USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=33 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 19 MET CE :methyl -169:sc= -2.42 (180deg=-2.63) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -136:sc= -0.0326 (180deg=-0.75) USER MOD Set 2.1: A 96 MET CE :methyl 139:sc= -2.71 (180deg=-4.19!) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 89 THR OG1 : rot 64:sc= 0.362 USER MOD Set 4.1: A 31 THR OG1 : rot -94:sc= 0.922 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -2.12! C(o=-1.2!,f=-6!) USER MOD Single : A 26 GLN : amide:sc=-0.00391 K(o=-0.0039,f=-1.8) USER MOD Single : A 38 SER OG : rot 22:sc= 0.316 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 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= 0.0018 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 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 -16:sc= 0.0675 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 88 ASN :FLIP amide:sc= -0.998 F(o=-3.1!,f=-1) USER MOD Single : A 90 MET CE :methyl -140:sc= -0.497 (180deg=-1.92!) USER MOD Single : A 91 TYR OH : rot 70:sc= 0.522! USER MOD Single : A 94 SER OG : rot 46:sc= -0.892 USER MOD Single : A 100 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.21) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 150:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 107 SER OG : rot 130:sc= 0.228 USER MOD Single : A 108 MET CE :methyl -131:sc= -0.286 (180deg=-1.42) USER MOD Single : A 109 THR OG1 : rot 150:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-2.3) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 114 THR OG1 : rot -171:sc= 1.01 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.010 18.156 3.497 1.00 0.00 N ATOM 226 CA MET A 19 3.177 17.413 2.559 1.00 0.00 C ATOM 227 C MET A 19 2.287 16.416 3.294 1.00 0.00 C ATOM 228 O MET A 19 2.700 15.813 4.286 1.00 0.00 O ATOM 229 CB MET A 19 4.049 16.679 1.539 1.00 0.00 C ATOM 230 CG MET A 19 4.678 17.599 0.504 1.00 0.00 C ATOM 231 SD MET A 19 3.490 18.177 -0.723 1.00 0.00 S ATOM 232 CE MET A 19 3.182 16.667 -1.635 1.00 0.00 C ATOM 0 HA MET A 19 2.540 18.126 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.839 16.145 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.444 15.930 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.121 18.458 1.008 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.488 17.072 -0.000 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.623 16.897 -2.542 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.132 16.203 -1.902 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.603 15.980 -1.017 1.00 0.00 H new ATOM 242 N LEU A 20 1.064 16.246 2.803 1.00 0.00 N ATOM 243 CA LEU A 20 0.116 15.322 3.414 1.00 0.00 C ATOM 244 C LEU A 20 -0.117 14.109 2.519 1.00 0.00 C ATOM 245 O LEU A 20 -0.629 14.219 1.405 1.00 0.00 O ATOM 246 CB LEU A 20 -1.212 16.030 3.689 1.00 0.00 C ATOM 247 CG LEU A 20 -2.002 15.531 4.899 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.389 14.071 4.720 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.195 15.718 6.176 1.00 0.00 C ATOM 0 H LEU A 20 0.706 16.736 1.983 1.00 0.00 H new ATOM 0 HA LEU A 20 0.539 14.978 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.013 17.093 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.842 15.934 2.805 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.916 16.120 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.951 13.734 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.006 13.965 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.488 13.466 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.772 15.358 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.264 15.155 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.969 16.776 6.312 1.00 0.00 H new ATOM 261 N PRO A 21 0.265 12.924 3.016 1.00 0.00 N ATOM 262 CA PRO A 21 0.106 11.667 2.279 1.00 0.00 C ATOM 263 C PRO A 21 -1.356 11.252 2.150 1.00 0.00 C ATOM 264 O PRO A 21 -2.246 11.822 2.781 1.00 0.00 O ATOM 265 CB PRO A 21 0.876 10.655 3.131 1.00 0.00 C ATOM 266 CG PRO A 21 0.855 11.225 4.507 1.00 0.00 C ATOM 267 CD PRO A 21 0.883 12.719 4.337 1.00 0.00 C ATOM 0 HA PRO A 21 0.471 11.747 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.404 9.673 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.897 10.529 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.039 10.910 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.713 10.882 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.324 13.224 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.901 13.108 4.369 1.00 0.00 H new ATOM 275 N PRO A 22 -1.612 10.235 1.314 1.00 0.00 N ATOM 276 CA PRO A 22 -2.965 9.720 1.085 1.00 0.00 C ATOM 277 C PRO A 22 -3.521 8.989 2.302 1.00 0.00 C ATOM 278 O PRO A 22 -2.848 8.863 3.325 1.00 0.00 O ATOM 279 CB PRO A 22 -2.781 8.749 -0.085 1.00 0.00 C ATOM 280 CG PRO A 22 -1.356 8.323 -0.003 1.00 0.00 C ATOM 281 CD PRO A 22 -0.599 9.508 0.530 1.00 0.00 C ATOM 0 HA PRO A 22 -3.678 10.520 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.455 7.896 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.996 9.232 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.244 7.461 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.980 8.028 -0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.244 9.201 1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.196 10.123 -0.275 1.00 0.00 H new ATOM 289 N VAL A 23 -4.754 8.507 2.184 1.00 0.00 N ATOM 290 CA VAL A 23 -5.401 7.786 3.274 1.00 0.00 C ATOM 291 C VAL A 23 -6.312 6.686 2.742 1.00 0.00 C ATOM 292 O VAL A 23 -6.414 6.481 1.533 1.00 0.00 O ATOM 293 CB VAL A 23 -6.226 8.736 4.163 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.356 9.870 4.684 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.422 9.279 3.396 1.00 0.00 C ATOM 0 H VAL A 23 -5.325 8.603 1.344 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.607 7.338 3.872 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.598 8.173 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.956 10.531 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.536 9.459 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.952 10.434 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.993 9.948 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.074 9.827 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.057 8.452 3.078 1.00 0.00 H new ATOM 305 N GLY A 24 -6.975 5.981 3.654 1.00 0.00 N ATOM 306 CA GLY A 24 -7.870 4.910 3.257 1.00 0.00 C ATOM 307 C GLY A 24 -7.248 3.985 2.229 1.00 0.00 C ATOM 308 O GLY A 24 -7.953 3.371 1.428 1.00 0.00 O ATOM 0 H GLY A 24 -6.908 6.133 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.153 4.332 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.786 5.338 2.849 1.00 0.00 H new ATOM 312 N VAL A 25 -5.923 3.886 2.250 1.00 0.00 N ATOM 313 CA VAL A 25 -5.205 3.030 1.312 1.00 0.00 C ATOM 314 C VAL A 25 -5.700 1.590 1.394 1.00 0.00 C ATOM 315 O VAL A 25 -5.436 0.888 2.370 1.00 0.00 O ATOM 316 CB VAL A 25 -3.688 3.056 1.577 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.957 2.170 0.580 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.162 4.483 1.520 1.00 0.00 C ATOM 0 H VAL A 25 -5.324 4.388 2.906 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.398 3.422 0.313 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.504 2.665 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.886 2.201 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.315 1.145 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.145 2.529 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.089 4.483 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.356 4.903 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.664 5.086 2.276 1.00 0.00 H new ATOM 328 N GLN A 26 -6.416 1.157 0.362 1.00 0.00 N ATOM 329 CA GLN A 26 -6.948 -0.200 0.318 1.00 0.00 C ATOM 330 C GLN A 26 -6.304 -1.000 -0.809 1.00 0.00 C ATOM 331 O GLN A 26 -6.126 -0.497 -1.918 1.00 0.00 O ATOM 332 CB GLN A 26 -8.466 -0.170 0.135 1.00 0.00 C ATOM 333 CG GLN A 26 -9.088 -1.549 -0.012 1.00 0.00 C ATOM 334 CD GLN A 26 -9.254 -2.260 1.317 1.00 0.00 C ATOM 335 OE1 GLN A 26 -8.781 -1.785 2.351 1.00 0.00 O ATOM 336 NE2 GLN A 26 -9.928 -3.403 1.298 1.00 0.00 N ATOM 0 H GLN A 26 -6.641 1.725 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.713 -0.686 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.917 0.334 0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.706 0.424 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.061 -1.455 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.465 -2.156 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.303 -3.760 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.072 -3.925 2.163 1.00 0.00 H new ATOM 345 N ALA A 27 -5.955 -2.249 -0.518 1.00 0.00 N ATOM 346 CA ALA A 27 -5.332 -3.120 -1.507 1.00 0.00 C ATOM 347 C ALA A 27 -6.302 -4.198 -1.978 1.00 0.00 C ATOM 348 O ALA A 27 -6.492 -5.212 -1.308 1.00 0.00 O ATOM 349 CB ALA A 27 -4.073 -3.753 -0.935 1.00 0.00 C ATOM 0 H ALA A 27 -6.093 -2.681 0.396 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.059 -2.512 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.619 -4.401 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.367 -2.971 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.330 -4.342 -0.054 1.00 0.00 H new ATOM 355 N VAL A 28 -6.915 -3.971 -3.136 1.00 0.00 N ATOM 356 CA VAL A 28 -7.866 -4.924 -3.697 1.00 0.00 C ATOM 357 C VAL A 28 -7.152 -6.001 -4.506 1.00 0.00 C ATOM 358 O VAL A 28 -6.251 -5.707 -5.291 1.00 0.00 O ATOM 359 CB VAL A 28 -8.899 -4.221 -4.598 1.00 0.00 C ATOM 360 CG1 VAL A 28 -9.967 -5.204 -5.052 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.524 -3.040 -3.870 1.00 0.00 C ATOM 0 H VAL A 28 -6.770 -3.136 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.383 -5.388 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.387 -3.843 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.688 -4.690 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.501 -6.014 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.478 -5.614 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.251 -2.555 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.023 -3.392 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.746 -2.326 -3.600 1.00 0.00 H new ATOM 371 N ALA A 29 -7.561 -7.250 -4.308 1.00 0.00 N ATOM 372 CA ALA A 29 -6.963 -8.372 -5.021 1.00 0.00 C ATOM 373 C ALA A 29 -7.827 -8.794 -6.205 1.00 0.00 C ATOM 374 O ALA A 29 -8.924 -9.324 -6.027 1.00 0.00 O ATOM 375 CB ALA A 29 -6.749 -9.544 -4.076 1.00 0.00 C ATOM 0 H ALA A 29 -8.304 -7.510 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.996 -8.051 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.302 -10.375 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.084 -9.242 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.707 -9.856 -3.661 1.00 0.00 H new ATOM 381 N LEU A 30 -7.326 -8.555 -7.412 1.00 0.00 N ATOM 382 CA LEU A 30 -8.053 -8.911 -8.626 1.00 0.00 C ATOM 383 C LEU A 30 -7.893 -10.394 -8.941 1.00 0.00 C ATOM 384 O LEU A 30 -8.877 -11.107 -9.143 1.00 0.00 O ATOM 385 CB LEU A 30 -7.558 -8.071 -9.804 1.00 0.00 C ATOM 386 CG LEU A 30 -7.347 -6.582 -9.526 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.273 -6.015 -10.442 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.652 -5.818 -9.694 1.00 0.00 C ATOM 0 H LEU A 30 -6.420 -8.116 -7.576 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.111 -8.706 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.615 -8.492 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.273 -8.170 -10.621 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.013 -6.468 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.137 -4.955 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.334 -6.543 -10.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.577 -6.141 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.483 -4.760 -9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.016 -5.939 -10.714 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.394 -6.206 -8.996 1.00 0.00 H new ATOM 400 N THR A 31 -6.647 -10.855 -8.980 1.00 0.00 N ATOM 401 CA THR A 31 -6.358 -12.254 -9.270 1.00 0.00 C ATOM 402 C THR A 31 -5.089 -12.712 -8.559 1.00 0.00 C ATOM 403 O THR A 31 -4.411 -11.919 -7.905 1.00 0.00 O ATOM 404 CB THR A 31 -6.199 -12.493 -10.783 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.483 -13.862 -11.095 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.791 -12.145 -11.242 1.00 0.00 C ATOM 0 H THR A 31 -5.821 -10.280 -8.814 1.00 0.00 H new ATOM 0 HA THR A 31 -7.206 -12.834 -8.905 1.00 0.00 H new ATOM 0 HB THR A 31 -6.904 -11.847 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.649 -14.377 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.704 -12.322 -12.314 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.588 -11.095 -11.030 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.071 -12.768 -10.711 1.00 0.00 H new ATOM 414 N HIS A 32 -4.773 -13.996 -8.691 1.00 0.00 N ATOM 415 CA HIS A 32 -3.584 -14.560 -8.062 1.00 0.00 C ATOM 416 C HIS A 32 -2.371 -13.662 -8.290 1.00 0.00 C ATOM 417 O HIS A 32 -1.583 -13.422 -7.375 1.00 0.00 O ATOM 418 CB HIS A 32 -3.306 -15.960 -8.610 1.00 0.00 C ATOM 419 CG HIS A 32 -3.227 -16.014 -10.105 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.333 -15.907 -10.921 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.165 -16.162 -10.930 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.955 -15.989 -12.184 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.644 -16.144 -12.217 1.00 0.00 N ATOM 0 H HIS A 32 -5.324 -14.666 -9.228 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.768 -14.628 -6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.368 -16.325 -8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.091 -16.636 -8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.133 -16.274 -10.632 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.607 -15.938 -13.043 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.079 -16.235 -13.061 1.00 0.00 H new ATOM 432 N ASP A 33 -2.228 -13.169 -9.515 1.00 0.00 N ATOM 433 CA ASP A 33 -1.112 -12.297 -9.864 1.00 0.00 C ATOM 434 C ASP A 33 -1.609 -10.910 -10.260 1.00 0.00 C ATOM 435 O ASP A 33 -1.111 -10.311 -11.213 1.00 0.00 O ATOM 436 CB ASP A 33 -0.298 -12.907 -11.006 1.00 0.00 C ATOM 437 CG ASP A 33 -1.118 -13.088 -12.268 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.211 -13.685 -12.185 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.665 -12.634 -13.340 1.00 0.00 O ATOM 0 H ASP A 33 -2.871 -13.358 -10.284 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.473 -12.197 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.558 -12.267 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.097 -13.873 -10.691 1.00 0.00 H new ATOM 444 N ALA A 34 -2.595 -10.407 -9.524 1.00 0.00 N ATOM 445 CA ALA A 34 -3.158 -9.091 -9.798 1.00 0.00 C ATOM 446 C ALA A 34 -3.754 -8.476 -8.537 1.00 0.00 C ATOM 447 O ALA A 34 -4.508 -9.126 -7.813 1.00 0.00 O ATOM 448 CB ALA A 34 -4.213 -9.186 -10.891 1.00 0.00 C ATOM 0 H ALA A 34 -3.020 -10.891 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.352 -8.442 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.625 -8.196 -11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.759 -9.576 -11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.011 -9.855 -10.569 1.00 0.00 H new ATOM 454 N VAL A 35 -3.411 -7.218 -8.279 1.00 0.00 N ATOM 455 CA VAL A 35 -3.912 -6.514 -7.105 1.00 0.00 C ATOM 456 C VAL A 35 -4.173 -5.044 -7.415 1.00 0.00 C ATOM 457 O VAL A 35 -3.248 -4.288 -7.710 1.00 0.00 O ATOM 458 CB VAL A 35 -2.924 -6.611 -5.927 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.189 -5.508 -4.914 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.011 -7.981 -5.271 1.00 0.00 C ATOM 0 H VAL A 35 -2.788 -6.665 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.849 -6.995 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.913 -6.481 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.481 -5.593 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.071 -4.537 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.205 -5.602 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.306 -8.032 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.023 -8.143 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.766 -8.751 -6.003 1.00 0.00 H new ATOM 470 N ARG A 36 -5.439 -4.646 -7.345 1.00 0.00 N ATOM 471 CA ARG A 36 -5.822 -3.266 -7.619 1.00 0.00 C ATOM 472 C ARG A 36 -5.762 -2.423 -6.349 1.00 0.00 C ATOM 473 O ARG A 36 -6.627 -2.527 -5.480 1.00 0.00 O ATOM 474 CB ARG A 36 -7.231 -3.214 -8.212 1.00 0.00 C ATOM 475 CG ARG A 36 -7.813 -1.811 -8.278 1.00 0.00 C ATOM 476 CD ARG A 36 -7.043 -0.935 -9.254 1.00 0.00 C ATOM 477 NE ARG A 36 -7.579 -1.023 -10.609 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.755 -0.521 -10.969 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.513 0.103 -10.078 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.175 -0.641 -12.222 1.00 0.00 N ATOM 0 H ARG A 36 -6.217 -5.259 -7.101 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.116 -2.856 -8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.209 -3.637 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.891 -3.844 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.859 -1.863 -8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.791 -1.359 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.078 0.101 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.995 -1.233 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.020 -1.496 -11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.193 0.198 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.416 0.488 -10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.595 -1.119 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.078 -0.255 -12.496 1.00 0.00 H new ATOM 494 N VAL A 37 -4.733 -1.587 -6.248 1.00 0.00 N ATOM 495 CA VAL A 37 -4.559 -0.725 -5.085 1.00 0.00 C ATOM 496 C VAL A 37 -5.254 0.617 -5.287 1.00 0.00 C ATOM 497 O VAL A 37 -4.784 1.462 -6.049 1.00 0.00 O ATOM 498 CB VAL A 37 -3.068 -0.480 -4.785 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.908 0.377 -3.539 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.331 -1.801 -4.633 1.00 0.00 C ATOM 0 H VAL A 37 -4.007 -1.489 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.011 -1.241 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.630 0.059 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.848 0.539 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.400 1.337 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.361 -0.131 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.279 -1.609 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.768 -2.369 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.416 -2.374 -5.556 1.00 0.00 H new ATOM 510 N SER A 38 -6.374 0.807 -4.598 1.00 0.00 N ATOM 511 CA SER A 38 -7.136 2.046 -4.704 1.00 0.00 C ATOM 512 C SER A 38 -7.177 2.775 -3.364 1.00 0.00 C ATOM 513 O SER A 38 -7.558 2.201 -2.344 1.00 0.00 O ATOM 514 CB SER A 38 -8.560 1.755 -5.183 1.00 0.00 C ATOM 515 OG SER A 38 -9.296 1.054 -4.196 1.00 0.00 O ATOM 0 H SER A 38 -6.774 0.119 -3.960 1.00 0.00 H new ATOM 0 HA SER A 38 -6.640 2.688 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.065 2.691 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.526 1.168 -6.101 1.00 0.00 H new ATOM 0 HG SER A 38 -8.890 1.204 -3.317 1.00 0.00 H new ATOM 521 N TRP A 39 -6.782 4.043 -3.376 1.00 0.00 N ATOM 522 CA TRP A 39 -6.773 4.851 -2.162 1.00 0.00 C ATOM 523 C TRP A 39 -7.564 6.140 -2.361 1.00 0.00 C ATOM 524 O TRP A 39 -7.977 6.460 -3.475 1.00 0.00 O ATOM 525 CB TRP A 39 -5.336 5.179 -1.753 1.00 0.00 C ATOM 526 CG TRP A 39 -4.558 5.877 -2.827 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.323 7.219 -2.928 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.913 5.269 -3.952 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.572 7.481 -4.049 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.307 6.302 -4.693 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.788 3.953 -4.404 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.588 6.057 -5.860 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.075 3.711 -5.562 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.482 4.759 -6.280 1.00 0.00 C ATOM 0 H TRP A 39 -6.464 4.533 -4.212 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.247 4.274 -1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.354 5.806 -0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.823 4.256 -1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.675 7.964 -2.230 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.262 8.404 -4.352 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.241 3.139 -3.