USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 968 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 97 TYR OH : rot 80:sc= -0.551 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -2.1 K(o=-2.7,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0885 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 124:sc= -1.49! USER MOD Single : A 26 TYR OH : rot 104:sc= -0.89 USER MOD Single : A 27 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.37) USER MOD Single : A 30 THR OG1 : rot 25:sc= 0.67! USER MOD Single : A 32 LYS NZ :NH3+ -130:sc=-0.00887 (180deg=-0.195) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0.617 (180deg=0.432) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -5.56! K(o=-5.6!,f=-1.2) USER MOD Single : A 71 SER OG : rot 48:sc= 0.0394 USER MOD Single : A 74 SER OG : rot 139:sc=-0.00224! USER MOD Single : A 80 THR OG1 : rot -82:sc= -0.644! USER MOD Single : A 82 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.025) USER MOD Single : A 84 SER OG : rot 46:sc= 0.0528 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -1.33 (180deg=-3.24!) USER MOD Single : A 102 LYS NZ :NH3+ -145:sc= -1.13 (180deg=-4.58!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -80:sc= -0.0442 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.594 1.526 16.980 1.00 0.00 N ATOM 2 CA MET A 1 -2.482 2.065 16.154 1.00 0.00 C ATOM 3 C MET A 1 -1.926 0.999 15.212 1.00 0.00 C ATOM 4 O MET A 1 -2.305 -0.170 15.289 1.00 0.00 O ATOM 5 CB MET A 1 -1.381 2.569 17.087 1.00 0.00 C ATOM 6 CG MET A 1 -1.645 3.957 17.648 1.00 0.00 C ATOM 7 SD MET A 1 -0.908 4.201 19.275 1.00 0.00 S ATOM 8 CE MET A 1 -0.568 5.959 19.234 1.00 0.00 C ATOM 0 H1 MET A 1 -4.464 2.061 16.783 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.744 0.523 16.748 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.353 1.616 17.988 1.00 0.00 H new ATOM 0 HA MET A 1 -2.858 2.883 15.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.268 1.868 17.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.435 2.579 16.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.251 4.704 16.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.721 4.120 17.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.109 6.263 20.175 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.112 6.179 18.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.500 6.507 19.092 1.00 0.00 H new ATOM 20 N LYS A 2 -1.025 1.414 14.327 1.00 0.00 N ATOM 21 CA LYS A 2 -0.413 0.499 13.369 1.00 0.00 C ATOM 22 C LYS A 2 -1.453 -0.078 12.413 1.00 0.00 C ATOM 23 O LYS A 2 -2.117 -1.066 12.723 1.00 0.00 O ATOM 24 CB LYS A 2 0.312 -0.629 14.100 1.00 0.00 C ATOM 25 CG LYS A 2 1.825 -0.545 13.994 1.00 0.00 C ATOM 26 CD LYS A 2 2.382 0.580 14.852 1.00 0.00 C ATOM 27 CE LYS A 2 3.694 0.181 15.508 1.00 0.00 C ATOM 28 NZ LYS A 2 4.625 1.336 15.637 1.00 0.00 N ATOM 0 H LYS A 2 -0.702 2.379 14.253 1.00 0.00 H new ATOM 0 HA LYS A 2 0.310 1.065 12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.028 -0.611 15.152 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.020 -1.585 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.266 -1.493 14.304 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.110 -0.386 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.536 1.466 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.656 0.847 15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.494 -0.236 16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.169 -0.604 14.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.507 1.022 16.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.836 1.719 14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.182 2.075 16.219 1.00 0.00 H new ATOM 42 N ARG A 3 -1.583 0.547 11.246 1.00 0.00 N ATOM 43 CA ARG A 3 -2.538 0.099 10.237 1.00 0.00 C ATOM 44 C ARG A 3 -1.984 0.334 8.835 1.00 0.00 C ATOM 45 O ARG A 3 -1.485 1.416 8.531 1.00 0.00 O ATOM 46 CB ARG A 3 -3.870 0.837 10.397 1.00 0.00 C ATOM 47 CG ARG A 3 -4.317 0.989 11.843 1.00 0.00 C ATOM 48 CD ARG A 3 -3.760 2.258 12.470 1.00 0.00 C ATOM 49 NE ARG A 3 -4.789 3.015 13.180 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.654 3.833 12.583 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.621 4.001 11.267 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.555 4.485 13.306 1.00 0.00 N ATOM 0 H ARG A 3 -1.038 1.366 10.976 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.705 -0.969 10.377 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.783 1.826 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.641 0.301 9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.406 1.008 11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.989 0.124 12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.958 1.999 13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.321 2.884 11.693 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.848 2.911 14.193 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.930 3.502 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.286 4.629 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.585 4.360 14.318 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.218 5.112 12.850 1.00 0.00 H new ATOM 66 N VAL A 4 -2.075 -0.683 7.981 1.00 0.00 N ATOM 67 CA VAL A 4 -1.580 -0.569 6.615 1.00 0.00 C ATOM 68 C VAL A 4 -2.689 -0.882 5.613 1.00 0.00 C ATOM 69 O VAL A 4 -3.555 -1.712 5.877 1.00 0.00 O ATOM 70 CB VAL A 4 -0.379 -1.509 6.364 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.322 -1.145 5.063 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.601 -1.461 7.532 1.00 0.00 C ATOM 0 H VAL A 4 -2.484 -1.589 8.210 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.247 0.460 6.478 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.757 -2.528 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.165 -1.818 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.379 -1.238 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.683 -0.118 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.438 -2.130 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.972 -0.443 7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.095 -1.775 8.445 1.00 0.00 H new ATOM 82 N LEU A 5 -2.668 -0.204 4.470 1.00 0.00 N ATOM 83 CA LEU A 5 -3.686 -0.411 3.447 1.00 0.00 C ATOM 84 C LEU A 5 -3.150 -1.248 2.292 1.00 0.00 C ATOM 85 O LEU A 5 -2.061 -0.993 1.777 1.00 0.00 O ATOM 86 CB LEU A 5 -4.192 0.934 2.924 1.00 0.00 C ATOM 87 CG LEU A 5 -5.355 0.847 1.933 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.591 0.279 2.610 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.651 2.216 1.339 1.00 0.00 C ATOM 0 H LEU A 5 -1.961 0.490 4.230 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.513 -0.954 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.503 1.543 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.364 1.455 2.444 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.069 0.175 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.408 0.225 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.373 -0.720 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.881 0.924 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.481 2.136 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.917 2.909 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.768 2.585 0.817 1.00 0.00 H new ATOM 101 N VAL A 6 -3.928 -2.248 1.890 1.00 0.00 N ATOM 102 CA VAL A 6 -3.540 -3.130 0.793 1.00 0.00 C ATOM 103 C VAL A 6 -4.460 -2.952 -0.412 1.00 0.00 C ATOM 104 O VAL A 6 -5.484 -3.625 -0.528 1.00 0.00 O ATOM 105 CB VAL A 6 -3.567 -4.607 1.224 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.024 -5.499 0.118 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.782 -4.801 2.513 1.00 0.00 C ATOM 0 H VAL A 6 -4.832 -2.469 2.308 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.522 -2.855 0.515 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.602 -4.893 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.052 -6.539 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.635 -5.382 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.995 -5.216 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.812 -5.851 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.747 -4.497 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.224 -4.194 3.303 1.00 0.00 H new ATOM 117 N VAL A 7 -4.086 -2.048 -1.310 1.00 0.00 N ATOM 118 CA VAL A 7 -4.879 -1.790 -2.507 1.00 0.00 C ATOM 119 C VAL A 7 -4.597 -2.833 -3.585 1.00 0.00 C ATOM 120 O VAL A 7 -3.555 -2.798 -4.237 1.00 0.00 O ATOM 121 CB VAL A 7 -4.591 -0.386 -3.076 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.501 -0.083 -4.257 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.745 0.670 -1.991 1.00 0.00 C ATOM 0 H VAL A 7 -3.241 -1.482 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.928 -1.848 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.561 -0.366 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.279 0.913 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.335 -0.820 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.541 -0.124 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.538 1.655 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.763 0.647 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.044 0.465 -1.182 1.00 0.00 H new ATOM 133 N ASP A 8 -5.532 -3.762 -3.766 1.00 0.00 N ATOM 134 CA ASP A 8 -5.378 -4.814 -4.766 1.00 0.00 C ATOM 135 C ASP A 8 -6.668 -5.007 -5.558 1.00 0.00 C ATOM 136 O ASP A 8 -7.758 -5.059 -4.989 1.00 0.00 O ATOM 137 CB ASP A 8 -4.966 -6.126 -4.091 1.00 0.00 C ATOM 138 CG ASP A 8 -4.844 -7.275 -5.076 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.496 -7.017 -6.248 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.096 -8.431 -4.675 1.00 0.00 O ATOM 0 H ASP A 8 -6.402 -3.808 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.595 -4.513 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.012 -5.985 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.699 -6.383 -3.327 1.00 0.00 H new ATOM 145 N ASP A 9 -6.534 -5.106 -6.879 1.00 0.00 N ATOM 146 CA ASP A 9 -7.684 -5.286 -7.759 1.00 0.00 C ATOM 147 C ASP A 9 -8.248 -6.702 -7.657 1.00 0.00 C ATOM 148 O ASP A 9 -9.464 -6.894 -7.649 1.00 0.00 O ATOM 149 CB ASP A 9 -7.296 -4.972 -9.206 1.00 0.00 C ATOM 150 CG ASP A 9 -8.450 -5.156 -10.173 1.00 0.00 C ATOM 151 OD1 ASP A 9 -8.974 -6.286 -10.263 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.830 -4.171 -10.839 1.00 0.00 O ATOM 0 H ASP A 9 -5.637 -5.064 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.463 -4.593 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.936 -3.945 -9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.470 -5.617 -9.505 1.00 0.00 H new ATOM 157 N GLU A 10 -7.363 -7.691 -7.582 1.00 0.00 N ATOM 158 CA GLU A 10 -7.790 -9.084 -7.481 1.00 0.00 C ATOM 159 C GLU A 10 -6.590 -10.021 -7.377 1.00 0.00 C ATOM 160 O GLU A 10 -5.743 -10.063 -8.267 1.00 0.00 O ATOM 161 CB GLU A 10 -8.646 -9.465 -8.692 1.00 0.00 C ATOM 162 CG GLU A 10 -9.979 -10.094 -8.321 1.00 0.00 C ATOM 163 CD GLU A 10 -11.125 -9.578 -9.169 1.00 0.00 C ATOM 164 OE1 GLU A 10 -10.937 -9.433 -10.395 1.00 0.00 O ATOM 165 OE2 GLU A 10 -12.210 -9.319 -8.607 1.00 0.00 O ATOM 0 H GLU A 10 -6.352 -7.556 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.385 -9.188 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.829 -8.574 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.087 -10.161 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.909 -11.176 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.191 -9.894 -7.271 1.00 0.00 H new ATOM 172 N GLU A 11 -6.526 -10.775 -6.282 1.00 0.00 