USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 553 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 38 TYR OH : rot 150:sc= -1.28 USER MOD Set 1.2: A 58 GLN : amide:sc= -6.3! C(o=-7.6!,f=-2.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.112 USER MOD Single : A 33 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-4.7e-05) USER MOD Single : A 40 SER OG : rot -140:sc= -0.383 USER MOD Single : A 46 SER OG : rot -51:sc= 1.02 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 72 HIS : no HE2:sc= -0.431 X(o=-0.43,f=-0.47) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.286 -4.406 -6.983 1.00 0.00 N ATOM 82 CA VAL A 9 6.069 -3.011 -6.640 1.00 0.00 C ATOM 83 C VAL A 9 5.024 -2.414 -7.585 1.00 0.00 C ATOM 84 O VAL A 9 5.164 -2.498 -8.804 1.00 0.00 O ATOM 85 CB VAL A 9 7.398 -2.253 -6.663 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.167 -0.741 -6.696 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.275 -2.648 -5.474 1.00 0.00 C ATOM 0 HA VAL A 9 5.678 -2.924 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 9 7.926 -2.531 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.128 -0.226 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.600 -0.479 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.608 -0.439 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.213 -2.095 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.755 -2.414 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.482 -3.717 -5.514 1.00 0.00 H new ATOM 97 N ARG A 10 3.999 -1.825 -6.986 1.00 0.00 N ATOM 98 CA ARG A 10 2.931 -1.214 -7.759 1.00 0.00 C ATOM 99 C ARG A 10 3.168 0.292 -7.894 1.00 0.00 C ATOM 100 O ARG A 10 4.043 0.848 -7.233 1.00 0.00 O ATOM 101 CB ARG A 10 1.570 -1.452 -7.102 1.00 0.00 C ATOM 102 CG ARG A 10 1.472 -0.720 -5.762 1.00 0.00 C ATOM 103 CD ARG A 10 0.208 -1.130 -5.004 1.00 0.00 C ATOM 104 NE ARG A 10 0.557 -2.046 -3.896 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.339 -2.594 -3.063 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.643 -2.320 -3.208 1.00 0.00 N ATOM 107 NH2 ARG A 10 0.069 -3.414 -2.086 1.00 0.00 N ATOM 0 H ARG A 10 3.886 -1.758 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 10 2.931 -1.675 -8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.777 -1.109 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.418 -2.520 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.351 -0.942 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.465 0.357 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.293 -0.245 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.491 -1.618 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 10 1.541 -2.275 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.953 -1.695 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.325 -2.737 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.062 -3.622 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.613 -3.831 -1.452 1.00 0.00 H new ATOM 121 N LEU A 11 2.372 0.908 -8.755 1.00 0.00 N ATOM 122 CA LEU A 11 2.483 2.339 -8.985 1.00 0.00 C ATOM 123 C LEU A 11 1.122 2.997 -8.750 1.00 0.00 C ATOM 124 O LEU A 11 0.244 2.938 -9.610 1.00 0.00 O ATOM 125 CB LEU A 11 3.068 2.614 -10.372 1.00 0.00 C ATOM 126 CG LEU A 11 4.547 2.269 -10.557 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.003 2.557 -11.988 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.412 2.992 -9.523 1.00 0.00 C ATOM 0 H LEU A 11 1.647 0.443 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 11 3.179 2.786 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.490 2.053 -11.106 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.931 3.671 -10.599 1.00 0.00 H new ATOM 0 HG LEU A 11 4.671 1.199 -10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.058 2.303 -12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.415 1.959 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.861 3.615 -12.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.459 2.729 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.288 4.069 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.106 2.693 -8.520 1.00 0.00 H new ATOM 140 N VAL A 12 0.990 3.608 -7.582 1.00 0.00 N ATOM 141 CA VAL A 12 -0.250 4.276 -7.224 1.00 0.00 C ATOM 142 C VAL A 12 -0.138 5.764 -7.560 1.00 0.00 C ATOM 143 O VAL A 12 0.928 6.360 -7.411 1.00 0.00 O ATOM 144 CB VAL A 12 -0.575 4.019 -5.751 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.752 4.883 -5.291 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.853 2.536 -5.501 1.00 0.00 C ATOM 0 H VAL A 12 1.721 3.655 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.082 3.874 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 12 0.298 4.300 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.963 4.681 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.500 5.936 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.632 4.647 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.081 2.381 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.702 2.218 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.026 1.950 -5.772 1.00 0.00 H new ATOM 156 N SER A 13 -1.252 6.323 -8.008 1.00 0.00 N ATOM 157 CA SER A 13 -1.293 7.730 -8.367 1.00 0.00 C ATOM 158 C SER A 13 -2.469 8.415 -7.669 1.00 0.00 C ATOM 159 O SER A 13 -3.623 8.042 -7.879 1.00 0.00 O ATOM 160 CB SER A 13 -1.398 7.909 -9.883 1.00 0.00 C ATOM 161 OG SER A 13 -0.648 6.925 -10.590 1.00 0.00 O ATOM 0 H SER A 13 -2.134 5.826 -8.131 1.00 0.00 H new ATOM 0 HA SER A 13 -0.363 8.194 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.444 7.852 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.042 8.902 -10.156 1.00 0.00 H new ATOM 0 HG SER A 13 -0.742 7.072 -11.554 1.00 0.00 H new ATOM 167 N LEU A 14 -2.137 9.404 -6.853 1.00 0.00 N ATOM 168 CA LEU A 14 -3.152 10.144 -6.122 1.00 0.00 C ATOM 169 C LEU A 14 -3.120 11.611 -6.558 1.00 0.00 C ATOM 170 O LEU A 14 -2.143 12.315 -6.307 1.00 0.00 O ATOM 171 CB LEU A 14 -2.978 9.947 -4.615 1.00 0.00 C ATOM 172 CG LEU A 14 -3.688 8.734 -4.011 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.180 8.746 -4.353 1.00 0.00 C ATOM 174 CD2 LEU A 14 -3.012 7.431 -4.442 1.00 0.00 C ATOM 0 H LEU A 14 -1.179 9.711 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.145 9.762 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.913 9.864 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.336 10.843 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.605 8.795 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.661 7.873 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.637 9.652 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.305 8.721 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.537 6.585 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.042 7.348 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.975 7.431 -4.107 1.00 0.00 H new ATOM 315 N LEU A 23 -4.273 12.899 -0.638 1.00 0.00 N ATOM 316 CA LEU A 23 -4.119 11.690 -1.430 1.00 0.00 C ATOM 317 C LEU A 23 -5.237 10.708 -1.076 1.00 0.00 C ATOM 318 O LEU A 23 -5.991 10.280 -1.948 1.00 0.00 O ATOM 319 CB LEU A 23 -2.714 11.110 -1.254 1.00 0.00 C ATOM 320 CG LEU A 23 -1.628 12.101 -0.827 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.239 11.466 -0.923 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.722 13.398 -1.633 1.00 0.00 C ATOM 0 HA LEU A 23 -4.216 11.916 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.762 10.312 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.411 10.652 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.793 12.359 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.514 12.191 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.192 10.594 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.049 11.161 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.939 14.085 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.596 13.178 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.697 13.857 -1.471 1.00 0.00 H new ATOM 334 N GLY A 24 -5.310 10.379 0.206 1.00 0.00 N ATOM 335 