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.130 6.863 -6.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.973 2.697 -5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.931 4.538 -7.182 1.00 0.00 H new ATOM 545 N ALA A 40 -7.772 6.875 -1.273 1.00 0.00 N ATOM 546 CA ALA A 40 -8.512 8.129 -1.329 1.00 0.00 C ATOM 547 C ALA A 40 -7.598 9.318 -1.052 1.00 0.00 C ATOM 548 O ALA A 40 -6.605 9.197 -0.334 1.00 0.00 O ATOM 549 CB ALA A 40 -9.666 8.106 -0.338 1.00 0.00 C ATOM 0 H ALA A 40 -7.438 6.623 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.915 8.240 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.210 9.049 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.339 7.285 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.277 7.968 0.671 1.00 0.00 H new ATOM 555 N ASP A 41 -7.940 10.467 -1.626 1.00 0.00 N ATOM 556 CA ASP A 41 -7.150 11.679 -1.440 1.00 0.00 C ATOM 557 C ASP A 41 -7.810 12.607 -0.425 1.00 0.00 C ATOM 558 O ASP A 41 -8.942 13.049 -0.618 1.00 0.00 O ATOM 559 CB ASP A 41 -6.971 12.406 -2.774 1.00 0.00 C ATOM 560 CG ASP A 41 -8.290 12.660 -3.476 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.104 11.718 -3.569 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.508 13.802 -3.934 1.00 0.00 O ATOM 0 H ASP A 41 -8.758 10.584 -2.223 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.171 11.390 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.466 13.356 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.325 11.815 -3.423 1.00 0.00 H new ATOM 753 N ARG A 54 0.785 16.853 -9.646 1.00 0.00 N ATOM 754 CA ARG A 54 1.227 15.949 -8.591 1.00 0.00 C ATOM 755 C ARG A 54 1.435 14.539 -9.136 1.00 0.00 C ATOM 756 O ARG A 54 1.116 14.255 -10.292 1.00 0.00 O ATOM 757 CB ARG A 54 0.205 15.921 -7.453 1.00 0.00 C ATOM 758 CG ARG A 54 -1.194 15.530 -7.899 1.00 0.00 C ATOM 759 CD ARG A 54 -1.279 14.048 -8.228 1.00 0.00 C ATOM 760 NE ARG A 54 -2.653 13.555 -8.181 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.528 13.723 -9.167 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.174 14.367 -10.270 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.761 13.245 -9.050 1.00 0.00 N ATOM 0 HA ARG A 54 2.179 16.316 -8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.543 15.220 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.166 16.905 -6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.909 15.771 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.475 16.115 -8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.865 13.873 -9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.667 13.485 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.958 13.055 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.227 14.735 -10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.848 14.494 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.037 12.748 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.432 13.374 -9.807 1.00 0.00 H new ATOM 777 N LEU A 55 1.972 13.659 -8.298 1.00 0.00 N ATOM 778 CA LEU A 55 2.223 12.278 -8.695 1.00 0.00 C ATOM 779 C LEU A 55 2.169 11.346 -7.488 1.00 0.00 C ATOM 780 O LEU A 55 2.652 11.685 -6.408 1.00 0.00 O ATOM 781 CB LEU A 55 3.586 12.164 -9.381 1.00 0.00 C ATOM 782 CG LEU A 55 4.125 10.746 -9.572 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.490 10.129 -8.230 1.00 0.00 C ATOM 784 CD2 LEU A 55 3.105 9.881 -10.298 1.00 0.00 C ATOM 0 H LEU A 55 2.242 13.877 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 55 1.444 11.980 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.519 12.640 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.312 12.732 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 55 5.027 10.800 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.872 9.120 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.255 10.736 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.605 10.088 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.506 8.875 -10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.186 9.834 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.892 10.313 -11.276 1.00 0.00 H new ATOM 796 N TYR A 56 1.581 10.171 -7.681 1.00 0.00 N ATOM 797 CA TYR A 56 1.464 9.190 -6.609 1.00 0.00 C ATOM 798 C TYR A 56 2.243 7.922 -6.943 1.00 0.00 C ATOM 799 O TYR A 56 2.002 7.282 -7.967 1.00 0.00 O ATOM 800 CB TYR A 56 -0.006 8.848 -6.361 1.00 0.00 C ATOM 801 CG TYR A 56 -0.749 9.902 -5.571 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.845 11.207 -6.036 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.353 9.592 -4.359 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.521 12.174 -5.317 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.033 10.552 -3.634 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.114 11.841 -4.117 1.00 0.00 C ATOM 807 OH TYR A 56 -2.789 12.800 -3.397 1.00 0.00 O ATOM 0 H TYR A 56 1.178 9.875 -8.570 1.00 0.00 H new ATOM 0 HA TYR A 56 1.887 9.626 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.504 8.707 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.064 7.899 -5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.383 11.471 -6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.290 8.584 -3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.585 13.185 -5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.498 10.294 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.148 12.401 -2.577 1.00 0.00 H new ATOM 817 N THR A 57 3.181 7.564 -6.071 1.00 0.00 N ATOM 818 CA THR A 57 3.997 6.374 -6.272 1.00 0.00 C ATOM 819 C THR A 57 3.378 5.161 -5.588 1.00 0.00 C ATOM 820 O THR A 57 2.608 5.297 -4.637 1.00 0.00 O ATOM 821 CB THR A 57 5.427 6.577 -5.737 1.00 0.00 C ATOM 822 OG1 THR A 57 6.020 7.728 -6.348 1.00 0.00 O ATOM 823 CG2 THR A 57 6.287 5.352 -6.011 1.00 0.00 C ATOM 0 H THR A 57 3.394 8.082 -5.219 1.00 0.00 H new ATOM 0 HA THR A 57 4.041 6.198 -7.347 1.00 0.00 H new ATOM 0 HB THR A 57 5.369 6.727 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.928 7.851 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.292 5.519 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.849 4.483 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.337 5.175 -7.085 1.00 0.00 H new ATOM 831 N VAL A 58 3.720 3.973 -6.077 1.00 0.00 N ATOM 832 CA VAL A 58 3.198 2.734 -5.511 1.00 0.00 C ATOM 833 C VAL A 58 4.281 1.663 -5.444 1.00 0.00 C ATOM 834 O VAL A 58 4.928 1.356 -6.445 1.00 0.00 O ATOM 835 CB VAL A 58 2.011 2.198 -6.332 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.369 1.011 -5.631 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.990 3.300 -6.573 1.00 0.00 C ATOM 0 H VAL A 58 4.356 3.842 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 58 2.856 2.965 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 58 2.384 1.860 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.532 0.646 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.105 0.216 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.009 1.319 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.158 2.904 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.621 3.669 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.459 4.117 -7.121 1.00 0.00 H new ATOM 847 N ARG A 59 4.471 1.096 -4.257 1.00 0.00 N ATOM 848 CA ARG A 59 5.476 0.058 -4.059 1.00 0.00 C ATOM 849 C ARG A 59 4.889 -1.129 -3.301 1.00 0.00 C ATOM 850 O ARG A 59 3.877 -0.999 -2.612 1.00 0.00 O ATOM 851 CB ARG A 59 6.677 0.620 -3.297 1.00 0.00 C ATOM 852 CG ARG A 59 6.442 0.754 -1.801 1.00 0.00 C ATOM 853 CD ARG A 59 7.453 1.691 -1.160 1.00 0.00 C ATOM 854 NE ARG A 59 7.121 1.984 0.232 1.00 0.00 N ATOM 855 CZ ARG A 59 7.442 1.190 1.247 1.00 0.00 C ATOM 856 NH1 ARG A 59 8.100 0.060 1.027 1.00 0.00 N ATOM 857 NH2 ARG A 59 7.105 1.526 2.486 1.00 0.00 N ATOM 0 H ARG A 59 3.943 1.338 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 59 5.805 -0.286 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.538 -0.027 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.930 1.598 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.434 1.127 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.506 -0.228 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.445 1.243 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.495 2.621 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 59 6.615 2.846 0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.361 -0.201 0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.345 -0.548 1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.599 2.395 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.352 0.916 3.265 1.00 0.00 H new ATOM 871 N TRP A 60 5.531 -2.284 -3.432 1.00 0.00 N ATOM 872 CA TRP A 60 5.072 -3.494 -2.760 1.00 0.00 C ATOM 873 C TRP A 60 6.171 -4.551 -2.731 1.00 0.00 C ATOM 874 O TRP A 60 6.840 -4.792 -3.736 1.00 0.00 O ATOM 875 CB TRP A 60 3.831 -4.051 -3.458 1.00 0.00 C ATOM 876 CG TRP A 60 4.020 -4.257 -4.931 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.422 -5.404 -5.553 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.816 -3.288 -5.965 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.481 -5.207 -6.911 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.113 -3.917 -7.190 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.410 -1.951 -5.975 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.017 -3.253 -8.409 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.316 -1.293 -7.187 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.617 -1.944 -8.390 1.00 0.00 C ATOM 0 H TRP A 60 6.371 -2.408 -3.997 1.00 0.00 H new ATOM 0 HA TRP A 60 4.816 -3.234 -1.733 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.559 -5.001 -2.997 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.996 -3.369 -3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.659 -6.330 -5.051 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.754 -5.908 -7.600 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.174 -1.441 -5.