N ATOM 173 CA GLU A 11 -5.430 -11.713 -6.063 1.00 0.00 C ATOM 174 C GLU A 11 -5.593 -12.444 -4.734 1.00 0.00 C ATOM 175 O GLU A 11 -6.561 -12.224 -4.006 1.00 0.00 O ATOM 176 CB GLU A 11 -4.089 -10.979 -6.090 1.00 0.00 C ATOM 177 CG GLU A 11 -2.967 -11.782 -6.729 1.00 0.00 C ATOM 178 CD GLU A 11 -1.944 -10.903 -7.422 1.00 0.00 C ATOM 179 OE1 GLU A 11 -1.405 -9.989 -6.764 1.00 0.00 O ATOM 180 OE2 GLU A 11 -1.684 -11.128 -8.622 1.00 0.00 O ATOM 0 H GLU A 11 -7.219 -10.754 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.452 -12.449 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.208 -10.042 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.805 -10.722 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.470 -12.378 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.390 -12.480 -7.451 1.00 0.00 H new ATOM 187 N SER A 12 -4.635 -13.313 -4.422 1.00 0.00 N ATOM 188 CA SER A 12 -4.669 -14.076 -3.180 1.00 0.00 C ATOM 189 C SER A 12 -3.847 -13.391 -2.091 1.00 0.00 C ATOM 190 O SER A 12 -3.458 -14.019 -1.107 1.00 0.00 O ATOM 191 CB SER A 12 -4.142 -15.493 -3.415 1.00 0.00 C ATOM 192 OG SER A 12 -4.456 -15.943 -4.721 1.00 0.00 O ATOM 0 H SER A 12 -3.826 -13.505 -5.013 1.00 0.00 H new ATOM 0 HA SER A 12 -5.705 -14.128 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.062 -15.511 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.574 -16.172 -2.679 1.00 0.00 H new ATOM 0 HG SER A 12 -4.107 -16.850 -4.847 1.00 0.00 H new ATOM 198 N ILE A 13 -3.586 -12.099 -2.271 1.00 0.00 N ATOM 199 CA ILE A 13 -2.812 -11.331 -1.304 1.00 0.00 C ATOM 200 C ILE A 13 -3.689 -10.900 -0.130 1.00 0.00 C ATOM 201 O ILE A 13 -3.417 -11.242 1.020 1.00 0.00 O ATOM 202 CB ILE A 13 -2.168 -10.089 -1.970 1.00 0.00 C ATOM 203 CG1 ILE A 13 -0.942 -10.505 -2.786 1.00 0.00 C ATOM 204 CG2 ILE A 13 -1.779 -9.042 -0.933 1.00 0.00 C ATOM 205 CD1 ILE A 13 -1.281 -11.280 -4.041 1.00 0.00 C ATOM 0 H ILE A 13 -3.900 -11.562 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.016 -11.974 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.907 -9.643 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.380 -9.613 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.289 -11.113 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.330 -8.184 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.667 -8.721 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.061 -9.471 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.363 -11.540 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.816 -12.191 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.909 -10.668 -4.688 1.00 0.00 H new ATOM 217 N THR A 14 -4.743 -10.145 -0.431 1.00 0.00 N ATOM 218 CA THR A 14 -5.666 -9.658 0.593 1.00 0.00 C ATOM 219 C THR A 14 -6.062 -10.763 1.572 1.00 0.00 C ATOM 220 O THR A 14 -6.408 -10.489 2.721 1.00 0.00 O ATOM 221 CB THR A 14 -6.917 -9.073 -0.064 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.528 -10.025 -0.916 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.637 -7.834 -0.886 1.00 0.00 C ATOM 0 H THR A 14 -4.980 -9.856 -1.380 1.00 0.00 H new ATOM 0 HA THR A 14 -5.151 -8.881 1.158 1.00 0.00 H new ATOM 0 HB THR A 14 -7.576 -8.801 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.327 -9.632 -1.325 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.566 -7.470 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.211 -7.061 -0.246 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.932 -8.076 -1.681 1.00 0.00 H new ATOM 231 N SER A 15 -6.018 -12.010 1.111 1.00 0.00 N ATOM 232 CA SER A 15 -6.379 -13.147 1.950 1.00 0.00 C ATOM 233 C SER A 15 -5.262 -13.492 2.934 1.00 0.00 C ATOM 234 O SER A 15 -5.433 -13.374 4.147 1.00 0.00 O ATOM 235 CB SER A 15 -6.697 -14.365 1.080 1.00 0.00 C ATOM 236 OG SER A 15 -7.278 -15.404 1.850 1.00 0.00 O ATOM 0 H SER A 15 -5.736 -12.258 0.162 1.00 0.00 H new ATOM 0 HA SER A 15 -7.263 -12.869 2.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.379 -14.076 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.784 -14.726 0.606 1.00 0.00 H new ATOM 0 HG SER A 15 -7.473 -16.170 1.271 1.00 0.00 H new ATOM 242 N SER A 16 -4.123 -13.928 2.404 1.00 0.00 N ATOM 243 CA SER A 16 -2.982 -14.301 3.237 1.00 0.00 C ATOM 244 C SER A 16 -2.302 -13.072 3.832 1.00 0.00 C ATOM 245 O SER A 16 -2.106 -12.987 5.045 1.00 0.00 O ATOM 246 CB SER A 16 -1.972 -15.107 2.418 1.00 0.00 C ATOM 247 OG SER A 16 -2.610 -16.150 1.702 1.00 0.00 O ATOM 0 H SER A 16 -3.965 -14.032 1.402 1.00 0.00 H new ATOM 0 HA SER A 16 -3.355 -14.914 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.455 -14.447 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.215 -15.527 3.080 1.00 0.00 H new ATOM 0 HG SER A 16 -1.942 -16.648 1.186 1.00 0.00 H new ATOM 253 N LEU A 17 -1.936 -12.126 2.972 1.00 0.00 N ATOM 254 CA LEU A 17 -1.268 -10.901 3.409 1.00 0.00 C ATOM 255 C LEU A 17 -1.976 -10.284 4.613 1.00 0.00 C ATOM 256 O LEU A 17 -1.354 -10.031 5.645 1.00 0.00 O ATOM 257 CB LEU A 17 -1.210 -9.896 2.253 1.00 0.00 C ATOM 258 CG LEU A 17 -0.533 -8.556 2.562 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.554 -7.549 3.066 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.597 -8.733 3.568 1.00 0.00 C ATOM 0 H LEU A 17 -2.091 -12.183 1.965 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.253 -11.156 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.686 -10.362 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.228 -9.698 1.919 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.099 -8.173 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.057 -6.603 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.318 -7.393 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.021 -7.928 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.060 -7.767 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.198 -9.144 