372 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.795 -12.265 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.741 -10.996 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.027 -12.593 -10.947 1.00 0.00 H new ATOM 414 N HIS A 32 -4.675 -14.034 -8.853 1.00 0.00 N ATOM 415 CA HIS A 32 -3.467 -14.601 -8.263 1.00 0.00 C ATOM 416 C HIS A 32 -2.267 -13.690 -8.502 1.00 0.00 C ATOM 417 O HIS A 32 -1.477 -13.436 -7.592 1.00 0.00 O ATOM 418 CB HIS A 32 -3.193 -15.988 -8.844 1.00 0.00 C ATOM 419 CG HIS A 32 -3.202 -16.023 -10.341 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.355 -15.917 -11.090 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.188 -16.152 -11.230 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.051 -15.981 -12.374 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.742 -16.122 -12.486 1.00 0.00 N ATOM 0 H HIS A 32 -5.247 -14.703 -9.368 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.625 -14.691 -7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.225 -16.338 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.942 -16.685 -8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.139 -16.259 -10.995 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.753 -15.927 -13.193 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.227 -16.196 -13.363 1.00 0.00 H new ATOM 432 N ASP A 33 -2.135 -13.202 -9.731 1.00 0.00 N ATOM 433 CA ASP A 33 -1.031 -12.320 -10.089 1.00 0.00 C ATOM 434 C ASP A 33 -1.544 -10.932 -10.462 1.00 0.00 C ATOM 435 O ASP A 33 -1.105 -10.342 -11.449 1.00 0.00 O ATOM 436 CB ASP A 33 -0.234 -12.912 -11.252 1.00 0.00 C ATOM 437 CG ASP A 33 0.538 -14.155 -10.852 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.264 -14.696 -9.760 1.00 0.00 O ATOM 439 OD2 ASP A 33 1.415 -14.585 -11.630 1.00 0.00 O ATOM 0 H ASP A 33 -2.779 -13.403 -10.496 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.377 -12.226 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.915 -13.157 -12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.461 -12.163 -11.631 1.00 0.00 H new ATOM 444 N ALA A 34 -2.476 -10.418 -9.667 1.00 0.00 N ATOM 445 CA ALA A 34 -3.047 -9.100 -9.913 1.00 0.00 C ATOM 446 C ALA A 34 -3.630 -8.507 -8.635 1.00 0.00 C ATOM 447 O ALA A 34 -4.360 -9.177 -7.904 1.00 0.00 O ATOM 448 CB ALA A 34 -4.115 -9.181 -10.994 1.00 0.00 C ATOM 0 H ALA A 34 -2.852 -10.894 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.247 -8.443 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.533 -8.189 -11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.671 -9.554 -11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.907 -9.858 -10.673 1.00 0.00 H new ATOM 454 N VAL A 35 -3.303 -7.246 -8.370 1.00 0.00 N ATOM 455 CA VAL A 35 -3.795 -6.562 -7.179 1.00 0.00 C ATOM 456 C VAL A 35 -4.057 -5.087 -7.461 1.00 0.00 C ATOM 457 O VAL A 35 -3.132 -4.325 -7.742 1.00 0.00 O ATOM 458 CB VAL A 35 -2.798 -6.681 -6.012 1.00 0.00 C ATOM 459 CG1 VAL A 35 -2.974 -5.525 -5.039 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.966 -8.016 -5.301 1.00 0.00 C ATOM 0 H VAL A 35 -2.700 -6.677 -8.964 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.730 -7.047 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.787 -6.635 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.261 -5.626 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.799 -4.583 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.988 -5.537 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.253 -8.083 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.980 -8.094 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.785 -8.828 -6.005 1.00 0.00 H new ATOM 470 N ARG A 36 -5.324 -4.692 -7.385 1.00 0.00 N ATOM 471 CA ARG A 36 -5.708 -3.307 -7.633 1.00 0.00 C ATOM 472 C ARG A 36 -5.650 -2.489 -6.347 1.00 0.00 C ATOM 473 O ARG A 36 -6.544 -2.572 -5.504 1.00 0.00 O ATOM 474 CB ARG A 36 -7.117 -3.245 -8.227 1.00 0.00 C ATOM 475 CG ARG A 36 -7.674 -1.835 -8.326 1.00 0.00 C ATOM 476 CD ARG A 36 -7.001 -1.047 -9.438 1.00 0.00 C ATOM 477 NE ARG A 36 -7.529 -1.398 -10.754 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.644 -0.883 -11.260 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.344 0.002 -10.565 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.059 -1.252 -12.465 1.00 0.00 N ATOM 0 H ARG A 36 -6.101 -5.311 -7.154 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.002 -2.882 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.103 -3.692 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.787 -3.849 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.748 -1.879 -8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.533 -1.319 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.142 0.020 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.927 -1.234 -9.416 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.013 -2.076 -11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.027 0.289 -9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.200 0.396 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.522 -1.932 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.915 -0.856 -12.853 1.00 0.00 H new ATOM 494 N VAL A 37 -4.592 -1.698 -6.202 1.00 0.00 N ATOM 495 CA VAL A 37 -4.417 -0.863 -5.019 1.00 0.00 C ATOM 496 C VAL A 37 -5.075 0.500 -5.206 1.00 0.00 C ATOM 497 O VAL A 37 -4.648 1.297 -6.041 1.00 0.00 O ATOM 498 CB VAL A 37 -2.926 -0.660 -4.691 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.766 0.156 -3.418 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.221 -2.002 -4.566 1.00 0.00 C ATOM 0 H VAL A 37 -3.843 -1.618 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.896 -1.384 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.464 -0.107 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.706 0.289 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.235 1.131 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.242 -0.367 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.168 -1.840 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.683 -2.583 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.306 -2.546 -5.507 1.00 0.00 H new ATOM 510 N SER A 38 -6.117 0.760 -4.423 1.00 0.00 N ATOM 511 CA SER A 38 -6.837 2.025 -4.504 1.00 0.00 C ATOM 512 C SER A 38 -6.803 2.756 -3.165 1.00 0.00 C ATOM 513 O SER A 38 -7.072 2.167 -2.117 1.00 0.00 O ATOM 514 CB SER A 38 -8.286 1.785 -4.931 1.00 0.00 C ATOM 515 OG SER A 38 -8.971 0.986 -3.983 1.00 0.00 O ATOM 0 H SER A 38 -6.481 0.111 -3.725 1.00 0.00 H new ATOM 0 HA SER A 38 -6.345 2.648 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.798 2.741 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.305 1.296 -5.905 1.00 0.00 H new ATOM 0 HG SER A 38 -8.525 1.055 -3.113 1.00 0.00 H new ATOM 521 N TRP A 39 -6.472 4.041 -3.207 1.00 0.00 N ATOM 522 CA TRP A 39 -6.403 4.853 -1.998 1.00 0.00 C ATOM 523 C TRP A 39 -7.249 6.114 -2.139 1.00 0.00 C ATOM 524 O TRP A 39 -7.773 6.402 -3.215 1.00 0.00 O ATOM 525 CB TRP A 39 -4.952 5.229 -1.693 1.00 0.00 C ATOM 526 CG TRP A 39 -4.268 5.926 -2.830 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.115 7.274 -2.993 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.647 5.311 -3.964 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.436 7.533 -4.159 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.137 6.345 -4.772 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.470 3.986 -4.373 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.464 6.094 -5.965 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -2.802 3.739 -5.557 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.305 4.788 -6.342 1.00 0.00 C ATOM 0 H TRP A 39 -6.247 4.543 -4.066 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.799 4.263 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.928 5.873 -0.814 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.395 4.326 -1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.475 8.026 -2.306 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.194 8.459 -4.511 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.848 3.170 -3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.081 6.901 -6.