CA GLY A 24 -6.323 9.455 0.685 1.00 0.00 C ATOM 336 C GLY A 24 -5.718 8.423 1.638 1.00 0.00 C ATOM 337 O GLY A 24 -6.442 7.647 2.260 1.00 0.00 O ATOM 0 H GLY A 24 -4.684 10.736 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.112 10.008 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.786 8.947 -0.161 1.00 0.00 H new ATOM 341 N PHE A 25 -4.395 8.446 1.722 1.00 0.00 N ATOM 342 CA PHE A 25 -3.684 7.521 2.588 1.00 0.00 C ATOM 343 C PHE A 25 -2.635 8.253 3.427 1.00 0.00 C ATOM 344 O PHE A 25 -1.877 9.069 2.906 1.00 0.00 O ATOM 345 CB PHE A 25 -2.979 6.511 1.680 1.00 0.00 C ATOM 346 CG PHE A 25 -1.818 7.100 0.877 1.00 0.00 C ATOM 347 CD1 PHE A 25 -2.059 7.730 -0.304 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.545 6.994 1.344 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.982 8.276 -1.050 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.532 7.541 0.598 1.00 0.00 C ATOM 351 CZ PHE A 25 0.291 8.170 -0.583 1.00 0.00 C ATOM 0 H PHE A 25 -3.798 9.091 1.204 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.383 7.037 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.605 5.689 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.708 6.089 0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.070 7.815 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.354 6.494 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.173 8.776 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.543 7.457 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.111 8.586 -1.150 1.00 0.00 H new ATOM 361 N SER A 26 -2.626 7.935 4.713 1.00 0.00 N ATOM 362 CA SER A 26 -1.682 8.552 5.630 1.00 0.00 C ATOM 363 C SER A 26 -0.393 7.730 5.685 1.00 0.00 C ATOM 364 O SER A 26 -0.435 6.501 5.690 1.00 0.00 O ATOM 365 CB SER A 26 -2.285 8.689 7.030 1.00 0.00 C ATOM 366 OG SER A 26 -2.517 10.050 7.380 1.00 0.00 O ATOM 0 H SER A 26 -3.257 7.258 5.142 1.00 0.00 H new ATOM 0 HA SER A 26 -1.452 9.552 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.224 8.138 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.614 8.236 7.760 1.00 0.00 H new ATOM 0 HG SER A 26 -2.904 10.095 8.279 1.00 0.00 H new ATOM 372 N ILE A 27 0.724 8.443 5.725 1.00 0.00 N ATOM 373 CA ILE A 27 2.023 7.795 5.780 1.00 0.00 C ATOM 374 C ILE A 27 2.651 8.037 7.154 1.00 0.00 C ATOM 375 O ILE A 27 2.283 8.981 7.851 1.00 0.00 O ATOM 376 CB ILE A 27 2.900 8.255 4.613 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.271 9.733 4.755 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.227 7.960 3.272 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.778 9.938 4.586 1.00 0.00 C ATOM 0 H ILE A 27 0.756 9.463 5.720 1.00 0.00 H new ATOM 0 HA ILE A 27 1.917 6.716 5.664 1.00 0.00 H new ATOM 0 HB ILE A 27 3.829 7.686 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.735 10.320 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.958 10.098 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.871 8.297 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.056 6.888 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.273 8.485 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.015 10.997 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.310 9.369 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.083 9.594 3.598 1.00 0.00 H new ATOM 391 N ARG A 28 3.589 7.168 7.501 1.00 0.00 N ATOM 392 CA ARG A 28 4.272 7.275 8.780 1.00 0.00 C ATOM 393 C ARG A 28 5.750 6.912 8.624 1.00 0.00 C ATOM 394 O ARG A 28 6.166 6.427 7.573 1.00 0.00 O ATOM 395 CB ARG A 28 3.635 6.355 9.823 1.00 0.00 C ATOM 396 CG ARG A 28 3.718 4.891 9.387 1.00 0.00 C ATOM 397 CD ARG A 28 3.729 3.958 10.600 1.00 0.00 C ATOM 398 NE ARG A 28 2.792 4.457 11.631 1.00 0.00 N ATOM 399 CZ ARG A 28 2.702 3.955 12.870 1.00 0.00 C ATOM 400 NH1 ARG A 28 3.490 2.936 13.239 1.00 0.00 N ATOM 401 NH2 ARG A 28 1.823 4.471 13.740 1.00 0.00 N ATOM 0 H ARG A 28 3.892 6.387 6.919 1.00 0.00 H new ATOM 0 HA ARG A 28 4.182 8.307 9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.139 6.482 10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.592 6.635 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.870 4.650 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.620 4.735 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.446 2.950 10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.736 3.895 11.012 1.00 0.00 H new ATOM 0 HE ARG A 28 2.176 5.231 11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.158 2.542 12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.421 2.554 14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.222 5.246 13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.755 4.089 14.683 1.00 0.00 H new ATOM 415 N GLY A 29 6.502 7.160 9.686 1.00 0.00 N ATOM 416 CA GLY A 29 7.925 6.865 9.680 1.00 0.00 C ATOM 417 C GLY A 29 8.750 8.143 9.515 1.00 0.00 C ATOM 418 O GLY A 29 8.266 9.239 9.795 1.00 0.00 O ATOM 0 H GLY A 29 6.153 7.562 10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.201 6.368 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.153 6.174 8.869 1.00 0.00 H new ATOM 422 N GLY A 30 9.980 7.960 9.060 1.00 0.00 N ATOM 423 CA GLY A 30 10.877 9.085 8.853 1.00 0.00 C ATOM 424 C GLY A 30 12.253 8.809 9.463 1.00 0.00 C ATOM 425 O GLY A 30 12.350 8.316 10.586 1.00 0.00 O ATOM 0 H GLY A 30 10.377 7.050 8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.981 9.280 7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.450 9.982 9.301 1.00 0.00 H new ATOM 429 N SER A 31 13.281 9.138 8.696 1.00 0.00 N ATOM 430 CA SER A 31 14.647 8.932 9.146 1.00 0.00 C ATOM 431 C SER A 31 14.781 9.340 10.615 1.00 0.00 C ATOM 432 O SER A 31 15.529 8.720 11.369 1.00 0.00 O ATOM 433 CB SER A 31 15.636 9.719 8.285 1.00 0.00 C ATOM 434 OG SER A 31 15.549 11.122 8.518 1.00 0.00 O ATOM 0 H SER A 31 13.196 9.546 7.765 1.00 0.00 H new ATOM 0 HA SER A 31 14.883 7.873 9.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.650 9.379 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.443 9.514 7.232 1.00 0.00 H new ATOM 0 HG SER A 31 16.198 11.589 7.951 1.00 0.00 H new ATOM 440 N GLU A 32 14.044 10.380 10.977 1.00 0.00 N ATOM 441 CA GLU A 32 14.071 10.878 12.341 1.00 0.00 C ATOM 442 C GLU A 32 13.938 9.719 13.332 1.00 0.00 C ATOM 443 O GLU A 32 14.796 9.533 14.194 1.00 0.00 O ATOM 444 CB GLU A 32 12.975 11.921 12.566 1.00 0.00 C ATOM 445 CG GLU A 32 13.318 12.832 13.747 1.00 0.00 C ATOM 446 CD GLU A 32 13.218 14.306 13.349 1.00 0.00 C ATOM 447 OE1 GLU A 32 13.976 14.700 12.437 1.00 0.00 O ATOM 448 OE2 GLU A 32 12.385 15.005 13.965 1.00 0.00 O ATOM 0 H GLU A 32 13.424 10.891 10.349 1.00 0.00 H new ATOM 0 HA GLU A 32 15.031 11.366 12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.848 12.521 11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.025 11.421 12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.641 12.629 14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.327 12.614 14.098 1.00 0.00 H new ATOM 455 N HIS A 33 12.856 8.971 13.175 1.00 0.00 N ATOM 456 CA HIS A 33 12.600 7.836 14.045 1.00 0.00 C ATOM 457 C HIS A 33 13.618 6.730 13.761 1.00 0.00 C ATOM 458 O HIS A 33 13.863 5.873 14.608 1.00 0.00 O ATOM 459 CB HIS A 33 11.153 7.359 13.904 1.00 0.00 C ATOM 460 CG HIS A 33 10.275 7.704 15.083 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.303 6.847 15.570 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.232 8.820 15.867 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.708 7.432 16.600 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.285 8.654 16.782 1.00 0.00 N ATOM 0 H HIS A 33 12.147 9.129 12.459 1.00 0.00 H new ATOM 0 HA HIS A 33 12.723 8.137 15.085 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.723 7.797 13.003 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.149 6.278 13.766 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.862 9.691 15.761 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.907 7.014 17.191 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.031 9.329 17.503 1.00 0.00 H new ATOM 472 N GLY A 34 14.185 6.786 12.564 1.00 0.00 N ATOM 