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.343 -9.415 3.161 1.00 0.00 H new ATOM 272 N SER A 18 -3.277 -10.049 4.480 1.00 0.00 N ATOM 273 CA SER A 18 -4.060 -9.467 5.566 1.00 0.00 C ATOM 274 C SER A 18 -3.870 -10.263 6.854 1.00 0.00 C ATOM 275 O SER A 18 -3.691 -9.692 7.930 1.00 0.00 O ATOM 276 CB SER A 18 -5.543 -9.424 5.191 1.00 0.00 C ATOM 277 OG SER A 18 -5.773 -8.524 4.121 1.00 0.00 O ATOM 0 H SER A 18 -3.811 -10.251 3.635 1.00 0.00 H new ATOM 0 HA SER A 18 -3.708 -8.449 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.879 -10.422 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.132 -9.122 6.057 1.00 0.00 H new ATOM 0 HG SER A 18 -6.214 -8.997 3.385 1.00 0.00 H new ATOM 283 N ALA A 19 -3.898 -11.587 6.734 1.00 0.00 N ATOM 284 CA ALA A 19 -3.718 -12.462 7.885 1.00 0.00 C ATOM 285 C ALA A 19 -2.320 -12.301 8.469 1.00 0.00 C ATOM 286 O ALA A 19 -2.141 -12.270 9.687 1.00 0.00 O ATOM 287 CB ALA A 19 -3.966 -13.911 7.494 1.00 0.00 C ATOM 0 H ALA A 19 -4.044 -12.076 5.851 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.443 -12.179 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.827 -14.552 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.985 -14.018 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.263 -14.203 6.714 1.00 0.00 H new ATOM 293 N ILE A 20 -1.329 -12.191 7.587 1.00 0.00 N ATOM 294 CA ILE A 20 0.057 -12.024 8.005 1.00 0.00 C ATOM 295 C ILE A 20 0.201 -10.806 8.909 1.00 0.00 C ATOM 296 O ILE A 20 0.487 -10.937 10.097 1.00 0.00 O ATOM 297 CB ILE A 20 0.994 -11.882 6.784 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.157 -13.229 6.083 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.353 -11.334 7.198 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.978 -13.151 4.813 1.00 0.00 C ATOM 0 H ILE A 20 -1.463 -12.215 6.576 1.00 0.00 H new ATOM 0 HA ILE A 20 0.345 -12.917 8.561 1.00 0.00 H new ATOM 0 HB ILE A 20 0.541 -11.175 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.629 -13.932 6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.171 -13.628 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.992 -11.244 6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.226 -10.353 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.815 -12.012 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.054 -14.143 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.496 -12.472 4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.976 -12.782 5.047 1.00 0.00 H new ATOM 312 N LEU A 21 -0.007 -9.622 8.343 1.00 0.00 N ATOM 313 CA LEU A 21 0.086 -8.385 9.109 1.00 0.00 C ATOM 314 C LEU A 21 -0.688 -8.507 10.415 1.00 0.00 C ATOM 315 O LEU A 21 -0.302 -7.940 11.438 1.00 0.00 O ATOM 316 CB LEU A 21 -0.460 -7.228 8.285 1.00 0.00 C ATOM 317 CG LEU A 21 0.319 -6.955 7.004 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.625 -6.880 5.819 1.00 0.00 C ATOM 319 CD2 LEU A 21 1.130 -5.677 7.139 1.00 0.00 C ATOM 0 H LEU A 21 -0.241 -9.493 7.359 1.00 0.00 H new ATOM 0 HA LEU A 21 1.133 -8.196 9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.499 -7.437 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.458 -6.327 8.898 1.00 0.00 H new ATOM 0 HG LEU A 21 1.013 -7.778 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.054 -6.685 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.157 -7.826 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.343 -6.075 5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.681 -5.496 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.460 -4.839 7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.832 -5.777 7.966 1.00 0.00 H new ATOM 331 N GLU A 22 -1.780 -9.264 10.369 1.00 0.00 N ATOM 332 CA GLU A 22 -2.609 -9.482 11.546 1.00 0.00 C ATOM 333 C GLU A 22 -1.823 -10.215 12.627 1.00 0.00 C ATOM 334 O GLU A 22 -2.067 -10.027 13.819 1.00 0.00 O ATOM 335 CB GLU A 22 -3.862 -10.271 11.176 1.00 0.00 C ATOM 336 CG GLU A 22 -5.142 -9.677 11.741 1.00 0.00 C ATOM 337 CD GLU A 22 -6.349 -9.953 10.867 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.436 -9.361 9.769 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.209 -10.760 11.278 1.00 0.00 O ATOM 0 H GLU A 22 -2.110 -9.737 9.528 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.911 -8.511 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.943 -10.321 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.756 -11.295 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.318 -10.084 12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.019 -8.600 11.854 1.00 0.00 H new ATOM 346 N GLU A 23 -0.869 -11.043 12.205 1.00 0.00 N ATOM 347 CA GLU A 23 -0.042 -11.789 13.137 1.00 0.00 C ATOM 348 C GLU A 23 1.040 -10.881 13.712 1.00 0.00 C ATOM 349 O GLU A 23 1.388 -10.979 14.889 1.00 0.00 O ATOM 350 CB GLU A 23 0.586 -12.994 12.430 1.00 0.00 C ATOM 351 CG GLU A 23 1.731 -13.630 13.200 1.00 0.00 C ATOM 352 CD GLU A 23 1.708 -15.144 13.140 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.664 -15.693 12.019 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.734 -15.782 14.213 1.00 0.00 O ATOM 0 H GLU A 23 -0.654 -11.211 11.222 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.662 -12.153 13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.185 -13.745 12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.949 -12.680 11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.678 -13.269 12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.684 -13.311 14.241 1.00 0.00 H new ATOM 361 N GLU A 24 1.562 -9.992 12.872 1.00 0.00 N ATOM 362 CA GLU A 24 2.597 -9.060 13.295 1.00 0.00 C ATOM 363 C GLU A 24 2.032 -8.005 14.243 1.00 0.00 C ATOM 364 O GLU A 24 2.771 -7.391 15.013 1.00 0.00 O ATOM 365 CB GLU A 24 3.235 -8.384 12.085 1.00 0.00 C ATOM 366 CG GLU A 24 4.549 -9.017 11.658 1.00 0.00 C ATOM 367 CD GLU A 24 5.687 -8.017 11.590 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.622 -6.994 12.304 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.643 -8.257 10.822 1.00 0.00 O ATOM 0 H GLU A 24 1.284 -9.899 11.895 1.00 0.00 H new ATOM 0 HA GLU A 24 3.360 -9.628 13.