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.660 2.719 -5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.787 4.562 -7.262 1.00 0.00 H new ATOM 545 N ALA A 40 -7.378 6.860 -1.048 1.00 0.00 N ATOM 546 CA ALA A 40 -8.159 8.091 -1.052 1.00 0.00 C ATOM 547 C ALA A 40 -7.293 9.292 -0.688 1.00 0.00 C ATOM 548 O ALA A 40 -6.487 9.229 0.241 1.00 0.00 O ATOM 549 CB ALA A 40 -9.334 7.974 -0.092 1.00 0.00 C ATOM 0 H ALA A 40 -6.952 6.634 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.542 8.245 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.908 8.900 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.973 7.146 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.963 7.792 0.917 1.00 0.00 H new ATOM 555 N ASP A 41 -7.463 10.384 -1.425 1.00 0.00 N ATOM 556 CA ASP A 41 -6.697 11.600 -1.178 1.00 0.00 C ATOM 557 C ASP A 41 -7.390 12.478 -0.141 1.00 0.00 C ATOM 558 O ASP A 41 -8.586 12.747 -0.241 1.00 0.00 O ATOM 559 CB ASP A 41 -6.507 12.381 -2.480 1.00 0.00 C ATOM 560 CG ASP A 41 -5.549 13.546 -2.322 1.00 0.00 C ATOM 561 OD1 ASP A 41 -4.718 13.507 -1.391 1.00 0.00 O ATOM 562 OD2 ASP A 41 -5.632 14.496 -3.128 1.00 0.00 O ATOM 0 H ASP A 41 -8.124 10.452 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.720 11.312 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.133 11.709 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.473 12.753 -2.822 1.00 0.00 H new ATOM 753 N ARG A 54 1.030 16.919 -9.864 1.00 0.00 N ATOM 754 CA ARG A 54 1.350 15.985 -8.791 1.00 0.00 C ATOM 755 C ARG A 54 1.512 14.568 -9.334 1.00 0.00 C ATOM 756 O ARG A 54 1.117 14.275 -10.463 1.00 0.00 O ATOM 757 CB ARG A 54 0.258 16.011 -7.720 1.00 0.00 C ATOM 758 CG ARG A 54 -1.151 16.030 -8.288 1.00 0.00 C ATOM 759 CD ARG A 54 -1.594 14.642 -8.726 1.00 0.00 C ATOM 760 NE ARG A 54 -2.992 14.622 -9.149 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.504 13.693 -9.949 1.00 0.00 C ATOM 762 NH1 ARG A 54 -2.738 12.715 -10.410 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.786 13.742 -10.288 1.00 0.00 N ATOM 0 HA ARG A 54 2.295 16.294 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.370 15.138 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.399 16.890 -7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.842 16.414 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.193 16.712 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.962 14.302 -9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.454 13.940 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.609 15.361 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.752 12.674 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.134 12.003 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.379 14.493 -9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.179 13.029 -10.902 1.00 0.00 H new ATOM 777 N LEU A 55 2.094 13.692 -8.522 1.00 0.00 N ATOM 778 CA LEU A 55 2.308 12.305 -8.920 1.00 0.00 C ATOM 779 C LEU A 55 2.233 11.374 -7.714 1.00 0.00 C ATOM 780 O LEU A 55 2.654 11.732 -6.614 1.00 0.00 O ATOM 781 CB LEU A 55 3.665 12.156 -9.610 1.00 0.00 C ATOM 782 CG LEU A 55 4.151 10.723 -9.833 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.741 10.229 -11.212 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.661 10.639 -9.662 1.00 0.00 C ATOM 0 H LEU A 55 2.426 13.918 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 55 1.519 12.028 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.615 12.656 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.412 12.683 -9.017 1.00 0.00 H new ATOM 0 HG LEU A 55 3.684 10.081 -9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.095 9.208 -11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.655 10.251 -11.298 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.179 10.873 -11.974 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.989 9.612 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.146 11.294 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.931 10.951 -8.653 1.00 0.00 H new ATOM 796 N TYR A 56 1.697 10.178 -7.929 1.00 0.00 N ATOM 797 CA TYR A 56 1.567 9.196 -6.860 1.00 0.00 C ATOM 798 C TYR A 56 2.388 7.947 -7.164 1.00 0.00 C ATOM 799 O TYR A 56 2.349 7.418 -8.276 1.00 0.00 O ATOM 800 CB TYR A 56 0.098 8.818 -6.662 1.00 0.00 C ATOM 801 CG TYR A 56 -0.697 9.855 -5.901 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.876 11.134 -6.412 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.268 9.555 -4.670 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.600 12.085 -5.720 1.00 0.00 C ATOM 805 CE2 TYR A 56 -1.996 10.499 -3.972 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.159 11.763 -4.501 1.00 0.00 C ATOM 807 OH TYR A 56 -2.882 12.706 -3.807 1.00 0.00 O ATOM 0 H TYR A 56 1.346 9.865 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 56 1.947 9.644 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.363 8.663 -7.637 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.044 7.869 -6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.441 11.389 -7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.140 8.567 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.728 13.075 -6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.435 10.249 -3.017 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.208 12.317 -2.969 1.00 0.00 H new ATOM 817 N THR A 57 3.134 7.479 -6.168 1.00 0.00 N ATOM 818 CA THR A 57 3.966 6.293 -6.327 1.00 0.00 C ATOM 819 C THR A 57 3.401 5.116 -5.540 1.00 0.00 C ATOM 820 O THR A 57 2.839 5.291 -4.459 1.00 0.00 O ATOM 821 CB THR A 57 5.412 6.556 -5.868 1.00 0.00 C ATOM 822 OG1 THR A 57 5.948 7.688 -6.562 1.00 0.00 O ATOM 823 CG2 THR A 57 6.290 5.339 -6.121 1.00 0.00 C ATOM 0 H THR A 57 3.179 7.904 -5.242 1.00 0.00 H new ATOM 0 HA THR A 57 3.969 6.049 -7.389 1.00 0.00 H new ATOM 0 HB THR A 57 5.398 6.759 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.973 8.460 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.307 5.549 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.897 4.485 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.296 5.110 -7.187 1.00 0.00 H new ATOM 831 N VAL A 58 3.554 3.915 -6.089 1.00 0.00 N ATOM 832 CA VAL A 58 3.061 2.707 -5.437 1.00 0.00 C ATOM 833 C VAL A 58 4.167 1.667 -5.299 1.00 0.00 C ATOM 834 O VAL A 58 4.788 1.271 -6.285 1.00 0.00 O ATOM 835 CB VAL A 58 1.885 2.089 -6.216 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.296 0.914 -5.451 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.821 3.140 -6.497 1.00 0.00 C ATOM 0 H VAL A 58 4.016 3.752 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 58 2.716 3.001 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 58 2.259 1.719 -7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.466 0.490 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.063 0.153 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.936 1.255 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.002 2.686 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.449 3.542 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.253 3.946 -7.090 1.00 0.00 H new ATOM 847 N ARG A 59 4.407 1.228 -4.068 1.00 0.00 N ATOM 848 CA ARG A 59 5.439 0.233 -3.799 1.00 0.00 C ATOM 849 C ARG A 59 4.867 -0.947 -3.018 1.00 0.00 C ATOM 850 O ARG A 59 3.991 -0.776 -2.171 1.00 0.00 O ATOM 851 CB ARG A 59 6.594 0.863 -3.019 1.00 0.00 C ATOM 852 CG ARG A 59 6.307 1.031 -1.536 1.00 0.00 C ATOM 853 CD ARG A 59 7.435 1.768 -0.830 1.00 0.00 C ATOM 854 NE ARG A 59 7.057 2.183 0.519 1.00 0.00 N ATOM 855 CZ ARG A 59 6.991 1.351 1.552 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.276 0.066 1.392 1.00 0.00 N ATOM 857 NH2 ARG A 59 6.641 1.804 2.749 1.00 0.00 N ATOM 0 H ARG A 59 3.901 1.545 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 59 5.813 -0.134 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.483 0.245 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.823 1.838 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.374 1.580 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.168 0.052 -1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.313 1.124 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.717 2.645 -1.414 1.00 0.00 H new ATOM 0 HE ARG A 59 6.832 3.165 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.547 -0.286 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.224 -0.571 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.422 2.792 2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.591 1.164 3.542 1.00 0.00 H new ATOM 871 N TRP A 60 5.369 -2.141 -3.310 1.00 0.00 N ATOM 872 CA TRP A 60 4.907 -3.349 -2.636 1.00 0.00 C ATOM 873 C TRP A 60 6.015 -4.394 -2.573 1.00 0.00 C ATOM 874 O TRP A 60 6.662 -4.688 -3.578 1.00 0.00 O ATOM 875 CB TRP A 60 3.686 -3.925 -3.356 1.00 0.00 C ATOM 876 CG TRP A 60 3.931 -4.208 -4.807 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.258 -5.412 -5.364 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.871 -3.268 -5.885 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.404 -5.276 -6.723 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.171 -3.971 -7.068 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.591 -1.901 -5.967 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.200 -3.352 -8.315 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.620 -1.288 -7.205 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.922 -2.013 -8.366 1.00 0.00 C ATOM 0 H TRP A 60 6.095 -2.299 -4.008 1.00 0.00 H new ATOM 0 HA TRP A 60 4.626 -3.082 -1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.382 -4.847 -2.860 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.856 -3.225 -3.265 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.383 -6.334 -4.817 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.647 -6.026 -7.371 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.356 -1.334 -5.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.434 -3.909 -9.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.406 -0.232 -7.279 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.936 -1.505 -9.319 1.00 0.00 H new ATOM 895 N ARG A 61 6.229 -4.953 -1.386 1.00 0.00 N ATOM 896 CA ARG A 61 7.260 -5.966 -1.192 1.00 0.00 C ATOM 897 C ARG A 61 6.717 -7.150 -0.398 1.00 0.00 C ATOM 898 O ARG A 61 5.896 -6.983 0.505 1.00 0.00 O ATOM 899 CB ARG A 61 8.466 -5.363 -0.469 1.00 0.00 C ATOM 900 CG ARG A 61 9.748 -6.158 -0.658 1.00 0.00 C ATOM 901 CD ARG A 61 9.897 -7.236 0.404 1.00 0.00 C ATOM 902 NE ARG A 61 10.576 -6.738 1.597 1.00 0.00 N ATOM 903 CZ ARG A 61 9.939 -6.295 2.675 1.00 0.00 C ATOM 904 NH1 ARG A 61 8.613 -6.289 2.710 1.00 0.00 N ATOM 905 NH2 ARG A 61 10.627 -5.858 3.722 1.00 0.00 N ATOM 0 H ARG A 61 5.702 -4.721 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 61 7.573 -6.323 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.623 -4.346 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.244 -5.295 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.750 -6.617 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.604 -5.485 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.912 -7.613 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.457 -8.076 -0.008 1.00 0.00 H new ATOM 0 HE ARG A 61 11.596 -6.730 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.080 -6.625 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.126 -5.948 3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.647 -5.862 3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.136 -5.518 4.549 1.00 0.00 H new ATOM 919 N THR A 62 7.180 -8.348 -0.741 1.00 0.00 N ATOM 920 CA THR A 62 6.740 -9.561 -0.063 1.00 0.00 C ATOM 921 C THR A 62 6.703 -9.363 1.448 1.00 0.00 C ATOM 922 O THR A 62 7.669 -8.885 2.045 1.00 0.00 O ATOM 923 CB THR A 62 7.658 -10.753 -0.391 1.00 0.00 C ATOM 924 OG1 THR A 62 9.030 -10.352 -0.307 1.00 0.00 O ATOM 925 CG2 THR A 62 7.366 -11.293 -1.783 1.00 0.00 C ATOM 0 H THR A 62 7.860 -8.504 -1.485 1.00 0.00 H new ATOM 0 HA THR A 62 5.734 -9.777 -0.423 1.00 0.00 H new ATOM 0 HB THR A 62 7.466 -11.543 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.607 -11.116 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.026 -12.134 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.329 -11.624 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.533 -10.508 -2.520 1.00 0.00 H new ATOM 933 N SER A 63 5.584 -9.733 2.063 1.00 0.00 N ATOM 934 CA SER A 63 5.422 -9.593 3.505 1.00 0.00 C ATOM 935 C SER A 63 5.959 -10.821 4.234 1.00 0.00 C ATOM 936 O SER A 63 5.666 -11.957 3.860 1.00 0.00 O ATOM 937 CB SER A 63 3.947 -9.382 3.855 1.00 0.00 C ATOM 938 OG SER A 63 3.801 -8.907 5.182 1.00 0.00 O ATOM 0 H SER A 63 4.776 -10.132 1.585 1.00 0.00 H new ATOM 0 HA SER A 63 5.993 -8.722 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.503 -8.670 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.405 -10.320 3.740 1.00 0.00 H new ATOM 0 HG SER A 63 2.850 -8.779 5.381 1.00 0.00 H new ATOM 1028 N TYR A 70 12.283 -3.932 -3.197 1.00 0.00 N ATOM 1029 CA TYR A 70 10.996 -3.247 -3.207 1.00 0.00 C ATOM 1030 C TYR A 70 10.682 -2.697 -4.595 1.00 0.00 C ATOM 1031 O TYR A 70 11.561 -2.181 -5.285 1.00 0.00 O ATOM 1032 CB TYR A 70 10.991 -2.111 -2.183 1.00 0.00 C ATOM 1033 CG TYR A 70 10.466 -2.521 -0.826 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.230 -3.306 0.029 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.206 -2.122 -0.397 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.754 -3.684 1.269 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.722 -2.493 0.843 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.499 -3.275 1.672 1.00 0.00 C ATOM 1039 OH TYR A 70 9.022 -3.648 2.907 1.00 0.00 O ATOM 0 HA TYR A 70 10.226 -3.971 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.006 -1.730 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.383 -1.291 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.214 -3.626 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.594 -1.511 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.361 -4.296 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.741 -2.172 1.161 1.00 0.00 H new ATOM 0 HH TYR A 70 8.246 -3.096 3.139 1.00 0.00 H new ATOM 1049 N LYS A 71 9.421 -2.810 -4.997 1.00 0.00 N ATOM 1050 CA LYS A 71 8.987 -2.323 -6.302 1.00 0.00 C ATOM 1051 C LYS A 71 8.382 -0.927 -6.188 1.00 0.00 C ATOM 1052 O LYS A 71 7.927 -0.523 -5.118 1.00 0.00 O ATOM 1053 CB LYS A 71 7.965 -3.284 -6.913 1.00 0.00 C ATOM 1054 CG LYS A 71 7.958 -3.279 -8.432 1.00 0.00 C ATOM 1055 CD LYS A 71 7.363 -4.559 -8.992 1.00 0.00 C ATOM 1056 CE LYS A 71 7.672 -4.717 -10.473 1.00 0.00 C ATOM 1057 NZ LYS A 71 8.937 -5.470 -10.698 1.00 0.00 N ATOM 0 H LYS A 71 8.681 -3.235 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 71 9.861 -2.270 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.174 -4.295 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.971 -3.021 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.386 -2.424 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.977 -3.159 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.757 -5.415 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.283 -4.555 -8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.848 -5.236 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.748 -3.733 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.113 -5.556 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.727 -4.962 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.856 -6.418 -10.279 1.00 0.00 H new ATOM 1071 N SER A 72 8.381 -0.196 -7.298 1.00 0.00 N ATOM 1072 CA SER A 72 7.835 1.156 -7.322 1.00 0.00 C ATOM 1073 C SER A 72 7.439 1.557 -8.739 1.00 0.00 C ATOM 1074 O SER A 72 8.143 1.252 -9.701 1.00 0.00 O ATOM 1075 CB SER A 72 8.854 2.151 -6.764 1.00 0.00 C ATOM 1076 OG SER A 72 10.073 2.091 -7.485 1.00 0.00 O ATOM 0 H SER A 72 8.752 -0.517 -8.192 1.00 0.00 H new ATOM 0 HA SER A 72 6.943 1.172 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.447 3.161 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.039 1.935 -5.712 1.00 0.00 H new ATOM 0 HG SER A 72 10.707 2.737 -7.110 1.00 0.00 H new ATOM 1082 N GLU A 73 6.306 2.242 -8.859 1.00 0.00 N ATOM 1083 CA GLU A 73 5.815 2.684 -10.159 1.00 0.00 C ATOM 1084 C GLU A 73 5.233 4.092 -10.071 1.00 0.00 C ATOM 1085 O GLU A 73 5.058 4.636 -8.981 1.00 0.00 O ATOM 1086 CB GLU A 73 4.756 1.714 -10.686 1.00 0.00 C ATOM 1087 CG GLU A 73 5.296 0.326 -10.987 1.00 0.00 C ATOM 1088 CD GLU A 73 6.166 0.295 -12.228 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.844 1.307 -12.504 1.00 0.00 O ATOM 1090 OE2 GLU A 73 6.167 -0.741 -12.925 1.00 0.00 O ATOM 0 H GLU A 73 5.711 2.503 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 73 6.658 2.701 -10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.954 1.631 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.316 2.128 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.874 -0.028 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.462 -0.364 -11.115 1.00 0.00 H new ATOM 1097 N ASP A 74 4.936 4.676 -11.227 1.00 0.00 N ATOM 1098 CA ASP A 74 4.373 6.020 -11.281 1.00 0.00 C ATOM 1099 C ASP A 74 3.012 6.012 -11.971 1.00 0.00 C ATOM 1100 O ASP A 74 2.878 5.533 -13.098 1.00 0.00 O ATOM 1101 CB ASP A 74 5.325 6.966 -12.015 1.00 0.00 C ATOM 1102 CG ASP A 74 5.119 6.943 -13.517 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.550 5.964 -14.161 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.526 7.905 -14.049 1.00 0.00 O ATOM 0 H ASP A 74 5.076 4.240 -12.138 1.00 0.00 H new ATOM 0 HA ASP A 74 4.240 6.373 -10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.179 7.981 -11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.355 6.689 -11.788 1.00 0.00 H new ATOM 1109 N THR A 75 2.004 6.545 -11.288 1.00 0.00 N ATOM 1110 CA THR A 75 0.654 6.597 -11.833 1.00 0.00 C ATOM 1111 C THR A 75 -0.024 7.921 -11.499 1.00 0.00 C ATOM 1112 O THR A 75 0.097 8.428 -10.383 1.00 0.00 O ATOM 1113 CB THR A 75 -0.213 5.441 -11.299 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.471 5.415 -11.983 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.446 5.586 -9.803 1.00 0.00 C ATOM 0 H THR A 75 2.098 6.947 -10.355 1.00 0.00 H new ATOM 0 HA THR A 75 0.747 6.502 -12.915 1.00 0.00 H new ATOM 0 HB THR A 75 0.317 4.506 -11.479 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.015 4.676 -11.639 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.061 4.758 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.512 5.575 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.956 6.528 -9.604 1.00 0.00 H new ATOM 1123 N THR A 76 -0.738 8.477 -12.472 1.00 0.00 N ATOM 1124 CA THR A 76 -1.435 9.743 -12.281 1.00 0.00 C ATOM 1125 C THR A 76 -2.879 9.516 -11.849 1.00 0.00 C ATOM 1126 O THR A 76 -3.764 10.312 -12.165 1.00 0.00 O ATOM 1127 CB THR A 76 -1.423 10.591 -13.567 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.790 9.782 -14.690 1.00 0.00 O ATOM 1129 CG2 THR A 76 -0.048 11.199 -13.801 1.00 0.00 C ATOM 0 H THR A 76 -0.849 8.070 -13.401 1.00 0.00 H new ATOM 0 HA THR A 76 -0.904 10.280 -11.495 1.00 0.00 H new ATOM 0 HB THR A 76 -2.145 11.399 -13.450 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.782 10.328 -15.503 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.064 11.793 -14.715 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.216 11.837 -12.958 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.690 10.403 -13.899 1.00 0.00 H new ATOM 1137 N SER A 77 -3.112 8.425 -11.126 1.00 0.00 N ATOM 1138 CA SER A 77 -4.450 8.092 -10.654 1.00 0.00 C ATOM 1139 C SER A 77 -4.402 7.536 -9.234 1.00 0.00 C ATOM 1140 O SER A 77 -3.351 7.107 -8.758 1.00 0.00 O ATOM 1141 CB SER A 77 -5.106 7.075 -11.590 1.00 0.00 C ATOM 1142 OG SER A 77 -5.132 7.553 -12.924 1.00 0.00 O ATOM 0 H SER A 77 -2.391 7.757 -10.855 1.00 0.00 H new ATOM 0 HA SER A 77 -5.044 9.006 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.560 6.133 -11.549 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.122 6.869 -11.254 1.00 0.00 H new ATOM 0 HG SER A 77 -5.555 6.885 -13.503 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.549 7.546 -8.562 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.640 7.043 -7.196 1.00 0.00 C ATOM 1150 C LEU A 78 -5.872 5.536 -7.185 1.00 0.00 C ATOM 1151 O LEU A 78 -6.564 5.010 -6.313 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.769 7.750 -6.445 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.660 9.272 -6.347 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.013 9.884 -6.017 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.626 9.666 -5.302 1.00 0.00 C ATOM 0 H LEU A 78 -6.428 7.897 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.694 7.250 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.712 7.504 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.817 7.343 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.336 9.657 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.916 10.968 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.728 9.631 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.366 9.493 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.562 10.753 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.921 9.269 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.654 9.259 -5.580 1.00 0.00 H new ATOM 1167 N SER A 79 -5.287 4.845 -8.159 1.00 0.00 N ATOM 1168 CA SER A 79 -5.432 3.398 -8.263 1.00 0.00 C ATOM 1169 C SER A 79 -4.368 2.810 -9.185 1.00 0.00 C ATOM 1170 O SER A 79 -4.075 3.364 -10.245 1.00 0.00 O ATOM 1171 CB SER A 79 -6.826 3.039 -8.780 1.00 0.00 C ATOM 1172 OG SER A 79 -7.034 3.553 -10.084 1.00 0.00 O ATOM 0 H SER A 79 -4.708 5.264 -8.887 1.00 0.00 H new ATOM 0 HA SER A 79 -5.301 2.973 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.946 1.956 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.582 3.438 -8.104 1.00 0.00 H new ATOM 0 HG SER A 79 -7.931 3.309 -10.393 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.793 1.686 -8.773 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.759 1.024 -9.560 1.00 0.00 C ATOM 1180 C TYR A 80 -2.977 -0.486 -9.584 1.00 0.00 C ATOM 1181 O TYR A 80 -3.395 -1.082 -8.590 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.375 1.342 -8.993 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.267 0.509 -9.597 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.022 -0.785 -9.153 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.535 1.015 -10.613 1.00 0.00 C ATOM 1186 CE1 TYR A 80 0.990 -1.549 -9.701 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.547 0.258 -11.169 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.771 -1.023 -10.709 1.00 0.00 C ATOM 1189 OH TYR A 80 2.779 -1.782 -11.259 1.00 0.00 O ATOM 0 H TYR A 80 -4.025 1.214 -7.899 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.820 1.398 -10.582 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.157 2.397 -9.160 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.389 1.186 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.634 -1.200 -8.366 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.364 2.018 -10.974 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.169 -2.552 -9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.159 0.666 -11.959 1.00 0.00 H new ATOM 0 HH TYR A 80 3.062 -2.465 -10.616 1.00 0.00 H new ATOM 1199 N THR A 81 -2.689 -1.101 -10.727 1.00 0.00 N ATOM 1200 CA THR A 81 -2.852 -2.541 -10.882 1.00 0.00 C ATOM 1201 C THR A 81 -1.506 -3.255 -10.842 1.00 0.00 C ATOM 1202 O THR A 81 -0.666 -3.065 -11.720 1.00 0.00 O ATOM 1203 CB THR A 81 -3.564 -2.886 -12.204 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.695 -2.027 -12.390 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.017 -4.338 -12.212 1.00 0.00 C ATOM 0 H THR A 81 -2.342 -0.624 -11.559 1.00 0.00 H new ATOM 0 HA THR A 81 -3.465 -2.881 -10.047 1.00 0.00 H new ATOM 0 HB THR A 81 -2.858 -2.738 -13.021 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.141 -2.251 -13.233 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.517 -4.558 -13.155 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.151 -4.990 -12.100 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.708 -4.508 -11.387 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.308 -4.078 -9.817 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.065 -4.823 -9.665 1.00 0.00 C ATOM 1215 C ALA A 82 -0.167 -6.200 -10.310 1.00 0.00 C ATOM 1216 O ALA A 82 -0.611 -7.162 -9.681 1.00 0.00 O ATOM 1217 CB ALA A 82 0.295 -4.953 -8.192 1.00 0.00 C ATOM 0 H ALA A 82 -1.993 -4.245 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 82 0.725 -4.271 -10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.226 -5.512 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.420 -3.961 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.502 -5.480 -7.668 1.00 0.00 H new ATOM 1223 N THR A 83 0.245 -6.291 -11.571 1.00 0.00 N ATOM 1224 CA THR A 83 0.198 -7.550 -12.302 1.00 0.00 C ATOM 1225 C THR A 83 1.539 -8.273 -12.239 1.00 0.00 C ATOM 1226 O THR A 83 2.591 -7.643 -12.141 1.00 0.00 O ATOM 1227 CB THR A 83 -0.183 -7.329 -13.778 1.00 0.00 C ATOM 1228 OG1 THR A 83 0.753 -6.440 -14.398 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.588 -6.756 -13.894 1.00 0.00 C