473 CA GLY A 34 15.171 5.800 12.157 1.00 0.00 C ATOM 474 C GLY A 34 14.577 4.813 11.150 1.00 0.00 C ATOM 475 O GLY A 34 15.283 3.950 10.630 1.00 0.00 O ATOM 0 H GLY A 34 13.980 7.499 11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.032 6.302 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.532 5.259 13.032 1.00 0.00 H new ATOM 479 N VAL A 35 13.285 4.973 10.904 1.00 0.00 N ATOM 480 CA VAL A 35 12.588 4.107 9.968 1.00 0.00 C ATOM 481 C VAL A 35 12.329 4.872 8.669 1.00 0.00 C ATOM 482 O VAL A 35 12.576 6.074 8.592 1.00 0.00 O ATOM 483 CB VAL A 35 11.308 3.567 10.609 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.538 3.217 12.081 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.156 4.561 10.455 1.00 0.00 C ATOM 0 H VAL A 35 12.702 5.690 11.337 1.00 0.00 H new ATOM 0 HA VAL A 35 13.201 3.241 9.719 1.00 0.00 H new ATOM 0 HB VAL A 35 11.032 2.651 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.613 2.836 12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.315 2.456 12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.850 4.110 12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.258 4.152 10.919 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.419 5.501 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.968 4.739 9.396 1.00 0.00 H new ATOM 495 N GLY A 36 11.834 4.143 7.679 1.00 0.00 N ATOM 496 CA GLY A 36 11.538 4.737 6.387 1.00 0.00 C ATOM 497 C GLY A 36 10.122 5.315 6.360 1.00 0.00 C ATOM 498 O GLY A 36 9.748 6.093 7.237 1.00 0.00 O ATOM 0 H GLY A 36 11.631 3.146 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.260 5.524 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.643 3.985 5.605 1.00 0.00 H new ATOM 502 N ILE A 37 9.372 4.914 5.344 1.00 0.00 N ATOM 503 CA ILE A 37 8.005 5.382 5.192 1.00 0.00 C ATOM 504 C ILE A 37 7.081 4.182 4.977 1.00 0.00 C ATOM 505 O ILE A 37 7.469 3.199 4.348 1.00 0.00 O ATOM 506 CB ILE A 37 7.919 6.432 4.082 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.087 7.416 4.167 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.566 7.145 4.105 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.915 8.371 5.350 1.00 0.00 C ATOM 0 H ILE A 37 9.685 4.270 4.618 1.00 0.00 H new ATOM 0 HA ILE A 37 7.670 5.884 6.100 1.00 0.00 H new ATOM 0 HB ILE A 37 7.997 5.921 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.023 6.867 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.154 7.987 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.531 7.886 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.768 6.417 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.433 7.641 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.759 9.060 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.991 8.936 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.873 7.799 6.277 1.00 0.00 H new ATOM 521 N TYR A 38 5.874 4.302 5.512 1.00 0.00 N ATOM 522 CA TYR A 38 4.891 3.240 5.386 1.00 0.00 C ATOM 523 C TYR A 38 3.474 3.775 5.602 1.00 0.00 C ATOM 524 O TYR A 38 3.284 4.780 6.286 1.00 0.00 O ATOM 525 CB TYR A 38 5.216 2.232 6.490 1.00 0.00 C ATOM 526 CG TYR A 38 6.652 1.705 6.449 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.659 2.397 7.092 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.941 0.539 5.770 1.00 0.00 C ATOM 529 CE1 TYR A 38 9.011 1.902 7.053 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.292 0.044 5.731 1.00 0.00 C ATOM 531 CZ TYR A 38 9.261 0.750 6.375 1.00 0.00 C ATOM 532 OH TYR A 38 10.537 0.282 6.338 1.00 0.00 O ATOM 0 H TYR A 38 5.555 5.119 6.033 1.00 0.00 H new ATOM 0 HA TYR A 38 4.930 2.798 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.039 2.700 7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.528 1.390 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.433 3.309 7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.153 -0.002 5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.808 2.434 7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.531 -0.867 5.203 1.00 0.00 H new ATOM 0 HH TYR A 38 10.525 -0.696 6.272 1.00 0.00 H new ATOM 542 N VAL A 39 2.516 3.081 5.006 1.00 0.00 N ATOM 543 CA VAL A 39 1.123 3.474 5.124 1.00 0.00 C ATOM 544 C VAL A 39 0.640 3.203 6.551 1.00 0.00 C ATOM 545 O VAL A 39 0.901 2.137 7.106 1.00 0.00 O ATOM 546 CB VAL A 39 0.285 2.757 4.064 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.183 3.181 4.147 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.848 3.002 2.662 1.00 0.00 C ATOM 0 H VAL A 39 2.678 2.248 4.440 1.00 0.00 H new ATOM 0 HA VAL A 39 1.011 4.542 4.940 1.00 0.00 H new ATOM 0 HB VAL A 39 0.337 1.687 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.757 2.657 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.578 2.933 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.261 4.256 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.234 2.481 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.841 4.071 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.871 2.629 2.610 1.00 0.00 H new ATOM 558 N SER A 40 -0.054 4.187 7.103 1.00 0.00 N ATOM 559 CA SER A 40 -0.575 4.068 8.455 1.00 0.00 C ATOM 560 C SER A 40 -2.103 3.990 8.421 1.00 0.00 C ATOM 561 O SER A 40 -2.717 3.385 9.299 1.00 0.00 O ATOM 562 CB SER A 40 -0.123 5.242 9.325 1.00 0.00 C ATOM 563 OG SER A 40 -0.893 6.416 9.081 1.00 0.00 O ATOM 0 H SER A 40 -0.268 5.070 6.639 1.00 0.00 H new ATOM 0 HA SER A 40 -0.180 3.152 8.895 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.205 4.967 10.376 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.929 5.452 9.132 1.00 0.00 H new ATOM 0 HG SER A 40 -0.305 7.200 9.088 1.00 0.00 H new ATOM 569 N LEU A 41 -2.673 4.613 7.400 1.00 0.00 N ATOM 570 CA LEU A 41 -4.118 4.622 7.241 1.00 0.00 C ATOM 571 C LEU A 41 -4.462 4.767 5.758 1.00 0.00 C ATOM 572 O LEU A 41 -3.804 5.513 5.034 1.00 0.00 O ATOM 573 CB LEU A 41 -4.748 5.698 8.127 1.00 0.00 C ATOM 574 CG LEU A 41 -6.274 5.799 8.078 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.738 6.456 6.777 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.921 4.429 8.291 1.00 0.00 C ATOM 0 H LEU A 41 -2.161 5.115 6.675 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.544 3.677 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.449 5.512 9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.331 6.664 7.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.601 6.440 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.826 6.516 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.319 7.460 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.400 5.861 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.006 4.529 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.591 3.745 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.628 4.036 9.264 1.00 0.00 H new ATOM 588 N VAL A 42 -5.494 4.044 5.349 1.00 0.00 N ATOM 589 CA VAL A 42 -5.934 4.083 3.964 1.00 0.00 C ATOM 590 C VAL A 42 -7.461 4.158 3.921 1.00 0.00 C ATOM 591 O VAL A 42 -8.145 3.256 4.403 1.00 0.00 O ATOM 592 CB VAL A 42 -5.373 2.881 3.202 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.273 2.511 2.022 1.00 0.00 C ATOM 594 CG2 VAL A 42 -3.940 3.147 2.737 1.00 0.00 C ATOM 0 H VAL A 42 -6.039 3.428 5.952 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.550 4.974 3.466 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.351 2.032 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.851 1.654 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.268 2.259 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.342 3.357 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.565 2.277 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.926 4.015 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.306 3.338 3.603 1.00 0.00 H new ATOM 604 N GLU A 43 -7.953 5.242 3.339 1.00 0.00 N ATOM 605 CA GLU A 43 -9.387 5.447 3.227 1.00 0.00 C ATOM 606 C GLU A 43 -9.994 4.430 2.258 1.00 0.00 C ATOM 607 O GLU A 43 -9.481 4.234 1.157 1.00 0.00 O ATOM 608 CB GLU A 43 -9.704 6.878 2.790 1.00 0.00 C ATOM 609 CG GLU A 43 -9.654 7.839 3.980 1.00 0.00 C