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.536 -8.419 11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.406 -7.332 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.810 -9.810 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.422 -9.483 10.681 1.00 0.00 H new ATOM 376 N GLY A 25 0.721 -7.795 14.177 1.00 0.00 N ATOM 377 CA GLY A 25 0.084 -6.813 15.028 1.00 0.00 C ATOM 378 C GLY A 25 -0.216 -5.521 14.294 1.00 0.00 C ATOM 379 O GLY A 25 0.257 -4.454 14.684 1.00 0.00 O ATOM 0 H GLY A 25 0.089 -8.290 13.547 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.843 -7.226 15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.729 -6.602 15.881 1.00 0.00 H new ATOM 383 N TYR A 26 -0.998 -5.620 13.224 1.00 0.00 N ATOM 384 CA TYR A 26 -1.358 -4.452 12.429 1.00 0.00 C ATOM 385 C TYR A 26 -2.863 -4.389 12.196 1.00 0.00 C ATOM 386 O TYR A 26 -3.617 -5.227 12.691 1.00 0.00 O ATOM 387 CB TYR A 26 -0.630 -4.486 11.083 1.00 0.00 C ATOM 388 CG TYR A 26 0.859 -4.246 11.188 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.356 -3.029 11.638 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.767 -5.236 10.836 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.716 -2.807 11.732 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.128 -5.022 10.929 1.00 0.00 C ATOM 393 CZ TYR A 26 3.598 -3.805 11.377 1.00 0.00 C ATOM 394 OH TYR A 26 4.954 -3.587 11.471 1.00 0.00 O ATOM 0 H TYR A 26 -1.395 -6.497 12.888 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.057 -3.563 12.983 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.800 -5.455 10.613 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.065 -3.732 10.426 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.668 -2.245 11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.402 -6.190 10.484 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.087 -1.855 12.082 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.821 -5.803 10.653 1.00 0.00 H new ATOM 0 HH TYR A 26 5.306 -4.049 12.261 1.00 0.00 H new ATOM 404 N HIS A 27 -3.290 -3.389 11.432 1.00 0.00 N ATOM 405 CA HIS A 27 -4.702 -3.207 11.117 1.00 0.00 C ATOM 406 C HIS A 27 -4.891 -2.999 9.618 1.00 0.00 C ATOM 407 O HIS A 27 -5.108 -1.878 9.156 1.00 0.00 O ATOM 408 CB HIS A 27 -5.267 -2.015 11.893 1.00 0.00 C ATOM 409 CG HIS A 27 -6.599 -2.282 12.521 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.444 -3.285 12.096 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.232 -1.671 13.550 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.540 -3.278 12.835 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.436 -2.308 13.724 1.00 0.00 N ATOM 0 H HIS A 27 -2.675 -2.689 11.018 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.243 -4.106 11.413 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.559 -1.731 12.671 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.358 -1.164 11.218 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.859 -0.837 14.127 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.378 -3.951 12.729 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.136 -2.070 14.426 1.00 0.00 H new ATOM 422 N PRO A 28 -4.800 -4.085 8.837 1.00 0.00 N ATOM 423 CA PRO A 28 -4.950 -4.030 7.382 1.00 0.00 C ATOM 424 C PRO A 28 -6.371 -3.677 6.951 1.00 0.00 C ATOM 425 O PRO A 28 -7.346 -4.172 7.515 1.00 0.00 O ATOM 426 CB PRO A 28 -4.582 -5.441 6.911 1.00 0.00 C ATOM 427 CG PRO A 28 -3.988 -6.133 8.093 1.00 0.00 C ATOM 428 CD PRO A 28 -4.534 -5.446 9.312 1.00 0.00 C ATOM 0 HA PRO A 28 -4.321 -3.252 6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.462 -5.973 6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.872 -5.403 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.250 -7.191 8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.900 -6.074 8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.440 -5.930 9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.818 -5.453 10.133 1.00 0.00 H new ATOM 436 N ASP A 29 -6.476 -2.809 5.947 1.00 0.00 N ATOM 437 CA ASP A 29 -7.784 -2.388 5.448 1.00 0.00 C ATOM 438 C ASP A 29 -7.986 -2.710 3.976 1.00 0.00 C ATOM 439 O ASP A 29 -8.973 -2.283 3.379 1.00 0.00 O ATOM 440 CB ASP A 29 -8.009 -0.899 5.699 1.00 0.00 C ATOM 441 CG ASP A 29 -9.473 -0.515 5.598 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.236 -0.827 6.536 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.857 0.098 4.579 1.00 0.00 O ATOM 0 H ASP A 29 -5.681 -2.387 5.467 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.525 -2.961 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.634 -0.639 6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.433 -0.320 4.978 1.00 0.00 H new ATOM 448 N THR A 30 -7.044 -3.452 3.413 1.00 0.00 N ATOM 449 CA THR A 30 -7.058 -3.864 1.997 1.00 0.00 C ATOM 450 C THR A 30 -8.188 -3.240 1.179 1.00 0.00 C ATOM 451 O THR A 30 -9.368 -3.412 1.484 1.00 0.00 O ATOM 452 CB THR A 30 -7.141 -5.382 1.887 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.456 -5.834 2.161 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.200 -6.107 2.823 1.00 0.00 C ATOM 0 H THR A 30 -6.232 -3.795 3.926 1.00 0.00 H new ATOM 0 HA THR A 30 -6.122 -3.496 1.576 1.00 0.00 H new ATOM 0 HB THR A 30 -6.850 -5.611 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.094 -5.113 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.313 -7.183 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.172 -5.820 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.436 -5.841 3.854 1.00 0.00 H new ATOM 462 N ALA A 31 -7.806 -2.539 0.120 1.00 0.00 N ATOM 463 CA ALA A 31 -8.769 -1.900 -0.768 1.00 0.00 C ATOM 464 C ALA A 31 -8.966 -2.723 -2.039 1.00 0.00 C ATOM 465 O ALA A 31 -8.625 -3.906 -2.081 1.00 0.00 O ATOM 466 CB ALA A 31 -8.314 -0.488 -1.109 1.00 0.00 C ATOM 0 H ALA A 31 -6.832 -2.398 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.727 -1.843 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.042 -0.022 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.230 0.098 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.344 -0.528 -1.605 1.00 0.00 H new ATOM 472 N LYS A 32 -9.522 -2.096 -3.071 1.00 0.00 N ATOM 473 CA LYS A 32 -9.769 -2.768 -4.336 1.00 0.00 C ATOM 474 C LYS A 32 -8.965 -2.124 -5.463 1.00 0.00 C ATOM 475 O LYS A 32 -8.452 -2.813 -6.341 1.00 0.00 O ATOM 476 CB LYS A 32 -11.268 -2.731 -4.649 1.00 0.00 C ATOM 477 CG LYS A 32 -11.592 -2.915 -6.118 1.00 0.00 C ATOM 478 CD LYS A 32 -13.085 -2.795 -6.385 1.00 0.00 C ATOM 479 CE LYS A 32 -13.430 -1.462 -7.029 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.749 -0.947 -6.567 1.00 0.00 N ATOM 0 H LYS A 32 -9.810 -1.118 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.447 -3.806 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.768 -3.511 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.676 -1.778 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.056 -2.169 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.241 -3.893 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.406 -3.609 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.633 -2.901 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.654 -0.734 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.444 -1.575 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.325 -0.680 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.240 -1.687 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.604 -0.114 -5.961 1.00 0.00 H new ATOM 494 N THR A 33 -8.857 -0.803 -5.432 1.00 0.00 N ATOM 495 CA THR A 33 -8.113 -0.076 -6.453 1.00 0.00 C ATOM 496 C THR A 33 -7.753 1.319 -5.960 1.00 0.00 C ATOM 497 O THR A 33 -7.976 1.650 -4.797 1.00 0.00 O ATOM 498 CB THR A 33 -8.936 0.019 -7.741 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.271 0.395 -7.457 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.980 -1.276 -8.522 1.00 0.00 C ATOM 0 H THR A 33 -9.274 -0.213 -4.712 1.00 0.00 H new ATOM 0 HA THR A 33 -7.192 -0.620 -6.661 1.00 0.00 H new ATOM 0 HB THR A 33 -8.434 0.773 -8.348 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.780 0.452 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.579 -1.138 -9.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.967 -1.567 -8.801 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.425 -2.057 -7.906 1.00 0.00 H new ATOM 508 N LEU A 34 -7.198 2.135 -6.847 1.00 0.00 N ATOM 509 CA LEU A 34 -6.816 3.493 -6.491 1.00 0.00 C ATOM 510 C LEU A 34 -8.052 4.332 -6.188 1.00 0.00 C ATOM 511 O LEU A 34 -8.097 5.048 -5.188 1.00 0.00 O ATOM 512 CB LEU A 34 -6.001 4.128 -7.618 1.00 0.00 C ATOM 513 CG LEU A 34 -4.832 3.277 -8.119 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.336 3.783 -9.465 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.707 3.270 -7.095 1.00 0.00 C ATOM 0 H LEU A 34 -7.003 1.880 -7.815 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.197 3.456 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.666 4.337 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.613 5.086 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.181 2.253 -8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.505 3.164 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.145 3.733 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.002 4.816 -9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.882 2.661 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.359 4.290 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.072 2.854 -6.156 1.00 0.00 H new ATOM 527 N ARG A 35 -9.060 4.227 -7.047 1.00 0.00 N ATOM 528 CA ARG A 35 -10.300 4.965 -6.853 1.00 0.00 C ATOM 529 C ARG A 35 -10.974 4.518 -5.562 1.00 0.00 C ATOM 530 O ARG A 35 -11.412 5.339 -4.754 1.00 0.00 O ATOM 531 CB ARG A 35 -11.241 4.752 -8.040 1.00 0.00 C ATOM 532 CG ARG A 35 -10.610 5.076 -9.384 1.00 0.00 C ATOM 533 CD ARG A 35 -11.142 4.170 -10.483 1.00 0.00 C ATOM 534 NE ARG A 35 -10.788 4.660 -11.813 1.00 0.00 N ATOM 535 CZ ARG A 35 -9.585 4.511 -12.364 1.00 0.00 C ATOM 536 NH1 ARG A 35 -8.619 3.887 -11.703 1.00 0.00 N ATOM 537 NH2 ARG A 35 -9.348 4.988 -13.577 1.00 0.00 N ATOM 0 H ARG A 35 -9.042 3.640 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.067 6.028 -6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.575 3.715 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.127 5.372 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.811 6.116 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.528 4.968 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.744 3.164 -10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.226 4.097 -10.400 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.505 5.145 -12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.796 3.519 -10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.699 3.775 -12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.087 5.470 -14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.426 4.874 -13.999 1.00 0.00 H new ATOM 551 N GLU A 36 -11.036 3.203 -5.369 1.00 0.00 N ATOM 552 CA GLU A 36 -11.638 2.632 -4.172 1.00 0.00 C ATOM 553 C GLU A 36 -10.767 2.920 -2.953 1.00 0.00 C ATOM 554 O GLU A 36 -11.271 3.093 -1.843 1.00 0.00 O ATOM 555 CB GLU A 36 -11.827 1.122 -4.341 1.00 0.00 C ATOM 556 CG GLU A 36 -12.935 0.548 -3.473 1.00 0.00 C ATOM 557 CD GLU A 36 -12.405 -0.169 -2.248 1.00 0.00 C ATOM 558 OE1 GLU A 36 -11.921 0.516 -1.323 1.00 0.00 O ATOM 559 OE2 GLU A 36 -12.474 -1.416 -2.212 1.00 0.00 O ATOM 0 H GLU A 36 -10.675 2.514 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.615 3.092 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.047 0.906 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.891 0.618 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.599 1.353 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.533 -0.145 -4.065 1.00 0.00 H new ATOM 566 N ALA A 37 -9.455 2.978 -3.171 1.00 0.00 N ATOM 567 CA ALA A 37 -8.515 3.252 -2.093 1.00 0.00 C ATOM 568 C ALA A 37 -8.586 4.713 -1.676 1.00 0.00 C ATOM 569 O ALA A 37 -8.336 5.050 -0.520 1.00 0.00 O ATOM 570 CB ALA A 37 -7.099 2.886 -2.515 1.00 0.00 C ATOM 0 H ALA A 37 -9.022 2.839 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.790 2.638 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.410 3.097 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.056 1.825 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.816 3.473 -3.389 1.00 0.00 H new ATOM 576 N GLU A 38 -8.950 5.578 -2.617 1.00 0.00 N ATOM 577 CA GLU A 38 -9.073 6.997 -2.327 1.00 0.00 C ATOM 578 C GLU A 38 -10.271 7.232 -1.423 1.00 0.00 C ATOM 579 O GLU A 38 -10.193 7.981 -0.452 1.00 0.00 O ATOM 580 CB GLU A 38 -9.215 7.803 -3.616 1.00 0.00 C ATOM 581 CG GLU A 38 -7.928 7.901 -4.417 1.00 0.00 C ATOM 582 CD GLU A 38 -8.177 8.162 -5.889 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.181 8.834 -6.211 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.370 7.696 -6.720 1.00 0.00 O ATOM 0 H GLU A 38 -9.163 5.321 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.169 7.330 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.986 7.346 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.558 8.808 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.310 8.701 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.364 6.975 -4.306 1.00 0.00 H new ATOM 591 N LYS A 39 -11.378 6.564 -1.737 1.00 0.00 N ATOM 592 CA LYS A 39 -12.586 6.683 -0.935 1.00 0.00 C ATOM 593 C LYS A 39 -12.301 6.229 0.492 1.00 0.00 C ATOM 594 O LYS A 39 -12.770 6.835 1.455 1.00 0.00 O ATOM 595 CB LYS A 39 -13.715 5.845 -1.542 1.00 0.00 C ATOM 596 CG LYS A 39 -14.980 5.821 -0.699 1.00 0.00 C ATOM 597 CD LYS A 39 -14.992 4.635 0.252 1.00 0.00 C ATOM 598 CE LYS A 39 -16.410 4.182 0.561 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.432 2.887 1.296 1.00 0.00 N ATOM 0 H LYS A 39 -11.461 5.938 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.901 7.726 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.955 6.237 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.362 4.823 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.056 6.747 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.852 5.775 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.433 3.809 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.485 4.905 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.913 4.945 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.970 4.081 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.417 2.613 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.974 2.153 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.920 2.990 2.195 1.00 0.00 H new ATOM 613 N LYS A 40 -11.517 5.160 0.616 1.00 0.00 N ATOM 614 CA LYS A 40 -11.155 4.624 1.920 1.00 0.00 C ATOM 615 C LYS A 40 -10.196 5.566 2.644 1.00 0.00 C ATOM 616 O LYS A 40 -10.376 5.865 3.824 1.00 0.00 O ATOM 617 CB LYS A 40 -10.516 3.244 1.766 1.00 0.00 C ATOM 618 CG LYS A 40 -11.451 2.204 1.167 1.00 0.00 C ATOM 619 CD LYS A 40 -11.891 1.182 2.203 1.00 0.00 C ATOM 620 CE LYS A 40 -11.957 -0.217 1.613 1.00 0.00 C ATOM 621 NZ LYS A 40 -11.686 -1.265 2.636 1.00 0.00 N ATOM 0 H LYS A 40 -11.121 4.650 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.063 4.530 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.631 3.331 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.179 2.898 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.327 2.700 0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.950 1.695 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.196 1.191 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.869 1.459 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.943 -0.381 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.232 -0.304 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.277 -2.103 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.016 -0.897 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.575 -1.528 3.107 1.00 0.00 H new ATOM 635 N ILE A 41 -9.173 6.027 1.929 1.00 0.00 N ATOM 636 CA ILE A 41 -8.183 6.932 2.503 1.00 0.00 C ATOM 637 C ILE A 41 -8.753 8.335 2.701 1.00 0.00 C ATOM 638 O ILE A 41 -8.226 9.120 3.489 1.00 0.00 O ATOM 639 CB ILE A 41 -6.926 7.019 1.614 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.367 5.621 1.345 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.871 7.900 2.266 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.680 5.492 0.003 1.00 0.00 C ATOM 0 H ILE A 41 -9.009 5.788 0.951 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.909 6.522 3.475 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.206 7.469 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.659 5.364 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.180 4.897 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.991 7.950 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.273 8.903 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.592 7.479 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.309 4.475 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.390 5.717 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.845 6.191 -0.047 1.00 0.00 H new ATOM 654 N LYS A 42 -9.827 8.647 1.982 1.00 0.00 N ATOM 655 CA LYS A 42 -10.460 9.957 2.083 1.00 0.00 C ATOM 656 C LYS A 42 -10.898 10.254 3.514 1.00 0.00 C ATOM 657 O LYS A 42 -11.089 