ATOM 0 H THR A 83 0.615 -5.506 -12.107 1.00 0.00 H new ATOM 0 HA THR A 83 -0.566 -8.164 -11.825 1.00 0.00 H new ATOM 0 HB THR A 83 -0.158 -8.293 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.505 -6.306 -15.337 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.835 -6.608 -14.945 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.301 -7.449 -13.447 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.635 -5.800 -13.373 1.00 0.00 H new ATOM 1237 N GLY A 84 1.493 -9.601 -12.296 1.00 0.00 N ATOM 1238 CA GLY A 84 2.711 -10.388 -12.244 1.00 0.00 C ATOM 1239 C GLY A 84 3.228 -10.564 -10.830 1.00 0.00 C ATOM 1240 O GLY A 84 4.401 -10.310 -10.553 1.00 0.00 O ATOM 0 H GLY A 84 0.634 -10.145 -12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.526 -11.368 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.478 -9.906 -12.850 1.00 0.00 H new ATOM 1244 N LEU A 85 2.351 -10.998 -9.931 1.00 0.00 N ATOM 1245 CA LEU A 85 2.725 -11.207 -8.537 1.00 0.00 C ATOM 1246 C LEU A 85 2.712 -12.691 -8.185 1.00 0.00 C ATOM 1247 O LEU A 85 2.316 -13.529 -8.996 1.00 0.00 O ATOM 1248 CB LEU A 85 1.772 -10.445 -7.614 1.00 0.00 C ATOM 1249 CG LEU A 85 1.459 -9.003 -8.015 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.189 -8.522 -7.330 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.628 -8.089 -7.678 1.00 0.00 C ATOM 0 H LEU A 85 1.376 -11.212 -10.143 1.00 0.00 H new ATOM 0 HA LEU A 85 3.738 -10.829 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.834 -10.997 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.198 -10.438 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 85 1.300 -8.973 -9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.018 -7.494 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.646 -9.159 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.319 -8.568 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.387 -7.067 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.820 -8.124 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.516 -8.421 -8.216 1.00 0.00 H new ATOM 1263 N LYS A 86 3.146 -13.010 -6.971 1.00 0.00 N ATOM 1264 CA LYS A 86 3.182 -14.393 -6.509 1.00 0.00 C ATOM 1265 C LYS A 86 1.811 -14.834 -6.006 1.00 0.00 C ATOM 1266 O LYS A 86 1.161 -14.147 -5.219 1.00 0.00 O ATOM 1267 CB LYS A 86 4.221 -14.554 -5.397 1.00 0.00 C ATOM 1268 CG LYS A 86 4.545 -16.002 -5.073 1.00 0.00 C ATOM 1269 CD LYS A 86 5.188 -16.137 -3.703 1.00 0.00 C ATOM 1270 CE LYS A 86 6.696 -15.950 -3.775 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.072 -14.515 -3.905 1.00 0.00 N ATOM 0 H LYS A 86 3.478 -12.329 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 86 3.461 -15.025 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.138 -14.042 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.856 -14.062 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.632 -16.596 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.216 -16.404 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.761 -15.398 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.961 -17.119 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.157 -16.366 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.091 -16.507 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.991 -14.354 -3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.139 -14.264 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.349 -13.924 -3.448 1.00 0.00 H new ATOM 1285 N PRO A 87 1.360 -16.009 -6.470 1.00 0.00 N ATOM 1286 CA PRO A 87 0.063 -16.570 -6.078 1.00 0.00 C ATOM 1287 C PRO A 87 0.043 -17.025 -4.623 1.00 0.00 C ATOM 1288 O PRO A 87 1.083 -17.350 -4.051 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.103 -17.768 -7.016 1.00 0.00 C ATOM 1290 CG PRO A 87 1.287 -18.159 -7.382 1.00 0.00 C ATOM 1291 CD PRO A 87 2.082 -16.882 -7.411 1.00 0.00 C ATOM 0 HA PRO A 87 -0.739 -15.836 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.628 -18.587 -6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.685 -17.502 -7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.700 -18.859 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.310 -18.655 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.114 -17.044 -7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.116 -16.453 -8.412 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.146 -17.045 -4.030 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.300 -17.461 -2.641 1.00 0.00 C ATOM 1301 C ASN A 88 -0.289 -16.751 -1.745 1.00 0.00 C ATOM 1302 O ASN A 88 0.155 -17.298 -0.735 1.00 0.00 O ATOM 1303 CB ASN A 88 -1.131 -18.976 -2.518 1.00 0.00 C ATOM 1304 CG ASN A 88 0.280 -19.429 -2.843 1.00 0.00 C ATOM 1305 OD1 ASN A 88 1.240 -19.021 -2.190 1.00 0.00 O ATOM 1306 ND2 ASN A 88 0.410 -20.275 -3.858 1.00 0.00 N ATOM 0 H ASN A 88 -2.017 -16.778 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.303 -17.187 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.385 -19.286 -1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.833 -19.473 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.335 -20.613 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.415 -20.586 -4.371 1.00 0.00 H new ATOM 1313 N THR A 89 0.070 -15.527 -2.122 1.00 0.00 N ATOM 1314 CA THR A 89 1.028 -14.742 -1.355 1.00 0.00 C ATOM 1315 C THR A 89 0.528 -13.318 -1.144 1.00 0.00 C ATOM 1316 O THR A 89 -0.017 -12.700 -2.058 1.00 0.00 O ATOM 1317 CB THR A 89 2.402 -14.694 -2.051 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.604 -15.886 -2.818 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.521 -14.545 -1.031 1.00 0.00 C ATOM 0 H THR A 89 -0.289 -15.059 -2.954 1.00 0.00 H new ATOM 0 HA THR A 89 1.136 -15.233 -0.388 1.00 0.00 H new ATOM 0 HB THR A 89 2.419 -13.829 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.947 -15.923 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.481 -14.513 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.380 -13.622 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.504 -15.393 -0.346 1.00 0.00 H new ATOM 1327 N MET A 90 0.718 -12.802 0.066 1.00 0.00 N ATOM 1328 CA MET A 90 0.287 -11.448 0.396 1.00 0.00 C ATOM 1329 C MET A 90 1.488 -10.536 0.626 1.00 0.00 C ATOM 1330 O MET A 90 2.555 -10.992 1.039 1.00 0.00 O ATOM 1331 CB MET A 90 -0.604 -11.462 1.640 1.00 0.00 C ATOM 1332 CG MET A 90 -0.917 -10.075 2.178 1.00 0.00 C ATOM 1333 SD MET A 90 -1.837 -10.124 3.728 1.00 0.00 S ATOM 1334 CE MET A 90 -0.597 -10.790 4.836 1.00 0.00 C ATOM 0 H MET A 90 1.167 -13.301 0.834 1.00 0.00 H new ATOM 0 HA MET A 90 -0.285 -11.060 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.539 -11.970 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.115 -12.044 2.421 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.014 -9.529 2.330 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.493 -9.523 1.435 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.867 -10.557 5.866 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.541 -11.871 4.711 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.372 -10.347 4.606 1.00 0.00 H new ATOM 1344 N TYR A 91 1.307 -9.248 0.358 1.00 0.00 N ATOM 1345 CA TYR A 91 2.377 -8.273 0.533 1.00 0.00 C ATOM 1346 C TYR A 91 1.831 -6.957 1.078 1.00 0.00 C ATOM 1347 O TYR A 91 0.622 -6.796 1.245 1.00 0.00 O ATOM 1348 CB TYR A 91 3.096 -8.029 -0.794 1.00 0.00 C ATOM 1349 CG TYR A 91 2.936 -9.159 -1.786 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.448 -10.422 -1.519 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.274 -8.962 -2.992 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.304 -11.458 -2.422 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.124 -9.992 -3.901 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.641 -11.237 -3.611 1.00 0.00 C ATOM 1355 OH TYR A 91 2.496 -12.265 -4.515 1.00 0.00 O ATOM 0 H TYR A 91 0.429 -8.854 0.019 1.00 0.00 H new ATOM 0 HA TYR A 91 3.087 -8.677 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.717 -7.109 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.157 -7.875 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.968 -10.598 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.870 -7.987 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.708 -12.434 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.605 -9.823 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 91 1.677 -12.764 -4.314 