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.250 -3.753 -9.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.005 -0.259 -7.207 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.532 -1.403 -9.321 1.00 0.00 H new ATOM 895 N ARG A 61 6.353 -5.178 -1.573 1.00 0.00 N ATOM 896 CA ARG A 61 7.372 -6.208 -1.414 1.00 0.00 C ATOM 897 C ARG A 61 6.862 -7.346 -0.535 1.00 0.00 C ATOM 898 O ARG A 61 6.083 -7.128 0.393 1.00 0.00 O ATOM 899 CB ARG A 61 8.642 -5.610 -0.805 1.00 0.00 C ATOM 900 CG ARG A 61 9.850 -6.528 -0.892 1.00 0.00 C ATOM 901 CD ARG A 61 10.469 -6.504 -2.281 1.00 0.00 C ATOM 902 NE ARG A 61 9.509 -6.095 -3.302 1.00 0.00 N ATOM 903 CZ ARG A 61 9.440 -6.645 -4.509 1.00 0.00 C ATOM 904 NH1 ARG A 61 10.272 -7.621 -4.844 1.00 0.00 N ATOM 905 NH2 ARG A 61 8.538 -6.218 -5.383 1.00 0.00 N ATOM 0 H ARG A 61 5.808 -4.990 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 61 7.604 -6.609 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.871 -4.673 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.454 -5.369 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.594 -6.223 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.553 -7.547 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.318 -5.820 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.855 -7.494 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 61 8.855 -5.345 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.967 -7.951 -4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.217 -8.042 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.897 -5.467 -5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.486 -6.641 -6.310 1.00 0.00 H new ATOM 919 N THR A 62 7.307 -8.563 -0.835 1.00 0.00 N ATOM 920 CA THR A 62 6.894 -9.736 -0.074 1.00 0.00 C ATOM 921 C THR A 62 6.926 -9.459 1.424 1.00 0.00 C ATOM 922 O THR A 62 7.832 -8.792 1.923 1.00 0.00 O ATOM 923 CB THR A 62 7.795 -10.948 -0.379 1.00 0.00 C ATOM 924 OG1 THR A 62 9.107 -10.505 -0.742 1.00 0.00 O ATOM 925 CG2 THR A 62 7.209 -11.788 -1.504 1.00 0.00 C ATOM 0 H THR A 62 7.953 -8.762 -1.599 1.00 0.00 H new ATOM 0 HA THR A 62 5.872 -9.965 -0.376 1.00 0.00 H new ATOM 0 HB THR A 62 7.855 -11.563 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.673 -11.282 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.862 -12.638 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.222 -12.149 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.122 -11.180 -2.405 1.00 0.00 H new ATOM 933 N SER A 63 5.930 -9.975 2.138 1.00 0.00 N ATOM 934 CA SER A 63 5.842 -9.780 3.580 1.00 0.00 C ATOM 935 C SER A 63 6.704 -10.798 4.320 1.00 0.00 C ATOM 936 O SER A 63 6.427 -11.998 4.295 1.00 0.00 O ATOM 937 CB SER A 63 4.388 -9.892 4.044 1.00 0.00 C ATOM 938 OG SER A 63 4.226 -9.360 5.347 1.00 0.00 O ATOM 0 H SER A 63 5.173 -10.531 1.741 1.00 0.00 H new ATOM 0 HA SER A 63 6.213 -8.781 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.739 -9.361 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.079 -10.937 4.034 1.00 0.00 H new ATOM 0 HG SER A 63 3.288 -9.442 5.620 1.00 0.00 H new ATOM 1028 N TYR A 70 12.458 -4.087 -3.771 1.00 0.00 N ATOM 1029 CA TYR A 70 11.187 -3.375 -3.723 1.00 0.00 C ATOM 1030 C TYR A 70 10.846 -2.773 -5.083 1.00 0.00 C ATOM 1031 O TYR A 70 11.711 -2.223 -5.766 1.00 0.00 O ATOM 1032 CB TYR A 70 11.236 -2.272 -2.663 1.00 0.00 C ATOM 1033 CG TYR A 70 10.624 -2.676 -1.341 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.386 -3.298 -0.361 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.282 -2.433 -1.072 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.831 -3.669 0.849 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.719 -2.799 0.136 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.497 -3.417 1.092 1.00 0.00 C ATOM 1039 OH TYR A 70 8.940 -3.784 2.296 1.00 0.00 O ATOM 0 HA TYR A 70 10.409 -4.091 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.274 -1.982 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.715 -1.392 -3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.431 -3.495 -0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.669 -1.950 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.438 -4.153 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.675 -2.602 0.330 1.00 0.00 H new ATOM 0 HH TYR A 70 7.992 -3.535 2.308 1.00 0.00 H new ATOM 1049 N LYS A 71 9.580 -2.882 -5.470 1.00 0.00 N ATOM 1050 CA LYS A 71 9.122 -2.348 -6.748 1.00 0.00 C ATOM 1051 C LYS A 71 8.462 -0.986 -6.563 1.00 0.00 C ATOM 1052 O LYS A 71 7.907 -0.693 -5.504 1.00 0.00 O ATOM 1053 CB LYS A 71 8.137 -3.318 -7.405 1.00 0.00 C ATOM 1054 CG LYS A 71 8.211 -3.324 -8.922 1.00 0.00 C ATOM 1055 CD LYS A 71 6.861 -3.641 -9.545 1.00 0.00 C ATOM 1056 CE LYS A 71 6.952 -3.721 -11.061 1.00 0.00 C ATOM 1057 NZ LYS A 71 7.484 -5.035 -11.516 1.00 0.00 N ATOM 0 H LYS A 71 8.852 -3.335 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 71 9.991 -2.227 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.331 -4.325 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.124 -3.056 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.556 -2.352 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.945 -4.060 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.491 -4.587 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.140 -2.874 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.964 -3.560 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.595 -2.922 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.531 -5.050 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.437 -5.178 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.857 -5.796 -11.187 1.00 0.00 H new ATOM 1071 N SER A 72 8.527 -0.156 -7.600 1.00 0.00 N ATOM 1072 CA SER A 72 7.938 1.177 -7.550 1.00 0.00 C ATOM 1073 C SER A 72 7.494 1.627 -8.939 1.00 0.00 C ATOM 1074 O SER A 72 8.229 1.478 -9.915 1.00 0.00 O ATOM 1075 CB SER A 72 8.939 2.179 -6.972 1.00 0.00 C ATOM 1076 OG SER A 72 10.115 2.236 -7.760 1.00 0.00 O ATOM 0 H SER A 72 8.982 -0.383 -8.484 1.00 0.00 H new ATOM 0 HA SER A 72 7.062 1.136 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.482 3.167 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.195 1.895 -5.951 1.00 0.00 H new ATOM 0 HG SER A 72 10.738 2.885 -7.371 1.00 0.00 H new ATOM 1082 N GLU A 73 6.287 2.178 -9.019 1.00 0.00 N ATOM 1083 CA GLU A 73 5.746 2.649 -10.288 1.00 0.00 C ATOM 1084 C GLU A 73 5.118 4.031 -10.132 1.00 0.00 C ATOM 1085 O GLU A 73 4.555 4.355 -9.086 1.00 0.00 O ATOM 1086 CB GLU A 73 4.705 1.662 -10.822 1.00 0.00 C ATOM 1087 CG GLU A 73 5.297 0.567 -11.694 1.00 0.00 C ATOM 1088 CD GLU A 73 6.443 1.062 -12.554 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.231 2.014 -13.334 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.552 0.497 -12.447 1.00 0.00 O ATOM 0 H GLU A 73 5.666 2.309 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 73 6.568 2.720 -11.000 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.185 1.204 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.959 2.210 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.649 -0.247 -11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.517 0.157 -12.336 1.00 0.00 H new ATOM 1097 N ASP A 74 5.220 4.842 -11.179 1.00 0.00 N ATOM 1098 CA ASP A 74 4.662 6.189 -11.160 1.00 0.00 C ATOM 1099 C ASP A 74 3.296 6.222 -11.839 1.00 0.00 C ATOM 1100 O ASP A 74 3.169 5.900 -13.020 1.00 0.00 O ATOM 1101 CB ASP A 74 5.613 7.167 -11.853 1.00 0.00 C ATOM 1102 CG ASP A 74 5.464 7.148 -13.362 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.893 6.156 -13.988 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.919 8.125 -13.916 1.00 0.00 O ATOM 0 H ASP A 74 5.684 4.590 -12.052 1.00 0.00 H new ATOM 0 HA ASP A 74 4.538 6.489 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.424 8.175 -11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.641 6.918 -11.589 1.00 0.00 H new ATOM 1109 N THR A 75 2.275 6.612 -11.082 1.00 0.00 N ATOM 1110 CA THR A 75 0.918 6.684 -11.609 1.00 0.00 C ATOM 1111 C THR A 75 0.245 7.995 -11.217 1.00 0.00 C ATOM 1112 O THR A 75 0.182 8.344 -10.038 1.00 0.00 O ATOM 1113 CB THR A 75 0.057 5.509 -11.108 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.304 5.690 -11.515 1.00 0.00 O ATOM 1115 CG2 THR A 75 0.128 5.394 -9.593 1.00 0.00 C ATOM 0 H THR A 75 2.362 6.883 -10.102 1.00 0.00 H new ATOM 0 HA THR A 75 0.998 6.629 -12.695 1.00 0.00 H new ATOM 0 HB THR A 75 0.447 4.590 -11.545 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.844 4.938 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.488 4.558 -9.262 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.161 5.227 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.239 6.315 -9.141 1.00 0.00 H new ATOM 1123 N THR A 76 -0.258 8.718 -12.213 1.00 0.00 N ATOM 1124 CA THR A 76 -0.925 9.991 -11.972 1.00 0.00 C ATOM 1125 C THR A 76 -2.384 9.781 -11.583 1.00 0.00 C ATOM 1126 O THR A 76 -3.222 10.662 -11.779 1.00 0.00 O ATOM 1127 CB THR A 76 -0.863 10.901 -13.213 