ATOM 610 CD GLU A 43 -8.493 8.825 3.839 1.00 0.00 C ATOM 611 OE1 GLU A 43 -8.701 9.853 3.159 1.00 0.00 O ATOM 612 OE2 GLU A 43 -7.424 8.529 4.415 1.00 0.00 O ATOM 0 H GLU A 43 -7.383 5.988 2.940 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.834 5.295 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.990 7.197 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.693 6.912 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.594 8.386 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.545 7.273 4.905 1.00 0.00 H new ATOM 619 N PRO A 44 -11.106 3.794 2.714 1.00 0.00 N ATOM 620 CA PRO A 44 -11.788 2.802 1.899 1.00 0.00 C ATOM 621 C PRO A 44 -12.587 3.470 0.778 1.00 0.00 C ATOM 622 O PRO A 44 -12.913 2.831 -0.221 1.00 0.00 O ATOM 623 CB PRO A 44 -12.662 2.028 2.872 1.00 0.00 C ATOM 624 CG PRO A 44 -12.792 2.906 4.106 1.00 0.00 C ATOM 625 CD PRO A 44 -11.741 4.000 4.012 1.00 0.00 C ATOM 0 HA PRO A 44 -11.098 2.133 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.639 1.818 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.212 1.067 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.790 3.340 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.649 2.316 5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.193 4.990 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.017 3.924 4.823 1.00 0.00 H new ATOM 633 N GLY A 45 -12.880 4.745 0.983 1.00 0.00 N ATOM 634 CA GLY A 45 -13.636 5.506 0.002 1.00 0.00 C ATOM 635 C GLY A 45 -12.738 6.513 -0.721 1.00 0.00 C ATOM 636 O GLY A 45 -13.200 7.574 -1.138 1.00 0.00 O ATOM 0 H GLY A 45 -12.608 5.271 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.085 4.827 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.454 6.031 0.495 1.00 0.00 H new ATOM 640 N SER A 46 -11.471 6.145 -0.846 1.00 0.00 N ATOM 641 CA SER A 46 -10.505 7.002 -1.510 1.00 0.00 C ATOM 642 C SER A 46 -10.009 6.334 -2.794 1.00 0.00 C ATOM 643 O SER A 46 -10.403 5.212 -3.107 1.00 0.00 O ATOM 644 CB SER A 46 -9.326 7.322 -0.589 1.00 0.00 C ATOM 645 OG SER A 46 -8.649 6.144 -0.160 1.00 0.00 O ATOM 0 H SER A 46 -11.092 5.264 -0.498 1.00 0.00 H new ATOM 0 HA SER A 46 -10.998 7.941 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.625 7.973 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.685 7.871 0.281 1.00 0.00 H new ATOM 0 HG SER A 46 -9.298 5.509 0.209 1.00 0.00 H new ATOM 651 N LEU A 47 -9.151 7.053 -3.504 1.00 0.00 N ATOM 652 CA LEU A 47 -8.597 6.544 -4.747 1.00 0.00 C ATOM 653 C LEU A 47 -7.492 5.533 -4.432 1.00 0.00 C ATOM 654 O LEU A 47 -7.509 4.412 -4.937 1.00 0.00 O ATOM 655 CB LEU A 47 -8.138 7.698 -5.641 1.00 0.00 C ATOM 656 CG LEU A 47 -7.498 7.300 -6.973 1.00 0.00 C ATOM 657 CD1 LEU A 47 -8.192 6.076 -7.571 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.479 8.481 -7.946 1.00 0.00 C ATOM 0 H LEU A 47 -8.826 7.984 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.361 6.015 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.998 8.334 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.423 8.302 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.461 7.021 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.718 5.815 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.110 5.237 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.244 6.302 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.019 8.172 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.500 8.814 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.904 9.300 -7.513 1.00 0.00 H new ATOM 670 N ALA A 48 -6.558 5.967 -3.597 1.00 0.00 N ATOM 671 CA ALA A 48 -5.448 5.114 -3.209 1.00 0.00 C ATOM 672 C ALA A 48 -5.960 3.690 -2.981 1.00 0.00 C ATOM 673 O ALA A 48 -5.519 2.754 -3.647 1.00 0.00 O ATOM 674 CB ALA A 48 -4.768 5.694 -1.967 1.00 0.00 C ATOM 0 H ALA A 48 -6.548 6.897 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.701 5.073 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.935 5.054 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.396 6.694 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.487 5.747 -1.150 1.00 0.00 H new ATOM 680 N GLU A 49 -6.883 3.570 -2.039 1.00 0.00 N ATOM 681 CA GLU A 49 -7.460 2.276 -1.716 1.00 0.00 C ATOM 682 C GLU A 49 -7.880 1.548 -2.994 1.00 0.00 C ATOM 683 O GLU A 49 -7.629 0.353 -3.143 1.00 0.00 O ATOM 684 CB GLU A 49 -8.642 2.427 -0.756 1.00 0.00 C ATOM 685 CG GLU A 49 -9.520 1.174 -0.767 1.00 0.00 C ATOM 686 CD GLU A 49 -10.522 1.217 -1.922 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.320 2.180 -1.947 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.469 0.286 -2.755 1.00 0.00 O ATOM 0 H GLU A 49 -7.246 4.348 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.701 1.677 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.274 2.609 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.237 3.295 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.893 0.287 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.054 1.091 0.180 1.00 0.00 H new ATOM 695 N LYS A 50 -8.512 2.299 -3.884 1.00 0.00 N ATOM 696 CA LYS A 50 -8.970 1.739 -5.144 1.00 0.00 C ATOM 697 C LYS A 50 -7.760 1.418 -6.024 1.00 0.00 C ATOM 698 O LYS A 50 -7.806 0.496 -6.836 1.00 0.00 O ATOM 699 CB LYS A 50 -9.982 2.674 -5.809 1.00 0.00 C ATOM 700 CG LYS A 50 -11.255 2.792 -4.967 1.00 0.00 C ATOM 701 CD LYS A 50 -12.274 3.713 -5.641 1.00 0.00 C ATOM 702 CE LYS A 50 -13.508 2.928 -6.091 1.00 0.00 C ATOM 703 NZ LYS A 50 -13.978 3.412 -7.408 1.00 0.00 N ATOM 0 H LYS A 50 -8.718 3.290 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.500 0.802 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.538 3.660 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.232 2.299 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.692 1.804 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.007 3.179 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.572 4.500 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.815 4.201 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.269 1.866 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.303 3.034 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.816 2.869 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.225 4.420 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.223 3.288 -8.113 1.00 0.00 H new ATOM 717 N GLU A 51 -6.705 2.197 -5.832 1.00 0.00 N ATOM 718 CA GLU A 51 -5.485 2.007 -6.597 1.00 0.00 C ATOM 719 C GLU A 51 -4.764 0.738 -6.140 1.00 0.00 C ATOM 720 O GLU A 51 -3.966 0.170 -6.884 1.00 0.00 O ATOM 721 CB GLU A 51 -4.571 3.229 -6.484 1.00 0.00 C ATOM 722 CG GLU A 51 -5.207 4.453 -7.145 1.00 0.00 C ATOM 723 CD GLU A 51 -5.590 4.156 -8.596 1.00 0.00 C ATOM 724 OE1 GLU A 51 -6.687 3.588 -8.788 1.00 0.00 O ATOM 725 OE2 GLU A 51 -4.778 4.503 -9.480 1.00 0.00 O ATOM 0 H GLU A 51 -6.670 2.961 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.752 1.891 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.370 3.442 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.612 3.015 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.093 4.754 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.511 5.291 -7.113 1.00 0.00 H new ATOM 732 N GLY A 52 -5.070 0.330 -4.917 1.00 0.00 N ATOM 733 CA GLY A 52 -4.460 -0.862 -4.351 1.00 0.00 C ATOM 734 C GLY A 52 -3.842 -0.565 -2.983 1.00 0.00 C ATOM 735 O GLY A 52 -3.779 -1.442 -2.123 1.00 0.00 O ATOM 0 H GLY A 52 -5.732 0.803 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.210 -1.647 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.692 -1.238 -5.027 1.00 0.00 H new ATOM 739 N LEU A 53 -3.402 0.675 -2.825 1.00 0.00 N ATOM 740 CA LEU A 53 -2.792 1.098 -1.576 1.00 0.00 C ATOM 741 C LEU A 53 -3.569 0.497 -0.404 1.00 0.00 C ATOM 742 O LEU A 53 -4.751 0.183 -0.534 1.00 0.00 O ATOM 743 CB LEU A 53 -2.681 2.623 -1.524 1.00 0.00 C ATOM 744 CG LEU A 53 -1.375 3.182 -0.957 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.328 3.354 -2.060 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.621 4.484 -0.193 1.00 0.00 C ATOM 0 H LEU A 53 -3.456 1.400 