1.00 0.00 H new ATOM 1365 N GLU A 92 2.731 -6.018 1.353 1.00 0.00 N ATOM 1366 CA GLU A 92 2.340 -4.716 1.879 1.00 0.00 C ATOM 1367 C GLU A 92 2.358 -3.657 0.780 1.00 0.00 C ATOM 1368 O GLU A 92 3.371 -3.461 0.109 1.00 0.00 O ATOM 1369 CB GLU A 92 3.273 -4.300 3.018 1.00 0.00 C ATOM 1370 CG GLU A 92 4.476 -3.495 2.557 1.00 0.00 C ATOM 1371 CD GLU A 92 5.585 -3.458 3.590 1.00 0.00 C ATOM 1372 OE1 GLU A 92 6.113 -4.536 3.934 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.925 -2.350 4.055 1.00 0.00 O ATOM 0 H GLU A 92 3.736 -6.135 1.220 1.00 0.00 H new ATOM 0 HA GLU A 92 1.323 -4.799 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.709 -3.712 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.621 -5.194 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.861 -3.923 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.161 -2.476 2.331 1.00 0.00 H new ATOM 1380 N PHE A 93 1.229 -2.979 0.602 1.00 0.00 N ATOM 1381 CA PHE A 93 1.114 -1.941 -0.416 1.00 0.00 C ATOM 1382 C PHE A 93 0.910 -0.571 0.224 1.00 0.00 C ATOM 1383 O PHE A 93 0.103 -0.416 1.141 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.048 -2.252 -1.362 1.00 0.00 C ATOM 1385 CG PHE A 93 0.175 -3.476 -2.204 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.010 -4.742 -1.667 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.551 -3.359 -3.533 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.216 -5.869 -2.440 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.758 -4.483 -4.311 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.589 -5.740 -3.764 1.00 0.00 C ATOM 0 H PHE A 93 0.381 -3.129 1.149 1.00 0.00 H new ATOM 0 HA PHE A 93 2.043 -1.922 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.957 -2.385 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.212 -1.396 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.283 -4.850 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.684 -2.378 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.085 -6.851 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.051 -4.378 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.748 -6.620 -4.370 1.00 0.00 H new ATOM 1400 N SER A 94 1.649 0.420 -0.265 1.00 0.00 N ATOM 1401 CA SER A 94 1.554 1.776 0.261 1.00 0.00 C ATOM 1402 C SER A 94 1.307 2.779 -0.862 1.00 0.00 C ATOM 1403 O SER A 94 1.254 2.412 -2.036 1.00 0.00 O ATOM 1404 CB SER A 94 2.832 2.143 1.017 1.00 0.00 C ATOM 1405 OG SER A 94 2.638 3.297 1.816 1.00 0.00 O ATOM 0 H SER A 94 2.320 0.309 -1.025 1.00 0.00 H new ATOM 0 HA SER A 94 0.710 1.814 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.138 1.308 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.640 2.320 0.307 1.00 0.00 H new ATOM 0 HG SER A 94 2.156 3.052 2.633 1.00 0.00 H new ATOM 1411 N VAL A 95 1.157 4.047 -0.493 1.00 0.00 N ATOM 1412 CA VAL A 95 0.917 5.104 -1.468 1.00 0.00 C ATOM 1413 C VAL A 95 1.462 6.440 -0.975 1.00 0.00 C ATOM 1414 O VAL A 95 1.432 6.731 0.220 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.585 5.256 -1.773 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.821 6.411 -2.733 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.148 3.960 -2.336 1.00 0.00 C ATOM 0 H VAL A 95 1.197 4.367 0.475 1.00 0.00 H new ATOM 0 HA VAL A 95 1.438 4.817 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.106 5.477 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.888 6.503 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.456 7.336 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.289 6.224 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.210 4.086 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.624 3.705 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.014 3.159 -1.609 1.00 0.00 H new ATOM 1427 N MET A 96 1.959 7.249 -1.905 1.00 0.00 N ATOM 1428 CA MET A 96 2.509 8.556 -1.565 1.00 0.00 C ATOM 1429 C MET A 96 2.298 9.547 -2.705 1.00 0.00 C ATOM 1430 O MET A 96 1.728 9.206 -3.741 1.00 0.00 O ATOM 1431 CB MET A 96 4.001 8.437 -1.246 1.00 0.00 C ATOM 1432 CG MET A 96 4.816 7.819 -2.370 1.00 0.00 C ATOM 1433 SD MET A 96 5.387 9.041 -3.567 1.00 0.00 S ATOM 1434 CE MET A 96 6.585 9.941 -2.587 1.00 0.00 C ATOM 0 H MET A 96 1.992 7.023 -2.899 1.00 0.00 H new ATOM 0 HA MET A 96 1.985 8.926 -0.684 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.397 9.428 -1.024 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.125 7.835 -0.346 1.00 0.00 H new ATOM 0 HG2 MET A 96 5.677 7.301 -1.947 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.212 7.069 -2.882 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.253 10.972 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.682 9.471 -1.608 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.551 9.929 -3.092 1.00 0.00 H new ATOM 1444 N VAL A 97 2.762 10.777 -2.506 1.00 0.00 N ATOM 1445 CA VAL A 97 2.625 11.819 -3.518 1.00 0.00 C ATOM 1446 C VAL A 97 3.874 12.690 -3.583 1.00 0.00 C ATOM 1447 O VAL A 97 4.526 12.937 -2.568 1.00 0.00 O ATOM 1448 CB VAL A 97 1.402 12.713 -3.240 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.513 13.358 -1.866 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.259 13.771 -4.324 1.00 0.00 C ATOM 0 H VAL A 97 3.236 11.076 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 97 2.488 11.315 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 97 0.508 12.090 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.640 13.986 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.564 12.582 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.415 13.969 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.390 14.394 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.154 14.392 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.130 13.286 -5.291 1.00 0.00 H new ATOM 1460 N THR A 98 4.203 13.154 -4.785 1.00 0.00 N ATOM 1461 CA THR A 98 5.374 13.998 -4.983 1.00 0.00 C ATOM 1462 C THR A 98 5.001 15.303 -5.676 1.00 0.00 C ATOM 1463 O THR A 98 4.795 15.338 -6.889 1.00 0.00 O ATOM 1464 CB THR A 98 6.451 13.277 -5.817 1.00 0.00 C ATOM 1465 OG1 THR A 98 6.896 12.102 -5.132 1.00 0.00 O ATOM 1466 CG2 THR A 98 7.634 14.195 -6.083 1.00 0.00 C ATOM 0 H THR A 98 3.675 12.959 -5.635 1.00 0.00 H new ATOM 0 HA THR A 98 5.776 14.217 -3.994 1.00 0.00 H new ATOM 0 HB THR A 98 6.010 12.994 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.579 11.649 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.381 13.664 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.296 15.074 -6.631 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.074 14.505 -5.135 1.00 0.00 H new ATOM 1474 N LYS A 99 4.915 16.377 -4.898 1.00 0.00 N ATOM 1475 CA LYS A 99 4.568 17.687 -5.436 1.00 0.00 C ATOM 1476 C LYS A 99 5.623 18.724 -5.065 1.00 0.00 C ATOM 1477 O LYS A 99 6.293 18.603 -4.040 1.00 0.00 O ATOM 1478 CB LYS A 99 3.198 18.128 -4.916 1.00 0.00 C ATOM 1479 CG LYS A 99 2.597 19.287 -5.692 1.00 0.00 C ATOM 1480 CD LYS A 99 1.080 19.291 -5.603 1.00 0.00 C ATOM 1481 CE LYS A 99 0.596 20.031 -4.366 1.00 0.00 C ATOM 1482 NZ LYS A 99 -0.841 19.760 -4.084 1.00 0.00 N ATOM 0 H LYS A 99 5.081 16.366 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 99 4.529 17.607 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.513 17.281 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.291 18.413 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.988 20.228 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.901 19.223 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.663 19.760 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.713 18.265 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.197 19.734 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.743 21.102 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.132 20.283 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.417 20.067 -4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.978 18.741 -3.928 1.00 0.00 H new ATOM 1496 N ASN A 100 5.764 19.745 -5.905 1.00 0.00 N ATOM 1497 CA ASN A 100 6.737 20.804 -5.665 1.00 0.00 C ATOM 1498 C ASN A 100 8.157 20.245 -5.651 1.00 0.00 C ATOM 1499 O ASN A 100 8.900 20.434 -4.687 1.00 0.00 O ATOM 1500 CB ASN A 100 6.440 21.506 -4.338 1.00 0.00 C ATOM 1501 CG ASN A 100 5.167 22.328 -4.391 1.00 0.00 C ATOM 1502 OD1 ASN A 100 4.073 21.815 -4.157 1.00 0.00 O ATOM 1503 ND2 ASN A 100 5.305 23.612 -4.701 1.00 0.00 N ATOM 0 H ASN