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.346 10.197 -14.362 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.560 11.377 -13.464 1.00 0.00 C ATOM 0 H THR A 76 -0.216 8.443 -13.194 1.00 0.00 H new ATOM 0 HA THR A 76 -0.398 10.474 -11.149 1.00 0.00 H new ATOM 0 HB THR A 76 -1.493 11.771 -13.030 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.305 10.783 -15.146 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.579 12.018 -14.345 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.914 11.938 -12.599 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.208 10.516 -13.628 1.00 0.00 H new ATOM 1137 N SER A 77 -2.682 8.610 -11.030 1.00 0.00 N ATOM 1138 CA SER A 77 -4.041 8.283 -10.615 1.00 0.00 C ATOM 1139 C SER A 77 -4.057 7.727 -9.194 1.00 0.00 C ATOM 1140 O SER A 77 -3.010 7.414 -8.626 1.00 0.00 O ATOM 1141 CB SER A 77 -4.661 7.270 -11.579 1.00 0.00 C ATOM 1142 OG SER A 77 -5.153 7.909 -12.744 1.00 0.00 O ATOM 0 H SER A 77 -2.000 7.871 -10.859 1.00 0.00 H new ATOM 0 HA SER A 77 -4.631 9.200 -10.634 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.916 6.524 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.473 6.739 -11.081 1.00 0.00 H new ATOM 0 HG SER A 77 -5.543 7.240 -13.344 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.252 7.606 -8.627 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.407 7.088 -7.272 1.00 0.00 C ATOM 1150 C LEU A 78 -5.692 5.590 -7.292 1.00 0.00 C ATOM 1151 O LEU A 78 -6.336 5.058 -6.387 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.536 7.824 -6.549 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.425 9.349 -6.509 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -7.799 9.979 -6.335 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.489 9.787 -5.393 1.00 0.00 C ATOM 0 H LEU A 78 -6.128 7.859 -9.084 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.472 7.255 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.479 7.561 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.585 7.456 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.009 9.689 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.701 11.064 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.439 9.693 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.243 9.632 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.422 10.875 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.874 9.435 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.498 9.365 -5.562 1.00 0.00 H new ATOM 1167 N SER A 79 -5.208 4.914 -8.329 1.00 0.00 N ATOM 1168 CA SER A 79 -5.412 3.476 -8.467 1.00 0.00 C ATOM 1169 C SER A 79 -4.352 2.862 -9.377 1.00 0.00 C ATOM 1170 O SER A 79 -4.054 3.392 -10.447 1.00 0.00 O ATOM 1171 CB SER A 79 -6.807 3.190 -9.025 1.00 0.00 C ATOM 1172 OG SER A 79 -6.987 3.804 -10.290 1.00 0.00 O ATOM 0 H SER A 79 -4.672 5.338 -9.086 1.00 0.00 H new ATOM 0 HA SER A 79 -5.323 3.024 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.952 2.114 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.562 3.556 -8.329 1.00 0.00 H new ATOM 0 HG SER A 79 -7.886 3.604 -10.626 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.786 1.742 -8.942 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.758 1.055 -9.714 1.00 0.00 C ATOM 1180 C TYR A 80 -2.966 -0.455 -9.678 1.00 0.00 C ATOM 1181 O TYR A 80 -3.318 -1.022 -8.643 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.369 1.403 -9.175 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.258 0.582 -9.791 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.071 -0.669 -9.284 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.462 1.058 -10.880 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.086 -1.422 -9.842 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.477 0.311 -11.446 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.786 -0.928 -10.923 1.00 0.00 C ATOM 1189 OH TYR A 80 2.796 -1.675 -11.484 1.00 0.00 O ATOM 0 H TYR A 80 -4.022 1.290 -8.058 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.834 1.388 -10.749 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.172 2.460 -9.356 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.361 1.258 -8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.476 -1.060 -8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.224 2.028 -11.291 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.330 -2.392 -9.434 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.026 0.695 -12.293 1.00 0.00 H new ATOM 0 HH TYR A 80 3.059 -2.387 -10.864 1.00 0.00 H new ATOM 1199 N THR A 81 -2.746 -1.104 -10.818 1.00 0.00 N ATOM 1200 CA THR A 81 -2.909 -2.549 -10.918 1.00 0.00 C ATOM 1201 C THR A 81 -1.565 -3.262 -10.829 1.00 0.00 C ATOM 1202 O THR A 81 -0.723 -3.134 -11.717 1.00 0.00 O ATOM 1203 CB THR A 81 -3.601 -2.945 -12.237 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.709 -2.074 -12.489 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.084 -4.386 -12.182 1.00 0.00 C ATOM 0 H THR A 81 -2.455 -0.651 -11.684 1.00 0.00 H new ATOM 0 HA THR A 81 -3.535 -2.855 -10.080 1.00 0.00 H new ATOM 0 HB THR A 81 -2.876 -2.852 -13.045 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.142 -2.331 -13.330 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.569 -4.643 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.234 -5.049 -12.019 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.796 -4.500 -11.364 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.370 -4.014 -9.751 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.129 -4.751 -9.547 1.00 0.00 C ATOM 1215 C ALA A 82 -0.191 -6.124 -10.206 1.00 0.00 C ATOM 1216 O ALA A 82 -0.733 -7.073 -9.639 1.00 0.00 O ATOM 1217 CB ALA A 82 0.165 -4.889 -8.061 1.00 0.00 C ATOM 0 H ALA A 82 -2.056 -4.129 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 82 0.679 -4.189 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.095 -5.441 -7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.262 -3.899 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.651 -5.426 -7.577 1.00 0.00 H new ATOM 1223 N THR A 83 0.368 -6.224 -11.409 1.00 0.00 N ATOM 1224 CA THR A 83 0.375 -7.481 -12.146 1.00 0.00 C ATOM 1225 C THR A 83 1.744 -8.149 -12.083 1.00 0.00 C ATOM 1226 O THR A 83 2.770 -7.475 -11.999 1.00 0.00 O ATOM 1227 CB THR A 83 -0.013 -7.269 -13.622 1.00 0.00 C ATOM 1228 OG1 THR A 83 0.964 -6.448 -14.271 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.384 -6.620 -13.733 1.00 0.00 C ATOM 0 H THR A 83 0.822 -5.449 -11.893 1.00 0.00 H new ATOM 0 HA THR A 83 -0.363 -8.128 -11.673 1.00 0.00 H new ATOM 0 HB THR A 83 -0.050 -8.243 -14.110 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.712 -6.319 -15.209 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.636 -6.480 -14.784 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.129 -7.262 -13.263 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.370 -5.652 -13.231 1.00 0.00 H new ATOM 1237 N GLY A 84 1.752 -9.478 -12.123 1.00 0.00 N ATOM 1238 CA GLY A 84 3.001 -10.214 -12.070 1.00 0.00 C ATOM 1239 C GLY A 84 3.471 -10.457 -10.649 1.00 0.00 C ATOM 1240 O GLY A 84 4.641 -10.241 -10.329 1.00 0.00 O ATOM 0 H GLY A 84 0.916 -10.058 -12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.877 -11.171 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.768 -9.662 -12.614 1.00 0.00 H new ATOM 1244 N LEU A 85 2.559 -10.905 -9.795 1.00 0.00 N ATOM 1245 CA LEU A 85 2.885 -11.176 -8.399 1.00 0.00 C ATOM 1246 C LEU A 85 2.898 -12.676 -8.124 1.00 0.00 C ATOM 1247 O LEU A 85 2.729 -13.487 -9.035 1.00 0.00 O ATOM 1248 CB LEU A 85 1.879 -10.486 -7.476 1.00 0.00 C ATOM 1249 CG LEU A 85 1.439 -9.082 -7.893 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.128 -8.711 -7.218 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.520 -8.064 -7.559 1.00 0.00 C ATOM 0 H LEU A 85 1.587 -11.089 -10.044 1.00 0.00 H new ATOM 0 HA LEU A 85 3.881 -10.780 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.993 -11.116 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.313 -10.428 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 85 1.283 -9.076 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.169 -7.709 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.644 -9.424 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.257 -8.734 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.190 -7.070 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.708 -8.072 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.437 -8.320 -8.090 1.00 0.00 H new ATOM 1263 N LYS A 86 3.099 -13.039 -6.862 1.00 0.00 N ATOM 1264 CA LYS A 86 3.131 -14.442 -6.465 1.00 0.00 C ATOM 1265 C LYS A 86 1.780 -14.880 -5.907 1.00 0.00 C ATOM 1266 O LYS A 86 1.175 -14.202 -5.077 1.00 0.00 O ATOM 1267 CB LYS A 86 4.225 -14.672 -5.420 1.00 0.00 C ATOM 1268 CG LYS A 86 4.711 -16.110 -5.355 1.00 0.00 C ATOM 1269 CD LYS A 86 6.090 -16.205 -4.726 1.00 0.00 C ATOM 1270 CE LYS A 86 6.004 -16.383 -3.218 1.00 0.00 C ATOM 1271 NZ LYS A 86 5.784 -17.806 -2.839 1.00 0.00 N ATOM 0 H LYS A 86 3.242 -12.381 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 86 3.350 -15.040 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.071 -14.021 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.847 -14.380 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.005 -16.708 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.739 -16.531 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.633 -17.044 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.658 -15.304 -4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.923 -16.022 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.190 -15.773 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.731 -17.885 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.894 -18.143 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.573 -18.385 -3.191 1.00 0.00 H new ATOM 1285 N PRO A 87 1.297 -16.042 -6.371 1.00 0.00 N ATOM 1286 CA PRO A 87 0.014 -16.598 -5.930 1.00 0.00 C ATOM 1287 C PRO A 87 