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.770 0.725 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.811 3.011 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.507 3.007 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.976 2.461 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.591 3.753 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.123 2.388 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.705 4.044 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.676 4.860 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.055 5.224 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.308 4.297 0.632 1.00 0.00 H new ATOM 758 N ARG A 54 -2.874 0.355 0.715 1.00 0.00 N ATOM 759 CA ARG A 54 -3.484 -0.203 1.910 1.00 0.00 C ATOM 760 C ARG A 54 -2.471 -0.241 3.056 1.00 0.00 C ATOM 761 O ARG A 54 -1.296 -0.534 2.840 1.00 0.00 O ATOM 762 CB ARG A 54 -4.006 -1.618 1.653 1.00 0.00 C ATOM 763 CG ARG A 54 -5.476 -1.742 2.057 1.00 0.00 C ATOM 764 CD ARG A 54 -5.610 -2.310 3.471 1.00 0.00 C ATOM 765 NE ARG A 54 -6.892 -3.038 3.605 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.177 -3.879 4.608 1.00 0.00 C ATOM 767 NH1 ARG A 54 -6.273 -4.103 5.572 1.00 0.00 N ATOM 768 NH2 ARG A 54 -8.366 -4.495 4.649 1.00 0.00 N ATOM 0 H ARG A 54 -1.894 0.617 0.819 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.323 0.437 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.893 -1.865 0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.409 -2.337 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.954 -0.764 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.998 -2.388 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.777 -2.981 3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.563 -1.503 4.202 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.603 -2.890 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.368 -3.633 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.490 -4.743 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.055 -4.324 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.583 -5.135 5.413 1.00 0.00 H new ATOM 782 N VAL A 55 -2.962 0.061 4.248 1.00 0.00 N ATOM 783 CA VAL A 55 -2.114 0.065 5.428 1.00 0.00 C ATOM 784 C VAL A 55 -1.234 -1.186 5.422 1.00 0.00 C ATOM 785 O VAL A 55 -1.741 -2.307 5.420 1.00 0.00 O ATOM 786 CB VAL A 55 -2.973 0.186 6.689 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.135 -0.050 7.947 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.676 1.543 6.745 1.00 0.00 C ATOM 0 H VAL A 55 -3.937 0.305 4.423 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.450 0.929 5.419 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.740 -0.587 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.769 0.042 8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.702 -1.050 7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.336 0.690 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.280 1.603 7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.931 2.339 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.319 1.656 5.872 1.00 0.00 H new ATOM 798 N GLY A 56 0.071 -0.952 5.421 1.00 0.00 N ATOM 799 CA GLY A 56 1.027 -2.046 5.415 1.00 0.00 C ATOM 800 C GLY A 56 2.101 -1.831 4.347 1.00 0.00 C ATOM 801 O GLY A 56 3.283 -2.062 4.594 1.00 0.00 O ATOM 0 H GLY A 56 0.488 -0.021 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.496 -2.129 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.508 -2.986 5.229 1.00 0.00 H new ATOM 805 N ASP A 57 1.651 -1.389 3.181 1.00 0.00 N ATOM 806 CA ASP A 57 2.558 -1.140 2.074 1.00 0.00 C ATOM 807 C ASP A 57 3.740 -0.303 2.569 1.00 0.00 C ATOM 808 O ASP A 57 3.764 0.124 3.722 1.00 0.00 O ATOM 809 CB ASP A 57 1.862 -0.360 0.957 1.00 0.00 C ATOM 810 CG ASP A 57 1.188 -1.224 -0.111 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.233 -2.463 0.050 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.644 -0.627 -1.064 1.00 0.00 O ATOM 0 H ASP A 57 0.670 -1.197 2.980 1.00 0.00 H new ATOM 0 HA ASP A 57 2.892 -2.103 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.111 0.292 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.596 0.284 0.472 1.00 0.00 H new ATOM 817 N GLN A 58 4.692 -0.095 1.671 1.00 0.00 N ATOM 818 CA GLN A 58 5.875 0.683 2.001 1.00 0.00 C ATOM 819 C GLN A 58 6.232 1.622 0.847 1.00 0.00 C ATOM 820 O GLN A 58 6.564 1.168 -0.247 1.00 0.00 O ATOM 821 CB GLN A 58 7.052 -0.230 2.350 1.00 0.00 C ATOM 822 CG GLN A 58 8.285 0.588 2.736 1.00 0.00 C ATOM 823 CD GLN A 58 9.469 -0.324 3.063 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.516 -1.483 2.683 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.419 0.260 3.786 1.00 0.00 N ATOM 0 H GLN A 58 4.669 -0.451 0.716 1.00 0.00 H new ATOM 0 HA GLN A 58 5.654 1.288 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.775 -0.887 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.287 -0.868 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.552 1.257 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.055 1.214 3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.317 1.234 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.250 -0.266 4.056 1.00 0.00 H new ATOM 834 N ILE A 59 6.151 2.914 1.131 1.00 0.00 N ATOM 835 CA ILE A 59 6.462 3.920 0.130 1.00 0.00 C ATOM 836 C ILE A 59 7.965 3.902 -0.156 1.00 0.00 C ATOM 837 O ILE A 59 8.723 4.668 0.436 1.00 0.00 O ATOM 838 CB ILE A 59 5.936 5.289 0.566 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.454 5.214 0.940 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.204 6.347 -0.507 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.584 5.030 -0.305 1.00 0.00 C ATOM 0 H ILE A 59 5.875 3.287 2.039 1.00 0.00 H new ATOM 0 HA ILE A 59 5.956 3.693 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 59 6.478 5.594 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.290 4.385 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.160 6.125 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.820 7.311 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.277 6.425 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.706 6.060 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.535 4.980 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.732 5.873 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.864 4.106 -0.811 1.00 0.00 H new ATOM 853 N LEU A 60 8.350 3.018 -1.065 1.00 0.00 N ATOM 854 CA LEU A 60 9.749 2.889 -1.437 1.00 0.00 C ATOM 855 C LEU A 60 10.216 4.185 -2.103 1.00 0.00 C ATOM 856 O LEU A 60 11.301 4.683 -1.807 1.00 0.00 O ATOM 857 CB LEU A 60 9.962 1.643 -2.299 1.00 0.00 C ATOM 858 CG LEU A 60 9.332 0.350 -1.776 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.502 -0.789 -2.783 1.00 0.00 C ATOM 860 CD2 LEU A 60 9.890 -0.014 -0.399 1.00 0.00 C ATOM 0 H LEU A 60 7.718 2.385 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 60 10.367 2.744 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.564 1.841 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.034 1.482 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 60 8.261 0.516 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.046 -1.696 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.018 -0.520 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.563 -0.964 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.426 -0.937 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.969 -0.155 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.674 0.789 0.305 1.00 0.00 H new ATOM 872 N ARG A 61 9.374 4.693 -2.991 1.00 0.00 N ATOM 873 CA ARG A 61 9.687 5.921 -3.702 1.00 0.00 C ATOM 874 C ARG A 61 8.453 6.823 -3.772 1.00 0.00 C ATOM 875 O ARG A 61 7.345 6.391 -3.456 1.00 0.00 O ATOM 876 CB ARG A 61 10.176 5.626 -5.121 1.00 0.00 C ATOM 877 CG ARG A 61 11.695 5.442 -5.150 1.00 0.00 C ATOM 878 CD ARG A 61 12.150 4.856 -6.488 1.00 0.00 C ATOM 879 NE ARG A 61 12.107 3.377 -6.434 1.00 0.00 N ATOM 880 CZ ARG A 61 12.324 2.580 -7.489 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.601 3.114 -8.687 1.00 0.00 N ATOM 882 NH2 ARG A 61 12.264 