A 100 5.216 19.861 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 100 6.658 21.527 -6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.355 20.761 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.277 22.154 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.484 24.215 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.232 23.995 -4.887 1.00 0.00 H new ATOM 1510 N ARG A 101 8.527 19.557 -6.726 1.00 0.00 N ATOM 1511 CA ARG A 101 9.857 18.971 -6.837 1.00 0.00 C ATOM 1512 C ARG A 101 10.303 18.378 -5.504 1.00 0.00 C ATOM 1513 O ARG A 101 11.471 18.478 -5.128 1.00 0.00 O ATOM 1514 CB ARG A 101 10.865 20.024 -7.302 1.00 0.00 C ATOM 1515 CG ARG A 101 11.163 21.085 -6.255 1.00 0.00 C ATOM 1516 CD ARG A 101 10.268 22.302 -6.425 1.00 0.00 C ATOM 1517 NE ARG A 101 10.783 23.224 -7.435 1.00 0.00 N ATOM 1518 CZ ARG A 101 10.379 23.228 -8.700 1.00 0.00 C ATOM 1519 NH1 ARG A 101 9.459 22.366 -9.109 1.00 0.00 N ATOM 1520 NH2 ARG A 101 10.895 24.098 -9.559 1.00 0.00 N ATOM 0 H ARG A 101 7.924 19.392 -7.532 1.00 0.00 H new ATOM 0 HA ARG A 101 9.813 18.170 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.795 19.527 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.483 20.509 -8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.022 20.665 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.208 21.387 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.266 21.978 -6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.179 22.822 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 101 11.491 23.901 -7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 101 9.059 21.697 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.151 22.372 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 101 11.602 24.764 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 101 10.584 24.101 -10.531 1.00 0.00 H new ATOM 1534 N ARG A 102 9.365 17.761 -4.793 1.00 0.00 N ATOM 1535 CA ARG A 102 9.660 17.153 -3.501 1.00 0.00 C ATOM 1536 C ARG A 102 8.663 16.044 -3.181 1.00 0.00 C ATOM 1537 O ARG A 102 7.471 16.166 -3.463 1.00 0.00 O ATOM 1538 CB ARG A 102 9.633 18.212 -2.397 1.00 0.00 C ATOM 1539 CG ARG A 102 8.231 18.643 -2.001 1.00 0.00 C ATOM 1540 CD ARG A 102 8.216 19.294 -0.626 1.00 0.00 C ATOM 1541 NE ARG A 102 8.371 20.744 -0.706 1.00 0.00 N ATOM 1542 CZ ARG A 102 9.548 21.355 -0.771 1.00 0.00 C ATOM 1543 NH1 ARG A 102 10.668 20.645 -0.767 1.00 0.00 N ATOM 1544 NH2 ARG A 102 9.607 22.679 -0.842 1.00 0.00 N ATOM 0 H ARG A 102 8.394 17.669 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 102 10.658 16.717 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.146 17.821 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.192 19.086 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.842 19.343 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.569 17.777 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.279 19.057 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.019 18.876 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 102 7.529 21.319 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.626 19.627 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.571 21.117 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.748 23.228 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.512 23.147 -0.892 1.00 0.00 H new ATOM 1558 N SER A 103 9.159 14.961 -2.590 1.00 0.00 N ATOM 1559 CA SER A 103 8.313 13.828 -2.235 1.00 0.00 C ATOM 1560 C SER A 103 7.877 13.912 -0.775 1.00 0.00 C ATOM 1561 O SER A 103 8.557 14.516 0.054 1.00 0.00 O ATOM 1562 CB SER A 103 9.054 12.513 -2.483 1.00 0.00 C ATOM 1563 OG SER A 103 10.239 12.442 -1.709 1.00 0.00 O ATOM 0 H SER A 103 10.143 14.845 -2.347 1.00 0.00 H new ATOM 0 HA SER A 103 7.424 13.859 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.404 11.673 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.301 12.425 -3.541 1.00 0.00 H new ATOM 0 HG SER A 103 10.694 11.592 -1.884 1.00 0.00 H new ATOM 1569 N SER A 104 6.736 13.302 -0.469 1.00 0.00 N ATOM 1570 CA SER A 104 6.206 13.310 0.889 1.00 0.00 C ATOM 1571 C SER A 104 6.385 11.947 1.551 1.00 0.00 C ATOM 1572 O SER A 104 7.000 11.043 0.983 1.00 0.00 O ATOM 1573 CB SER A 104 4.725 13.693 0.879 1.00 0.00 C ATOM 1574 OG SER A 104 3.918 12.602 0.472 1.00 0.00 O ATOM 0 H SER A 104 6.161 12.796 -1.143 1.00 0.00 H new ATOM 0 HA SER A 104 6.762 14.050 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.424 14.020 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.569 14.536 0.206 1.00 0.00 H new ATOM 0 HG SER A 104 3.944 12.522 -0.504 1.00 0.00 H new ATOM 1580 N THR A 105 5.844 11.805 2.756 1.00 0.00 N ATOM 1581 CA THR A 105 5.944 10.554 3.497 1.00 0.00 C ATOM 1582 C THR A 105 4.873 9.564 3.052 1.00 0.00 C ATOM 1583 O THR A 105 3.853 9.954 2.484 1.00 0.00 O ATOM 1584 CB THR A 105 5.813 10.787 5.014 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.143 9.588 5.724 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.401 11.223 5.375 1.00 0.00 C ATOM 0 H THR A 105 5.331 12.542 3.240 1.00 0.00 H new ATOM 0 HA THR A 105 6.929 10.139 3.285 1.00 0.00 H new ATOM 0 HB THR A 105 6.505 11.580 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.059 9.745 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.333 11.381 6.451 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.163 12.151 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.694 10.449 5.077 1.00 0.00 H new ATOM 1594 N TRP A 106 5.111 8.285 3.315 1.00 0.00 N ATOM 1595 CA TRP A 106 4.165 7.239 2.942 1.00 0.00 C ATOM 1596 C TRP A 106 3.031 7.144 3.956 1.00 0.00 C ATOM 1597 O TRP A 106 3.190 7.523 5.116 1.00 0.00 O ATOM 1598 CB TRP A 106 4.881 5.892 2.830 1.00 0.00 C ATOM 1599 CG TRP A 106 5.955 5.875 1.786 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.232 6.341 1.916 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.846 5.367 0.452 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.923 6.154 0.743 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.095 5.557 -0.171 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.815 4.767 -0.277 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.337 5.171 -1.486 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.057 4.385 -1.583 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.310 4.587 -2.176 1.00 0.00 C ATOM 0 H TRP A 106 5.951 7.946 3.785 1.00 0.00 H new ATOM 0 HA TRP A 106 3.739 7.497 1.973 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.319 5.640 3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.149 5.118 2.601 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.639 6.791 2.810 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.895 6.417 0.579 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.846 4.605 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.302 5.327 -1.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.267 3.923 -2.156 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.468 4.276 -3.198 1.00 0.00 H new ATOM 1618 N SER A 107 1.886 6.635 3.512 1.00 0.00 N ATOM 1619 CA SER A 107 0.724 6.493 4.381 1.00 0.00 C ATOM 1620 C SER A 107 0.601 5.062 4.894 1.00 0.00 C ATOM 1621 O SER A 107 1.359 4.180 4.492 1.00 0.00 O ATOM 1622 CB SER A 107 -0.550 6.891 3.633 1.00 0.00 C ATOM 1623 OG SER A 107 -1.695 6.722 4.450 1.00 0.00 O ATOM 0 H SER A 107 1.738 6.314 2.555 1.00 0.00 H new ATOM 0 HA SER A 107 0.857 7.156 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.478 7.931 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.650 6.286 2.732 1.00 0.00 H new ATOM 0 HG SER A 107 -2.147 7.584 4.563 1.00 0.00 H new ATOM 1629 N MET A 108 -0.361 4.840 5.784 1.00 0.00 N ATOM 1630 CA MET A 108 -0.585 3.516 6.352 1.00 0.00 C ATOM 1631 C MET A 108 -0.573 2.448 5.263 1.00 0.00 C ATOM 1632 O MET A 108 -1.292 2.552 4.269 1.00 0.00 O ATOM 1633 CB MET A 108 -1.917 3.479 7.105 1.00 0.00 C ATOM 1634 CG MET A 108 -3.087 4.012 6.294 1.00 0.00 C ATOM 1635 SD MET A 108 -4.624 3.131 6.630 1.00 0.00 S ATOM 1636 CE MET A 108 -4.720 2.060 5.197 1.00 0.00 C ATOM 0 H MET A 108 -0.997 5.560 6.127 1.00 0.00 H new ATOM 0 HA MET A 108 0.225 3.306 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.129 2.452 7.402 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.824 4.063 8.021 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.224 5.071 6.514 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.853 