0.057 -17.081 -4.485 1.00 0.00 C ATOM 1288 O PRO A 87 1.089 -17.552 -4.009 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.208 -17.777 -6.881 1.00 0.00 C ATOM 1290 CG PRO A 87 1.160 -18.173 -7.319 1.00 0.00 C ATOM 1291 CD PRO A 87 1.965 -16.903 -7.361 1.00 0.00 C ATOM 0 HA PRO A 87 -0.783 -15.854 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.717 -18.600 -6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.828 -17.489 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.599 -18.891 -6.626 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.133 -18.651 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.008 -17.080 -7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.956 -16.454 -8.354 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.071 -16.961 -3.791 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.161 -17.385 -2.399 1.00 0.00 C ATOM 1301 C ASN A 88 -0.094 -16.700 -1.551 1.00 0.00 C ATOM 1302 O ASN A 88 0.416 -17.275 -0.589 1.00 0.00 O ATOM 1303 CB ASN A 88 -1.011 -18.905 -2.297 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.754 -19.480 -1.107 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -3.060 -19.667 -1.259 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 -1.160 -19.753 -0.063 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.935 -16.574 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.141 -17.096 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.383 -19.366 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.046 -19.159 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.155 -19.593 0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.673 -20.139 0.729 1.00 0.00 H new ATOM 1313 N THR A 89 0.240 -15.465 -1.914 1.00 0.00 N ATOM 1314 CA THR A 89 1.246 -14.700 -1.188 1.00 0.00 C ATOM 1315 C THR A 89 0.827 -13.242 -1.041 1.00 0.00 C ATOM 1316 O THR A 89 0.511 -12.575 -2.025 1.00 0.00 O ATOM 1317 CB THR A 89 2.615 -14.761 -1.893 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.866 -16.091 -2.361 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.728 -14.329 -0.951 1.00 0.00 C ATOM 0 H THR A 89 -0.172 -14.973 -2.707 1.00 0.00 H new ATOM 0 HA THR A 89 1.334 -15.151 -0.200 1.00 0.00 H new ATOM 0 HB THR A 89 2.594 -14.077 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.197 -16.332 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.685 -14.380 -1.471 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.549 -13.306 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.749 -14.991 -0.085 1.00 0.00 H new ATOM 1327 N MET A 90 0.828 -12.754 0.195 1.00 0.00 N ATOM 1328 CA MET A 90 0.450 -11.373 0.471 1.00 0.00 C ATOM 1329 C MET A 90 1.685 -10.500 0.669 1.00 0.00 C ATOM 1330 O MET A 90 2.741 -10.985 1.075 1.00 0.00 O ATOM 1331 CB MET A 90 -0.442 -11.304 1.712 1.00 0.00 C ATOM 1332 CG MET A 90 -0.916 -9.898 2.043 1.00 0.00 C ATOM 1333 SD MET A 90 0.200 -9.035 3.167 1.00 0.00 S ATOM 1334 CE MET A 90 0.252 -10.184 4.540 1.00 0.00 C ATOM 0 H MET A 90 1.086 -13.294 1.021 1.00 0.00 H new ATOM 0 HA MET A 90 -0.105 -10.996 -0.388 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.310 -11.945 1.561 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.105 -11.704 2.565 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.012 -9.325 1.121 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.908 -9.949 2.491 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.238 -9.630 5.479 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.615 -10.844 4.495 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.164 -10.778 4.483 1.00 0.00 H new ATOM 1344 N TYR A 91 1.545 -9.211 0.380 1.00 0.00 N ATOM 1345 CA TYR A 91 2.651 -8.271 0.524 1.00 0.00 C ATOM 1346 C TYR A 91 2.173 -6.958 1.136 1.00 0.00 C ATOM 1347 O TYR A 91 0.986 -6.783 1.407 1.00 0.00 O ATOM 1348 CB TYR A 91 3.303 -8.006 -0.834 1.00 0.00 C ATOM 1349 CG TYR A 91 3.037 -9.090 -1.855 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.479 -10.391 -1.647 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.345 -8.813 -3.027 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.240 -11.384 -2.577 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.100 -9.800 -3.962 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.549 -11.084 -3.732 1.00 0.00 C ATOM 1355 OH TYR A 91 2.308 -12.070 -4.662 1.00 0.00 O ATOM 0 H TYR A 91 0.677 -8.793 0.045 1.00 0.00 H new ATOM 0 HA TYR A 91 3.388 -8.716 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.939 -7.055 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.380 -7.904 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.019 -10.630 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.992 -7.809 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.592 -12.390 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.560 -9.568 -4.868 1.00 0.00 H new ATOM 0 HH TYR A 91 1.658 -12.708 -4.301 1.00 0.00 H new ATOM 1365 N GLU A 92 3.109 -6.038 1.351 1.00 0.00 N ATOM 1366 CA GLU A 92 2.784 -4.740 1.931 1.00 0.00 C ATOM 1367 C GLU A 92 2.713 -3.664 0.851 1.00 0.00 C ATOM 1368 O GLU A 92 3.659 -3.472 0.087 1.00 0.00 O ATOM 1369 CB GLU A 92 3.824 -4.353 2.985 1.00 0.00 C ATOM 1370 CG GLU A 92 4.050 -2.855 3.095 1.00 0.00 C ATOM 1371 CD GLU A 92 4.870 -2.477 4.314 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.404 -2.733 5.444 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.976 -1.925 4.137 1.00 0.00 O ATOM 0 H GLU A 92 4.097 -6.167 1.133 1.00 0.00 H new ATOM 0 HA GLU A 92 1.806 -4.818 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.506 -4.736 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.770 -4.838 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.556 -2.501 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.086 -2.348 3.139 1.00 0.00 H new ATOM 1380 N PHE A 93 1.585 -2.964 0.795 1.00 0.00 N ATOM 1381 CA PHE A 93 1.389 -1.908 -0.191 1.00 0.00 C ATOM 1382 C PHE A 93 1.358 -0.537 0.479 1.00 0.00 C ATOM 1383 O PHE A 93 0.959 -0.409 1.637 1.00 0.00 O ATOM 1384 CB PHE A 93 0.090 -2.139 -0.965 1.00 0.00 C ATOM 1385 CG PHE A 93 0.108 -3.380 -1.810 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.055 -4.634 -1.224 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.179 -3.293 -3.191 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.073 -5.778 -1.999 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.197 -4.434 -3.972 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.143 -5.678 -3.375 1.00 0.00 C ATOM 0 H PHE A 93 0.793 -3.109 1.421 1.00 0.00 H new ATOM 0 HA PHE A 93 2.228 -1.934 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.738 -2.202 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.101 -1.277 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.001 -4.719 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.221 -2.323 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.032 -6.750 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.253 -4.352 -5.047 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.155 -6.571 -3.983 1.00 0.00 H new ATOM 1400 N SER A 94 1.782 0.485 -0.258 1.00 0.00 N ATOM 1401 CA SER A 94 1.807 1.846 0.265 1.00 0.00 C ATOM 1402 C SER A 94 1.700 2.865 -0.865 1.00 0.00 C ATOM 1403 O SER A 94 1.998 2.561 -2.021 1.00 0.00 O ATOM 1404 CB SER A 94 3.091 2.085 1.063 1.00 0.00 C ATOM 1405 OG SER A 94 2.884 3.042 2.087 1.00 0.00 O ATOM 0 H SER A 94 2.113 0.396 -1.219 1.00 0.00 H new ATOM 0 HA SER A 94 0.949 1.971 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.431 1.147 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.880 2.428 0.394 1.00 0.00 H new ATOM 0 HG SER A 94 2.055 2.835 2.566 1.00 0.00 H new ATOM 1411 N VAL A 95 1.273 4.076 -0.524 1.00 0.00 N ATOM 1412 CA VAL A 95 1.128 5.141 -1.508 1.00 0.00 C ATOM 1413 C VAL A 95 1.600 6.478 -0.946 1.00 0.00 C ATOM 1414 O VAL A 95 1.459 6.745 0.246 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.334 5.280 -1.974 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.460 6.374 -3.022 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -0.850 3.954 -2.511 1.00 0.00 C ATOM 0 H VAL A 95 1.021 4.344 0.427 1.00 0.00 H new ATOM 0 HA VAL A 95 1.749 4.869 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.945 5.561 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.500 6.457 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.133 7.323 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.162 6.127 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.884 4.071 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.237 3.641 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.799 3.199 -1.726 1.00 0.00 H new ATOM 1427 N MET A 96 2.160 7.314 -1.814 1.00 0.00 N ATOM 1428 CA MET A 96 2.651 8.624 -1.404 1.00 0.00 C ATOM 1429 C MET A 96 2.409 9.662 -2.496 1.00 0.00 C ATOM 1430 O MET A 96 1.785 9.370 -3.517 1.00 0.00 O ATOM 1431 CB MET A 96 4.143 8.553 -1.074 1.00 0.00 C ATOM 1432 CG MET A 96 4.991 7.998 -2.208 1.00 0.00 C ATOM 1433 SD MET A 96 6.758 8.092 -1.864 1.00 0.00 S ATOM 1434 CE MET A 96 7.025 9.861 -1.941 1.00 0.00 C ATOM 0 H MET A 96 2.285 7.108 -2.805 1.00 0.00 H new ATOM 0 HA MET A 96 2.103 8.926 -0.512 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.499 9.552 -0.821 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.282 7.931 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.715 6.959 -2.388 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.773 8.549 -3.123 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.700 10.162 -1.140 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.465 10.121 -2.904 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.072 10.378 -1.826 1.00 0.00 H new ATOM 1444 N VAL A 97 2.907 10.874 -2.275 1.00 0.00 N ATOM 1445 CA VAL A 97 2.745 11.955 -3.241 1.00 0.00 C ATOM 1446 C VAL A 97 4.008 12.804 -3.332 1.00 0.00 C ATOM 1447 O VAL A 97 4.659 13.079 -2.323 1.00 0.00 O ATOM 1448 CB VAL A 97 1.555 12.861 -2.875 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.711 