1.249 -7.347 1.00 0.00 N ATOM 0 H ARG A 61 8.475 4.276 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 61 10.481 6.428 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.690 4.726 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.892 6.443 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.185 6.402 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.001 4.783 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.507 5.218 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.162 5.191 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 61 11.899 2.937 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.647 4.127 -8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.766 2.507 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.053 0.842 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.429 0.642 -8.150 1.00 0.00 H new ATOM 896 N VAL A 62 8.686 8.059 -4.187 1.00 0.00 N ATOM 897 CA VAL A 62 7.607 9.026 -4.303 1.00 0.00 C ATOM 898 C VAL A 62 7.850 9.911 -5.527 1.00 0.00 C ATOM 899 O VAL A 62 8.781 10.714 -5.542 1.00 0.00 O ATOM 900 CB VAL A 62 7.479 9.824 -3.004 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.618 10.837 -2.868 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.117 10.516 -2.918 1.00 0.00 C ATOM 0 H VAL A 62 9.606 8.414 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 62 6.654 8.519 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 62 7.552 9.124 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.503 11.391 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.573 10.312 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.590 11.531 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.052 11.076 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.002 11.198 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.326 9.767 -2.947 1.00 0.00 H new ATOM 912 N ASN A 63 6.996 9.733 -6.524 1.00 0.00 N ATOM 913 CA ASN A 63 7.106 10.506 -7.750 1.00 0.00 C ATOM 914 C ASN A 63 8.344 10.050 -8.525 1.00 0.00 C ATOM 915 O ASN A 63 8.233 9.558 -9.647 1.00 0.00 O ATOM 916 CB ASN A 63 7.259 11.998 -7.449 1.00 0.00 C ATOM 917 CG ASN A 63 6.543 12.846 -8.503 1.00 0.00 C ATOM 918 OD1 ASN A 63 6.313 12.425 -9.624 1.00 0.00 O ATOM 919 ND2 ASN A 63 6.206 14.061 -8.081 1.00 0.00 N ATOM 0 H ASN A 63 6.225 9.065 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 63 6.198 10.347 -8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.851 12.217 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.317 12.261 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.725 14.704 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.429 14.350 -7.129 1.00 0.00 H new ATOM 926 N ASP A 64 9.496 10.231 -7.897 1.00 0.00 N ATOM 927 CA ASP A 64 10.754 9.846 -8.513 1.00 0.00 C ATOM 928 C ASP A 64 11.813 9.653 -7.425 1.00 0.00 C ATOM 929 O ASP A 64 12.544 8.664 -7.434 1.00 0.00 O ATOM 930 CB ASP A 64 11.253 10.929 -9.472 1.00 0.00 C ATOM 931 CG ASP A 64 11.346 10.502 -10.938 1.00 0.00 C ATOM 932 OD1 ASP A 64 11.349 9.274 -11.173 1.00 0.00 O ATOM 933 OD2 ASP A 64 11.412 11.413 -11.791 1.00 0.00 O ATOM 0 H ASP A 64 9.585 10.640 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 64 10.588 8.922 -9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.588 11.790 -9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.238 11.259 -9.142 1.00 0.00 H new ATOM 938 N LYS A 65 11.861 10.614 -6.515 1.00 0.00 N ATOM 939 CA LYS A 65 12.818 10.563 -5.422 1.00 0.00 C ATOM 940 C LYS A 65 12.439 9.427 -4.471 1.00 0.00 C ATOM 941 O LYS A 65 11.257 9.164 -4.252 1.00 0.00 O ATOM 942 CB LYS A 65 12.924 11.928 -4.739 1.00 0.00 C ATOM 943 CG LYS A 65 13.587 12.953 -5.661 1.00 0.00 C ATOM 944 CD LYS A 65 15.097 13.014 -5.419 1.00 0.00 C ATOM 945 CE LYS A 65 15.854 12.197 -6.468 1.00 0.00 C ATOM 946 NZ LYS A 65 17.020 12.956 -6.972 1.00 0.00 N ATOM 0 H LYS A 65 11.253 11.433 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 65 13.817 10.343 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.930 12.276 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.501 11.834 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.392 12.691 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.148 13.936 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.432 14.051 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.325 12.634 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.186 11.254 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.188 11.950 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.523 12.388 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.695 13.844 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.662 13.170 -6.183 1.00 0.00 H new ATOM 960 N SER A 66 13.463 8.783 -3.931 1.00 0.00 N ATOM 961 CA SER A 66 13.252 7.681 -3.008 1.00 0.00 C ATOM 962 C SER A 66 13.366 8.177 -1.566 1.00 0.00 C ATOM 963 O SER A 66 14.209 9.019 -1.260 1.00 0.00 O ATOM 964 CB SER A 66 14.253 6.551 -3.261 1.00 0.00 C ATOM 965 OG SER A 66 15.600 7.017 -3.242 1.00 0.00 O ATOM 0 H SER A 66 14.442 9.003 -4.115 1.00 0.00 H new ATOM 0 HA SER A 66 12.249 7.286 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.126 5.778 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.043 6.089 -4.226 1.00 0.00 H new ATOM 0 HG SER A 66 16.208 6.266 -3.406 1.00 0.00 H new ATOM 971 N LEU A 67 12.504 7.634 -0.717 1.00 0.00 N ATOM 972 CA LEU A 67 12.497 8.012 0.686 1.00 0.00 C ATOM 973 C LEU A 67 13.289 6.979 1.491 1.00 0.00 C ATOM 974 O LEU A 67 12.848 6.545 2.554 1.00 0.00 O ATOM 975 CB LEU A 67 11.063 8.209 1.180 1.00 0.00 C ATOM 976 CG LEU A 67 10.115 8.931 0.219 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.655 8.704 0.616 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.459 10.418 0.124 1.00 0.00 C ATOM 0 H LEU A 67 11.806 6.936 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 67 12.992 8.973 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.641 7.230 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.096 8.768 2.115 1.00 0.00 H new ATOM 0 HG LEU A 67 10.248 8.506 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.002 9.228 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.433 7.637 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.488 9.085 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.771 10.907 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.372 10.875 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.480 10.533 -0.240 1.00 0.00 H new ATOM 990 N ALA A 68 14.444 6.616 0.954 1.00 0.00 N ATOM 991 CA ALA A 68 15.301 5.643 1.609 1.00 0.00 C ATOM 992 C ALA A 68 15.356 5.946 3.108 1.00 0.00 C ATOM 993 O ALA A 68 15.002 5.101 3.929 1.00 0.00 O ATOM 994 CB ALA A 68 16.686 5.662 0.959 1.00 0.00 C ATOM 0 H ALA A 68 14.807 6.978 0.072 1.00 0.00 H new ATOM 0 HA ALA A 68 14.899 4.637 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.329 4.932 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.595 5.412 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.122 6.656 1.061 1.00 0.00 H new ATOM 1000 N ARG A 69 15.803 7.153 3.419 1.00 0.00 N ATOM 1001 CA ARG A 69 15.910 7.578 4.804 1.00 0.00 C ATOM 1002 C ARG A 69 15.833 9.103 4.899 1.00 0.00 C ATOM 1003 O ARG A 69 16.857 9.783 4.858 1.00 0.00 O ATOM 1004 CB ARG A 69 17.223 7.100 5.428 1.00 0.00 C ATOM 1005 CG ARG A 69 16.965 6.310 6.712 1.00 0.00 C ATOM 1006 CD ARG A 69 18.176 6.369 7.645 1.00 0.00 C ATOM 1007 NE ARG A 69 18.315 5.088 8.374 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.258 4.847 9.296 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.150 5.798 9.606 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.308 3.656 9.907 1.00 0.00 N ATOM 0 H ARG A 69 16.096 7.851 2.735 1.00 0.00 H new ATOM 0 HA ARG A 69 15.079 7.134 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.762 6.476 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.859 7.958 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.089 6.713 7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.741 5.272 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.080 