3.935 5.232 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.345 1.198 5.428 1.00 0.00 H new ATOM 0 HE2 MET A 108 -5.154 2.609 4.361 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.719 1.721 4.929 1.00 0.00 H new ATOM 1646 N THR A 109 0.248 1.421 5.456 1.00 0.00 N ATOM 1647 CA THR A 109 0.355 0.335 4.490 1.00 0.00 C ATOM 1648 C THR A 109 -0.847 -0.598 4.577 1.00 0.00 C ATOM 1649 O THR A 109 -1.401 -0.814 5.655 1.00 0.00 O ATOM 1650 CB THR A 109 1.642 -0.483 4.704 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.771 0.394 4.795 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.851 -1.471 3.566 1.00 0.00 C ATOM 0 H THR A 109 0.849 1.318 6.274 1.00 0.00 H new ATOM 0 HA THR A 109 0.385 0.793 3.501 1.00 0.00 H new ATOM 0 HB THR A 109 1.541 -1.041 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.585 -0.134 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.766 -2.037 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.004 -2.156 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.933 -0.929 2.624 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.246 -1.150 3.436 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.381 -2.063 3.385 1.00 0.00 C ATOM 1662 C ALA A 110 -1.929 -3.484 3.063 1.00 0.00 C ATOM 1663 O ALA A 110 -0.839 -3.694 2.530 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.397 -1.586 2.358 1.00 0.00 C ATOM 0 H ALA A 110 -0.800 -0.981 2.534 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.851 -2.073 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.239 -2.278 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.752 -0.592 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.929 -1.546 1.375 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.773 -4.457 3.392 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.459 -5.859 3.138 1.00 0.00 C ATOM 1672 C HIS A 111 -3.490 -6.486 2.204 1.00 0.00 C ATOM 1673 O HIS A 111 -4.654 -6.086 2.192 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.405 -6.637 4.453 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.119 -6.462 5.200 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.118 -6.513 4.592 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.882 -6.233 6.513 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.060 -6.325 5.499 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.480 -6.152 6.672 1.00 0.00 N ATOM 0 H HIS A 111 -3.679 -4.301 3.835 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.482 -5.906 2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.231 -6.318 5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.554 -7.697 4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.625 -6.133 7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.124 -6.315 5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.965 -5.985 7.554 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.054 -7.469 1.424 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.940 -8.151 0.488 1.00 0.00 C ATOM 1690 C ALA A 112 -3.293 -9.422 -0.052 1.00 0.00 C ATOM 1691 O ALA A 112 -2.221 -9.379 -0.656 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.316 -7.221 -0.656 1.00 0.00 C ATOM 0 H ALA A 112 -2.093 -7.811 1.421 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.846 -8.434 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.978 -7.743 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.826 -6.343 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.414 -6.909 -1.183 1.00 0.00 H new ATOM 1698 N THR A 113 -3.952 -10.556 0.171 1.00 0.00 N ATOM 1699 CA THR A 113 -3.441 -11.840 -0.291 1.00 0.00 C ATOM 1700 C THR A 113 -4.031 -12.212 -1.647 1.00 0.00 C ATOM 1701 O THR A 113 -5.231 -12.056 -1.877 1.00 0.00 O ATOM 1702 CB THR A 113 -3.750 -12.963 0.716 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.610 -12.473 2.054 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.822 -14.150 0.505 1.00 0.00 C ATOM 0 H THR A 113 -4.841 -10.610 0.669 1.00 0.00 H new ATOM 0 HA THR A 113 -2.360 -11.734 -0.385 1.00 0.00 H new ATOM 0 HB THR A 113 -4.777 -13.292 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.810 -13.193 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.059 -14.930 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.953 -14.539 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.788 -13.832 0.641 1.00 0.00 H new ATOM 1712 N THR A 114 -3.182 -12.705 -2.542 1.00 0.00 N ATOM 1713 CA THR A 114 -3.620 -13.099 -3.875 1.00 0.00 C ATOM 1714 C THR A 114 -4.279 -14.473 -3.854 1.00 0.00 C ATOM 1715 O THR A 114 -4.051 -15.268 -2.942 1.00 0.00 O ATOM 1716 CB THR A 114 -2.443 -13.122 -4.869 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.343 -13.847 -4.309 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.001 -11.709 -5.218 1.00 0.00 C ATOM 0 H THR A 114 -2.186 -12.841 -2.368 1.00 0.00 H new ATOM 0 HA THR A 114 -4.347 -12.355 -4.201 1.00 0.00 H new ATOM 0 HB THR A 114 -2.777 -13.617 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.566 -13.770 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.169 -11.751 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.832 -11.169 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.684 -11.193 -4.312 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.097 -14.747 -4.864 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.792 -16.025 -4.960 1.00 0.00 C ATOM 1728 C TYR A 115 -4.808 -17.161 -5.225 1.00 0.00 C ATOM 1729 O TYR A 115 -3.735 -16.948 -5.789 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.843 -15.977 -6.070 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.934 -14.958 -5.826 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -7.806 -13.652 -6.283 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -9.091 -15.301 -5.139 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -8.799 -12.718 -6.063 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -10.090 -14.374 -4.915 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.939 -13.083 -5.379 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.932 -12.156 -5.156 1.00 0.00 O ATOM 0 H TYR A 115 -5.295 -14.101 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.288 -16.212 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.351 -15.751 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.295 -16.963 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.915 -13.362 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.212 -16.310 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.683 -11.707 -6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -10.984 -14.658 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 115 -11.666 -12.576 -4.661 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.183 -18.368 -4.815 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.334 -19.538 -5.008 1.00 0.00 C ATOM 1749 C GLU A 116 -4.338 -19.978 -6.469 1.00 0.00 C ATOM 1750 O GLU A 116 -5.353 -20.444 -6.986 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.804 -20.690 -4.116 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.682 -21.612 -3.672 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.194 -22.888 -3.032 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.299 -23.336 -3.402 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.489 -23.438 -2.161 1.00 0.00 O ATOM 0 H GLU A 116 -6.069 -18.562 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.316 -19.265 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.295 -20.279 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.551 -21.274 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.063 -21.865 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.043 -21.085 -2.963 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.195 -19.825 -7.130 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.065 -20.207 -8.530 1.00 0.00 C ATOM 1764 C ALA A 117 -3.719 -21.560 -8.793 1.00 0.00 C ATOM 1765 O ALA A 117 -4.636 -21.668 -9.608 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.599 -20.240 -8.935 1.00 0.00 C ATOM 0 H ALA A 117 -2.346 -19.439 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.580 -19.460 -9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.518 -20.527 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.160 -19.252 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.067 -20.965 -8.318 1.00 0.00 H new