13.403 -1.462 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.423 13.996 -3.879 1.00 0.00 C ATOM 0 H VAL A 97 3.426 11.133 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 97 2.553 11.490 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 97 0.642 12.266 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.861 14.041 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.753 12.573 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.631 13.984 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.577 14.627 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.336 14.592 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.261 13.584 -4.875 1.00 0.00 H new ATOM 1460 N THR A 98 4.350 13.218 -4.548 1.00 0.00 N ATOM 1461 CA THR A 98 5.536 14.036 -4.771 1.00 0.00 C ATOM 1462 C THR A 98 5.176 15.351 -5.453 1.00 0.00 C ATOM 1463 O THR A 98 5.075 15.421 -6.678 1.00 0.00 O ATOM 1464 CB THR A 98 6.577 13.294 -5.631 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.009 12.105 -4.959 1.00 0.00 O ATOM 1466 CG2 THR A 98 7.776 14.185 -5.918 1.00 0.00 C ATOM 0 H THR A 98 3.823 13.000 -5.393 1.00 0.00 H new ATOM 0 HA THR A 98 5.966 14.243 -3.791 1.00 0.00 H new ATOM 0 HB THR A 98 6.109 13.026 -6.578 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.669 11.638 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.497 13.640 -6.526 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.448 15.075 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.243 14.480 -4.978 1.00 0.00 H new ATOM 1474 N LYS A 99 4.983 16.394 -4.652 1.00 0.00 N ATOM 1475 CA LYS A 99 4.636 17.709 -5.177 1.00 0.00 C ATOM 1476 C LYS A 99 5.624 18.766 -4.694 1.00 0.00 C ATOM 1477 O LYS A 99 6.218 18.631 -3.625 1.00 0.00 O ATOM 1478 CB LYS A 99 3.216 18.091 -4.754 1.00 0.00 C ATOM 1479 CG LYS A 99 2.543 19.072 -5.699 1.00 0.00 C ATOM 1480 CD LYS A 99 1.040 19.112 -5.484 1.00 0.00 C ATOM 1481 CE LYS A 99 0.684 19.771 -4.160 1.00 0.00 C ATOM 1482 NZ LYS A 99 0.604 18.780 -3.051 1.00 0.00 N ATOM 0 H LYS A 99 5.061 16.353 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 99 4.684 17.663 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.610 17.188 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.248 18.526 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.960 20.068 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.757 18.790 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.569 19.658 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.641 18.098 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.431 20.527 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.272 20.286 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.239 18.973 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.540 17.820 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.455 18.854 -2.457 1.00 0.00 H new ATOM 1496 N ASN A 100 5.793 19.818 -5.488 1.00 0.00 N ATOM 1497 CA ASN A 100 6.708 20.899 -5.139 1.00 0.00 C ATOM 1498 C ASN A 100 8.160 20.446 -5.269 1.00 0.00 C ATOM 1499 O ASN A 100 9.016 20.837 -4.476 1.00 0.00 O ATOM 1500 CB ASN A 100 6.440 21.383 -3.713 1.00 0.00 C ATOM 1501 CG ASN A 100 6.959 22.787 -3.472 1.00 0.00 C ATOM 1502 OD1 ASN A 100 8.047 22.973 -2.926 1.00 0.00 O ATOM 1503 ND2 ASN A 100 6.182 23.784 -3.878 1.00 0.00 N ATOM 0 H ASN A 100 5.309 19.945 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 100 6.538 21.722 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.368 21.357 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.909 20.699 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.479 24.750 -3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.288 23.584 -4.326 1.00 0.00 H new ATOM 1510 N ARG A 101 8.428 19.620 -6.275 1.00 0.00 N ATOM 1511 CA ARG A 101 9.775 19.114 -6.509 1.00 0.00 C ATOM 1512 C ARG A 101 10.312 18.405 -5.269 1.00 0.00 C ATOM 1513 O ARG A 101 11.516 18.413 -5.010 1.00 0.00 O ATOM 1514 CB ARG A 101 10.712 20.257 -6.902 1.00 0.00 C ATOM 1515 CG ARG A 101 10.539 20.720 -8.340 1.00 0.00 C ATOM 1516 CD ARG A 101 11.368 19.881 -9.299 1.00 0.00 C ATOM 1517 NE ARG A 101 11.657 20.593 -10.540 1.00 0.00 N ATOM 1518 CZ ARG A 101 12.498 20.145 -11.466 1.00 0.00 C ATOM 1519 NH1 ARG A 101 13.128 18.992 -11.292 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.708 20.851 -12.570 1.00 0.00 N ATOM 0 H ARG A 101 7.731 19.287 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 101 9.729 18.395 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.541 21.101 -6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.743 19.937 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.487 20.660 -8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.832 21.767 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.304 19.598 -8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.835 18.958 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 101 11.188 21.483 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.968 18.446 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.773 18.651 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.224 21.738 -12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.354 20.507 -13.280 1.00 0.00 H new ATOM 1534 N ARG A 102 9.412 17.793 -4.507 1.00 0.00 N ATOM 1535 CA ARG A 102 9.795 17.082 -3.294 1.00 0.00 C ATOM 1536 C ARG A 102 8.875 15.888 -3.050 1.00 0.00 C ATOM 1537 O ARG A 102 7.729 15.873 -3.498 1.00 0.00 O ATOM 1538 CB ARG A 102 9.754 18.024 -2.090 1.00 0.00 C ATOM 1539 CG ARG A 102 8.349 18.298 -1.577 1.00 0.00 C ATOM 1540 CD ARG A 102 8.369 18.818 -0.149 1.00 0.00 C ATOM 1541 NE ARG A 102 8.956 17.854 0.777 1.00 0.00 N ATOM 1542 CZ ARG A 102 8.713 17.846 2.083 1.00 0.00 C ATOM 1543 NH1 ARG A 102 7.897 18.746 2.614 1.00 0.00 N ATOM 1544 NH2 ARG A 102 9.285 16.936 2.861 1.00 0.00 N ATOM 0 H ARG A 102 8.412 17.775 -4.708 1.00 0.00 H new ATOM 0 HA ARG A 102 10.813 16.715 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.349 17.595 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.223 18.969 -2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.860 19.026 -2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.758 17.383 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.935 19.749 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.352 19.050 0.166 1.00 0.00 H new ATOM 0 HE ARG A 102 9.588 17.147 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.454 19.447 2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.712 18.738 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.913 16.241 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.097 16.931 3.864 1.00 0.00 H new ATOM 1558 N SER A 103 9.387 14.889 -2.338 1.00 0.00 N ATOM 1559 CA SER A 103 8.613 13.690 -2.038 1.00 0.00 C ATOM 1560 C SER A 103 8.124 13.706 -0.593 1.00 0.00 C ATOM 1561 O SER A 103 8.839 14.138 0.311 1.00 0.00 O ATOM 1562 CB SER A 103 9.456 12.438 -2.289 1.00 0.00 C ATOM 1563 OG SER A 103 10.648 12.464 -1.523 1.00 0.00 O ATOM 0 H SER A 103 10.334 14.886 -1.958 1.00 0.00 H new ATOM 0 HA SER A 103 7.745 13.674 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.877 11.549 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.702 12.368 -3.349 1.00 0.00 H new ATOM 0 HG SER A 103 11.168 11.653 -1.700 1.00 0.00 H new ATOM 1569 N SER A 104 6.900 13.231 -0.384 1.00 0.00 N ATOM 1570 CA SER A 104 6.313 13.194 0.950 1.00 0.00 C ATOM 1571 C SER A 104 6.436 11.800 1.559 1.00 0.00 C ATOM 1572 O SER A 104 7.044 10.904 0.972 1.00 0.00 O ATOM 1573 CB SER A 104 4.841 13.609 0.894 1.00 0.00 C ATOM 1574 OG SER A 104 4.018 12.522 0.509 1.00 0.00 O ATOM 0 H SER A 104 6.296 12.867 -1.121 1.00 0.00 H new ATOM 0 HA SER A 104 6.858 13.897 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.527 13.979 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.718 14.430 0.188 1.00 0.00 H new ATOM 0 HG SER A 104 3.133 12.621 0.917 1.00 0.00 H new ATOM 1580 N THR A 105 5.855 11.624 2.742 1.00 0.00 N ATOM 1581 CA THR A 105 5.900 10.342 3.433 1.00 0.00 C ATOM 1582 C THR A 105 4.819 9.400 2.915 1.00 0.00 C ATOM 1583 O THR A 105 3.887 9.826 2.233 1.00 0.00 O ATOM 1584 CB THR A 105 5.727 10.516 4.953 1.00 0.00 C ATOM 1585 OG1 THR A 105 5.976 9.274 5.620 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.326 11.005 5.286 1.00 0.00 C ATOM 0 H THR A 105 5.347 12.354 3.241 1.00 0.00 H new ATOM 0 HA THR A 105 6.881 9.910 3.234 1.00 0.00 H new ATOM 0 HB THR A 105 6.445 11.261 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.866 9.394 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.228 11.120 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.151 11.965 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.594 10.280 4.931 1.00 0.00 H new ATOM 1594 N TRP A 106 4.950 8.120 3.242 1.00 0.00 N ATOM 1595 CA TRP A 106 3.983 7.118 2.810 1.00 0.00 C ATOM 1596 C TRP A 106 2.790 7.068 3.758 1.00 0.00 C ATOM 1597 O TRP A 106 2.837 7.616 4.859 1.00 0.00 O ATOM 1598 CB TRP A 106 4.645 5.741 2.731 1.00 0.00 C ATOM 1599 CG TRP A 106 5.830 5.704 1.814 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.124 6.000 2.135 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.829 5.351 0.426 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.927 5.853 1.030 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.157 5.455 -0.031 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.836 4.956 -0.474 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.515 5.179 -1.348 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.192 4.682 -1.781 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.522 4.794 -2.208 1.00 0.00 C ATOM 0 H TRP A 106 5.716 7.751 3.805 1.00 0.00 H new ATOM 0 HA TRP A 106 3.625 7.399 1.820 1.00 0.00 H new ATOM 0 HB2 TRP A 106 4.958 5.438 3.730 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.910 5.011 2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.466 6.305 3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.934 6.014 1.004 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.808 4.866 -0.