6.570 7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.060 7.190 8.353 1.00 0.00 H new ATOM 0 HE ARG A 69 17.652 4.342 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.111 6.705 9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.868 5.615 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.629 2.933 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.025 3.472 10.608 1.00 0.00 H new ATOM 1024 N VAL A 70 14.609 9.596 5.024 1.00 0.00 N ATOM 1025 CA VAL A 70 14.386 11.028 5.125 1.00 0.00 C ATOM 1026 C VAL A 70 13.361 11.303 6.228 1.00 0.00 C ATOM 1027 O VAL A 70 12.439 10.515 6.434 1.00 0.00 O ATOM 1028 CB VAL A 70 13.966 11.589 3.765 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.060 11.367 2.719 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.638 10.981 3.308 1.00 0.00 C ATOM 0 H VAL A 70 13.762 9.029 5.058 1.00 0.00 H new ATOM 0 HA VAL A 70 15.307 11.540 5.402 1.00 0.00 H new ATOM 0 HB VAL A 70 13.822 12.664 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.736 11.775 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.974 11.869 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.250 10.299 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.362 11.396 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.743 9.899 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.861 11.213 4.037 1.00 0.00 H new ATOM 1040 N THR A 71 13.558 12.423 6.907 1.00 0.00 N ATOM 1041 CA THR A 71 12.662 12.812 7.984 1.00 0.00 C ATOM 1042 C THR A 71 11.216 12.851 7.486 1.00 0.00 C ATOM 1043 O THR A 71 10.971 12.992 6.290 1.00 0.00 O ATOM 1044 CB THR A 71 13.148 14.151 8.542 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.604 14.862 7.394 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.400 14.004 9.411 1.00 0.00 C ATOM 0 H THR A 71 14.324 13.074 6.733 1.00 0.00 H new ATOM 0 HA THR A 71 12.675 12.082 8.793 1.00 0.00 H new ATOM 0 HB THR A 71 12.351 14.610 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.935 15.744 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.703 14.983 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.183 13.348 10.254 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.207 13.576 8.817 1.00 0.00 H new ATOM 1054 N HIS A 72 10.296 12.722 8.431 1.00 0.00 N ATOM 1055 CA HIS A 72 8.880 12.740 8.104 1.00 0.00 C ATOM 1056 C HIS A 72 8.553 14.006 7.308 1.00 0.00 C ATOM 1057 O HIS A 72 7.740 13.970 6.386 1.00 0.00 O ATOM 1058 CB HIS A 72 8.029 12.599 9.367 1.00 0.00 C ATOM 1059 CG HIS A 72 6.654 12.025 9.121 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.496 12.628 9.579 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.265 10.898 8.458 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.463 11.889 9.205 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.941 10.817 8.511 1.00 0.00 N ATOM 0 H HIS A 72 10.503 12.605 9.423 1.00 0.00 H new ATOM 0 HA HIS A 72 8.638 11.884 7.475 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.555 11.962 10.078 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.924 13.579 9.833 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.446 13.495 10.114 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.922 10.192 7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.424 12.099 9.413 1.00 0.00 H new ATOM 1071 N ALA A 73 9.205 15.093 7.693 1.00 0.00 N ATOM 1072 CA ALA A 73 8.994 16.367 7.027 1.00 0.00 C ATOM 1073 C ALA A 73 9.463 16.262 5.575 1.00 0.00 C ATOM 1074 O ALA A 73 8.839 16.822 4.675 1.00 0.00 O ATOM 1075 CB ALA A 73 9.721 17.472 7.796 1.00 0.00 C ATOM 0 H ALA A 73 9.880 15.118 8.458 1.00 0.00 H new ATOM 0 HA ALA A 73 7.934 16.622 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.563 18.428 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.331 17.525 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.788 17.252 7.828 1.00 0.00 H new ATOM 1081 N GLU A 74 10.559 15.540 5.391 1.00 0.00 N ATOM 1082 CA GLU A 74 11.119 15.355 4.063 1.00 0.00 C ATOM 1083 C GLU A 74 10.172 14.518 3.200 1.00 0.00 C ATOM 1084 O GLU A 74 9.823 14.917 2.090 1.00 0.00 O ATOM 1085 CB GLU A 74 12.505 14.712 4.138 1.00 0.00 C ATOM 1086 CG GLU A 74 13.584 15.764 4.403 1.00 0.00 C ATOM 1087 CD GLU A 74 13.629 16.799 3.278 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.069 16.416 2.172 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.223 17.950 3.549 1.00 0.00 O ATOM 0 H GLU A 74 11.074 15.076 6.139 1.00 0.00 H new ATOM 0 HA GLU A 74 11.233 16.334 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.520 13.963 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.720 14.193 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.386 16.262 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.556 15.278 4.494 1.00 0.00 H new ATOM 1096 N ALA A 75 9.784 13.374 3.743 1.00 0.00 N ATOM 1097 CA ALA A 75 8.884 12.478 3.036 1.00 0.00 C ATOM 1098 C ALA A 75 7.663 13.264 2.554 1.00 0.00 C ATOM 1099 O ALA A 75 7.324 13.227 1.372 1.00 0.00 O ATOM 1100 CB ALA A 75 8.503 11.311 3.950 1.00 0.00 C ATOM 0 H ALA A 75 10.076 13.047 4.664 1.00 0.00 H new ATOM 0 HA ALA A 75 9.373 12.058 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.828 10.639 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.402 10.768 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.007 11.694 4.842 1.00 0.00 H new ATOM 1106 N VAL A 76 7.036 13.955 3.494 1.00 0.00 N ATOM 1107 CA VAL A 76 5.860 14.749 3.179 1.00 0.00 C ATOM 1108 C VAL A 76 6.204 15.747 2.073 1.00 0.00 C ATOM 1109 O VAL A 76 5.543 15.783 1.036 1.00 0.00 O ATOM 1110 CB VAL A 76 5.328 15.421 4.447 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.064 16.230 4.149 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.073 14.390 5.548 1.00 0.00 C ATOM 0 H VAL A 76 7.319 13.982 4.473 1.00 0.00 H new ATOM 0 HA VAL A 76 5.059 14.112 2.803 1.00 0.00 H new ATOM 0 HB VAL A 76 6.091 16.112 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.706 16.697 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.291 17.002 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.293 15.568 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.696 14.894 6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.337 13.663 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.004 13.877 5.789 1.00 0.00 H new ATOM 1122 N LYS A 77 7.239 16.534 2.330 1.00 0.00 N ATOM 1123 CA LYS A 77 7.679 17.530 1.369 1.00 0.00 C ATOM 1124 C LYS A 77 7.968 16.848 0.030 1.00 0.00 C ATOM 1125 O LYS A 77 7.945 17.493 -1.017 1.00 0.00 O ATOM 1126 CB LYS A 77 8.865 18.323 1.924 1.00 0.00 C ATOM 1127 CG LYS A 77 8.386 19.532 2.731 1.00 0.00 C ATOM 1128 CD LYS A 77 9.539 20.156 3.519 1.00 0.00 C ATOM 1129 CE LYS A 77 9.967 21.489 2.903 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.442 21.610 2.900 1.00 0.00 N ATOM 0 H LYS A 77 7.785 16.501 3.191 1.00 0.00 H new ATOM 0 HA LYS A 77 6.891 18.262 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.475 17.678 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.500 18.657 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.956 20.275 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.596 19.226 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.235 20.311 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.386 19.470 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.588 21.563 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.530 22.313 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.715 22.521 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.796 21.561 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.853 20.834 2.343 1.00 0.00 H new ATOM 1144 N ALA A 78 8.235 15.553 0.108 1.00 0.00 N ATOM 1145 CA ALA A 78 8.528 14.776 -1.085 1.00 0.00 C ATOM 1146 C ALA A 78 7.216 14.375 -1.762 1.00 0.00 C ATOM 1147 O ALA A 78 7.087 14.473 -2.982 1.00 0.00 O ATOM 1148 CB ALA A 78 9.384 13.566 -0.708 1.00 0.00 C ATOM 0 H ALA A 78 8.255 15.022 0.979 1.00 0.00 H new ATOM 0 HA ALA A 78 9.099 15.369 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.604 12.983 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.317 