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.539 5.266 -1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.432 4.376 -2.485 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.768 4.572 -3.236 1.00 0.00 H new ATOM 1618 N SER A 107 1.721 6.408 3.324 1.00 0.00 N ATOM 1619 CA SER A 107 0.514 6.290 4.133 1.00 0.00 C ATOM 1620 C SER A 107 0.355 4.871 4.669 1.00 0.00 C ATOM 1621 O SER A 107 1.080 3.960 4.269 1.00 0.00 O ATOM 1622 CB SER A 107 -0.717 6.677 3.311 1.00 0.00 C ATOM 1623 OG SER A 107 -1.912 6.324 3.985 1.00 0.00 O ATOM 0 H SER A 107 1.666 5.947 2.416 1.00 0.00 H new ATOM 0 HA SER A 107 0.606 6.971 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.707 7.750 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.682 6.180 2.342 1.00 0.00 H new ATOM 0 HG SER A 107 -2.517 7.095 4.003 1.00 0.00 H new ATOM 1629 N MET A 108 -0.597 4.691 5.578 1.00 0.00 N ATOM 1630 CA MET A 108 -0.852 3.382 6.169 1.00 0.00 C ATOM 1631 C MET A 108 -0.741 2.281 5.119 1.00 0.00 C ATOM 1632 O MET A 108 -1.196 2.440 3.986 1.00 0.00 O ATOM 1633 CB MET A 108 -2.240 3.351 6.813 1.00 0.00 C ATOM 1634 CG MET A 108 -3.356 3.778 5.873 1.00 0.00 C ATOM 1635 SD MET A 108 -4.948 3.054 6.311 1.00 0.00 S ATOM 1636 CE MET A 108 -4.966 1.610 5.251 1.00 0.00 C ATOM 0 H MET A 108 -1.205 5.435 5.922 1.00 0.00 H new ATOM 0 HA MET A 108 -0.099 3.205 6.937 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.443 2.341 7.170 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.241 4.004 7.686 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.440 4.865 5.885 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.098 3.489 4.854 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.917 1.560 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.151 1.678 4.530 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.841 0.712 5.857 1.00 0.00 H new ATOM 1646 N THR A 109 -0.133 1.163 5.503 1.00 0.00 N ATOM 1647 CA THR A 109 0.039 0.036 4.595 1.00 0.00 C ATOM 1648 C THR A 109 -1.245 -0.778 4.480 1.00 0.00 C ATOM 1649 O THR A 109 -2.035 -0.845 5.420 1.00 0.00 O ATOM 1650 CB THR A 109 1.180 -0.889 5.058 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.446 -0.314 4.715 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.053 -2.265 4.421 1.00 0.00 C ATOM 0 H THR A 109 0.249 1.014 6.437 1.00 0.00 H new ATOM 0 HA THR A 109 0.291 0.452 3.619 1.00 0.00 H new ATOM 0 HB THR A 109 1.113 -0.999 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.120 -0.592 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.870 -2.901 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.101 -2.712 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.097 -2.169 3.336 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.445 -1.396 3.320 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.632 -2.209 3.084 1.00 0.00 C ATOM 1662 C ALA A 110 -2.257 -3.659 2.798 1.00 0.00 C ATOM 1663 O ALA A 110 -1.550 -3.949 1.833 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.443 -1.635 1.931 1.00 0.00 C ATOM 0 H ALA A 110 -0.801 -1.349 2.530 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.241 -2.190 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.327 -2.251 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.751 -0.618 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.833 -1.624 1.027 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.734 -4.567 3.644 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.448 -5.988 3.482 1.00 0.00 C ATOM 1672 C HIS A 111 -3.540 -6.672 2.665 1.00 0.00 C ATOM 1673 O HIS A 111 -4.724 -6.576 2.990 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.319 -6.662 4.848 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.981 -6.460 5.491 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.192 -6.359 4.773 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.634 -6.339 6.794 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.202 -6.186 5.606 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.728 -6.170 6.838 1.00 0.00 N ATOM 0 H HIS A 111 -3.320 -4.344 4.448 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.504 -6.085 2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.093 -6.274 5.510 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.501 -7.731 4.735 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.304 -6.370 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.239 -6.076 5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.283 -6.051 7.685 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.135 -7.361 1.604 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.078 -8.062 0.742 1.00 0.00 C ATOM 1690 C ALA A 112 -3.430 -9.281 0.095 1.00 0.00 C ATOM 1691 O ALA A 112 -2.547 -9.151 -0.754 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.619 -7.121 -0.325 1.00 0.00 C ATOM 0 H ALA A 112 -2.159 -7.449 1.320 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.907 -8.409 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.322 -7.658 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.128 -6.284 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.794 -6.746 -0.931 1.00 0.00 H new ATOM 1698 N THR A 113 -3.872 -10.467 0.501 1.00 0.00 N ATOM 1699 CA THR A 113 -3.334 -11.710 -0.037 1.00 0.00 C ATOM 1700 C THR A 113 -3.962 -12.042 -1.386 1.00 0.00 C ATOM 1701 O THR A 113 -5.125 -11.724 -1.637 1.00 0.00 O ATOM 1702 CB THR A 113 -3.565 -12.887 0.928 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.373 -12.457 2.281 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.617 -14.036 0.617 1.00 0.00 C ATOM 0 H THR A 113 -4.602 -10.593 1.202 1.00 0.00 H new ATOM 0 HA THR A 113 -2.262 -11.561 -0.165 1.00 0.00 H new ATOM 0 HB THR A 113 -4.589 -13.237 0.800 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.524 -13.211 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.799 -14.856 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.785 -14.381 -0.403 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.587 -13.695 0.719 1.00 0.00 H new ATOM 1712 N THR A 114 -3.185 -12.685 -2.253 1.00 0.00 N ATOM 1713 CA THR A 114 -3.666 -13.061 -3.576 1.00 0.00 C ATOM 1714 C THR A 114 -4.376 -14.409 -3.542 1.00 0.00 C ATOM 1715 O THR A 114 -4.198 -15.191 -2.607 1.00 0.00 O ATOM 1716 CB THR A 114 -2.512 -13.127 -4.595 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.428 -13.893 -4.058 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.025 -11.731 -4.953 1.00 0.00 C ATOM 0 H THR A 114 -2.220 -12.956 -2.062 1.00 0.00 H new ATOM 0 HA THR A 114 -4.372 -12.290 -3.886 1.00 0.00 H new ATOM 0 HB THR A 114 -2.883 -13.608 -5.500 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.650 -13.818 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.210 -11.803 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.845 -11.160 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.670 -11.228 -4.054 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.179 -14.676 -4.565 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.918 -15.930 -4.650 1.00 0.00 C ATOM 1728 C TYR A 115 -4.995 -17.080 -5.043 1.00 0.00 C ATOM 1729 O TYR A 115 -4.097 -16.915 -5.867 1.00 0.00 O ATOM 1730 CB TYR A 115 -7.057 -15.808 -5.663 1.00 0.00 C ATOM 1731 CG TYR A 115 -8.038 -14.704 -5.340 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.983 -14.859 -4.333 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -8.020 -13.504 -6.042 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.881 -13.853 -4.035 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.914 -12.492 -5.750 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.843 -12.672 -4.746 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.736 -11.667 -4.452 1.00 0.00 O ATOM 0 H TYR A 115 -5.335 -14.041 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.337 -16.143 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.635 -15.630 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.593 -16.756 -5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.016 -15.782 -3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.295 -13.361 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.609 -13.990 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.886 -11.566 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.574 -10.903 -5.043 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.225 -18.245 -4.445 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.414 -19.423 -4.732 1.00 0.00 C ATOM 1749 C GLU A 116 -4.563 -19.844 -6.191 1.00 0.00 C ATOM 1750 O GLU A 116 -5.628 -20.294 -6.613 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.813 -20.580 -3.813 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.673 -21.539 -3.513 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.077 -22.642 -2.554 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.709 -22.330 -1.524 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.760 -23.817 -2.834 1.00 0.00 O ATOM 0 H GLU A 116 -5.965 -18.398 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.370 -19.167 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.192 -20.174 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.631 -21.134 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.322 -21.983 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.837 -20.983 -3.090 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.487 -19.694 -6.957 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.497 -20.059 -8.368 1.00 0.00 C ATOM 1764 C ALA A 117 -4.109 -21.441 -8.573 1.00 0.00 C ATOM 1765 O ALA A 117 -4.799 -21.683 -9.564 1.00 0.00 O ATOM 1766 CB ALA A 117 -2.085 -20.016 -8.934 1.00 0.00 C ATOM 0 H ALA A 117 -2.598 -19.322 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.113 -19.335 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.107 -20.291 -9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.682 -19.009 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.453 -20.718 -8.389 1.00 0.00 H new