13.906 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.842 12.945 0.006 1.00 0.00 H new ATOM 1154 N LEU A 79 6.275 13.931 -0.942 1.00 0.00 N ATOM 1155 CA LEU A 79 4.978 13.515 -1.446 1.00 0.00 C ATOM 1156 C LEU A 79 4.341 14.671 -2.220 1.00 0.00 C ATOM 1157 O LEU A 79 3.797 14.471 -3.305 1.00 0.00 O ATOM 1158 CB LEU A 79 4.106 12.983 -0.307 1.00 0.00 C ATOM 1159 CG LEU A 79 4.304 11.510 0.058 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.845 11.234 1.491 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.609 10.596 -0.952 1.00 0.00 C ATOM 0 H LEU A 79 6.385 13.850 0.069 1.00 0.00 H new ATOM 0 HA LEU A 79 5.089 12.686 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.296 13.586 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.060 13.133 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 79 5.370 11.288 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.996 10.180 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.424 11.846 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.787 11.479 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.766 9.555 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.541 10.812 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.025 10.768 -1.945 1.00 0.00 H new ATOM 1257 N LEU A 85 1.685 12.598 -8.962 1.00 0.00 N ATOM 1258 CA LEU A 85 2.337 11.974 -7.824 1.00 0.00 C ATOM 1259 C LEU A 85 2.250 10.453 -7.963 1.00 0.00 C ATOM 1260 O LEU A 85 1.187 9.867 -7.763 1.00 0.00 O ATOM 1261 CB LEU A 85 1.752 12.506 -6.514 1.00 0.00 C ATOM 1262 CG LEU A 85 2.234 11.817 -5.235 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.713 11.439 -5.340 1.00 0.00 C ATOM 1264 CD2 LEU A 85 1.949 12.681 -4.006 1.00 0.00 C ATOM 0 HA LEU A 85 3.396 12.233 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.984 13.568 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.666 12.420 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 85 1.673 10.890 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.030 10.951 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.856 10.758 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.308 12.338 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.301 12.168 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.466 13.636 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.876 12.856 -3.925 1.00 0.00 H new ATOM 1276 N VAL A 86 3.383 9.856 -8.304 1.00 0.00 N ATOM 1277 CA VAL A 86 3.448 8.415 -8.473 1.00 0.00 C ATOM 1278 C VAL A 86 3.980 7.779 -7.187 1.00 0.00 C ATOM 1279 O VAL A 86 5.178 7.829 -6.914 1.00 0.00 O ATOM 1280 CB VAL A 86 4.290 8.069 -9.703 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.652 6.582 -9.719 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.570 8.473 -10.991 1.00 0.00 C ATOM 0 H VAL A 86 4.263 10.345 -8.468 1.00 0.00 H new ATOM 0 HA VAL A 86 2.453 8.006 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 86 5.218 8.638 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.250 6.363 -10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.224 6.337 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.740 5.986 -9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.190 8.216 -11.850 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.620 7.944 -11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.387 9.548 -10.984 1.00 0.00 H new ATOM 1292 N LEU A 87 3.062 7.195 -6.430 1.00 0.00 N ATOM 1293 CA LEU A 87 3.423 6.550 -5.179 1.00 0.00 C ATOM 1294 C LEU A 87 4.034 5.179 -5.475 1.00 0.00 C ATOM 1295 O LEU A 87 3.411 4.347 -6.131 1.00 0.00 O ATOM 1296 CB LEU A 87 2.219 6.497 -4.236 1.00 0.00 C ATOM 1297 CG LEU A 87 1.477 7.818 -4.020 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.460 8.978 -3.854 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.474 8.073 -5.147 1.00 0.00 C ATOM 0 H LEU A 87 2.069 7.155 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 87 4.182 7.131 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.511 5.765 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.558 6.131 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 87 0.908 7.743 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.907 9.905 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.100 8.792 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.075 9.065 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.040 9.018 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.001 8.120 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.255 7.263 -5.175 1.00 0.00 H new ATOM 1311 N SER A 88 5.246 4.987 -4.976 1.00 0.00 N ATOM 1312 CA SER A 88 5.948 3.731 -5.179 1.00 0.00 C ATOM 1313 C SER A 88 5.829 2.857 -3.928 1.00 0.00 C ATOM 1314 O SER A 88 6.541 3.069 -2.948 1.00 0.00 O ATOM 1315 CB SER A 88 7.420 3.971 -5.519 1.00 0.00 C ATOM 1316 OG SER A 88 7.613 4.217 -6.910 1.00 0.00 O ATOM 0 H SER A 88 5.760 5.680 -4.432 1.00 0.00 H new ATOM 0 HA SER A 88 5.488 3.215 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.791 4.821 -4.946 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.008 3.103 -5.219 1.00 0.00 H new ATOM 0 HG SER A 88 8.502 3.902 -7.178 1.00 0.00 H new ATOM 1322 N VAL A 89 4.923 1.893 -4.003 1.00 0.00 N ATOM 1323 CA VAL A 89 4.701 0.986 -2.890 1.00 0.00 C ATOM 1324 C VAL A 89 5.062 -0.438 -3.318 1.00 0.00 C ATOM 1325 O VAL A 89 5.024 -0.762 -4.504 1.00 0.00 O ATOM 1326 CB VAL A 89 3.261 1.113 -2.391 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.147 2.192 -1.312 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.301 1.392 -3.549 1.00 0.00 C ATOM 0 H VAL A 89 4.334 1.720 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 89 5.346 1.246 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 89 2.977 0.161 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.113 2.261 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.787 1.932 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.460 3.152 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.284 1.478 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.584 2.323 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.350 0.574 -4.268 1.00 0.00 H new ATOM 1338 N TYR A 90 5.406 -1.250 -2.329 1.00 0.00 N ATOM 1339 CA TYR A 90 5.774 -2.631 -2.588 1.00 0.00 C ATOM 1340 C TYR A 90 4.693 -3.590 -2.083 1.00 0.00 C ATOM 1341 O TYR A 90 4.401 -3.628 -0.889 1.00 0.00 O ATOM 1342 CB TYR A 90 7.064 -2.878 -1.804 1.00 0.00 C ATOM 1343 CG TYR A 90 7.286 -4.341 -1.415 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.449 -5.299 -2.395 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.323 -4.703 -0.084 1.00 0.00 C ATOM 1346 CE1 TYR A 90 7.657 -6.676 -2.029 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.532 -6.080 0.282 1.00 0.00 C ATOM 1348 CZ TYR A 90 7.688 -6.998 -0.708 1.00 0.00 C ATOM 1349 OH TYR A 90 7.885 -8.299 -0.362 1.00 0.00 O ATOM 0 H TYR A 90 5.438 -0.977 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 90 5.896 -2.802 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.910 -2.539 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.049 -2.270 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.421 -5.016 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.195 -3.954 0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.785 -7.436 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.564 -6.377 1.320 1.00 0.00 H new ATOM 0 HH TYR A 90 7.885 -8.381 0.615 1.00 0.00 H new ATOM 1359 N SER A 91 4.130 -4.341 -3.018 1.00 0.00 N ATOM 1360 CA SER A 91 3.089 -5.297 -2.683 1.00 0.00 C ATOM 1361 C SER A 91 3.711 -6.658 -2.363 1.00 0.00 C ATOM 1362 O SER A 91 4.837 -6.940 -2.768 1.00 0.00 O ATOM 1363 CB SER A 91 2.077 -5.431 -3.823 1.00 0.00 C ATOM 1364 OG SER A 91 1.130 -6.468 -3.577 1.00 0.00 O ATOM 0 H SER A 91 4.375 -4.307 -4.007 1.00 0.00 H new ATOM 0 HA SER A 91 2.559 -4.931 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.552 -4.485 -3.955 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.605 -5.636 -4.754 1.00 0.00 H new ATOM 0 HG SER A 91 0.501 -6.521 -4.326 1.00 0.00 H new