11.412 3.886 1.00 0.00 O ATOM 658 CB LYS A 42 -11.659 10.040 1.143 1.00 0.00 C ATOM 659 CG LYS A 42 -11.336 10.676 -0.199 1.00 0.00 C ATOM 660 CD LYS A 42 -12.487 10.518 -1.181 1.00 0.00 C ATOM 661 CE LYS A 42 -12.473 11.610 -2.240 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.041 11.093 -3.567 1.00 0.00 N ATOM 0 H LYS A 42 -10.277 8.011 1.324 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.723 10.706 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.049 9.036 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.450 10.613 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.119 11.735 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.437 10.219 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.424 9.542 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.433 10.546 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.469 12.044 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.803 12.410 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.045 11.869 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.080 10.702 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.695 10.347 -3.879 1.00 0.00 H new ATOM 676 N GLU A 43 -11.058 9.204 4.314 1.00 0.00 N ATOM 677 CA GLU A 43 -11.474 9.358 5.702 1.00 0.00 C ATOM 678 C GLU A 43 -10.504 8.653 6.645 1.00 0.00 C ATOM 679 O GLU A 43 -10.130 9.194 7.685 1.00 0.00 O ATOM 680 CB GLU A 43 -12.886 8.804 5.896 1.00 0.00 C ATOM 681 CG GLU A 43 -13.882 9.300 4.861 1.00 0.00 C ATOM 682 CD GLU A 43 -14.730 8.184 4.284 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.804 7.899 4.853 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.320 7.594 3.261 1.00 0.00 O ATOM 0 H GLU A 43 -10.906 8.238 4.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.472 10.422 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.848 7.715 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.241 9.077 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.532 10.046 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.344 9.797 4.054 1.00 0.00 H new ATOM 691 N LEU A 44 -10.104 7.441 6.275 1.00 0.00 N ATOM 692 CA LEU A 44 -9.181 6.659 7.088 1.00 0.00 C ATOM 693 C LEU A 44 -7.748 7.151 6.916 1.00 0.00 C ATOM 694 O LEU A 44 -7.221 7.186 5.804 1.00 0.00 O ATOM 695 CB LEU A 44 -9.276 5.176 6.716 1.00 0.00 C ATOM 696 CG LEU A 44 -9.773 4.260 7.835 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.816 4.295 9.016 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.174 4.663 8.269 1.00 0.00 C ATOM 0 H LEU A 44 -10.405 6.979 5.417 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.461 6.784 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.943 5.074 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.292 4.833 6.396 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.811 3.239 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.185 3.637 9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.830 3.959 8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.746 5.314 9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.513 4.001 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.161 5.691 8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.854 4.587 7.420 1.00 0.00 H new ATOM 710 N PHE A 45 -7.120 7.526 8.027 1.00 0.00 N ATOM 711 CA PHE A 45 -5.745 8.011 8.000 1.00 0.00 C ATOM 712 C PHE A 45 -4.766 6.844 7.950 1.00 0.00 C ATOM 713 O PHE A 45 -4.269 6.391 8.981 1.00 0.00 O ATOM 714 CB PHE A 45 -5.463 8.878 9.229 1.00 0.00 C ATOM 715 CG PHE A 45 -4.188 9.665 9.127 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.979 9.103 9.504 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.199 10.968 8.653 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.805 9.825 9.410 1.00 0.00 C ATOM 719 CE2 PHE A 45 -3.028 11.694 8.558 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.828 11.122 8.937 1.00 0.00 C ATOM 0 H PHE A 45 -7.541 7.503 8.956 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.613 8.616 7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.295 9.567 9.377 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.417 8.240 10.111 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.954 8.089 9.875 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.133 11.420 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.869 9.375 9.707 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.050 12.708 8.188 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.911 11.688 8.863 1.00 0.00 H new ATOM 730 N PHE A 46 -4.498 6.357 6.743 1.00 0.00 N ATOM 731 CA PHE A 46 -3.584 5.236 6.557 1.00 0.00 C ATOM 732 C PHE A 46 -2.126 5.695 6.588 1.00 0.00 C ATOM 733 O PHE A 46 -1.681 6.423 5.701 1.00 0.00 O ATOM 734 CB PHE A 46 -3.872 4.534 5.229 1.00 0.00 C ATOM 735 CG PHE A 46 -5.139 3.726 5.237 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.208 2.533 5.938 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.257 4.160 4.543 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.371 1.787 5.946 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.422 3.418 4.548 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.479 2.230 5.250 1.00 0.00 C ATOM 0 H PHE A 46 -4.901 6.721 5.879 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.742 4.539 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.933 5.282 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.035 3.879 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.344 2.183 6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.217 5.088 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.414 0.858 6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.287 3.766 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.389 1.648 5.255 1.00 0.00 H new ATOM 750 N PRO A 47 -1.358 5.269 7.608 1.00 0.00 N ATOM 751 CA PRO A 47 0.056 5.636 7.739 1.00 0.00 C ATOM 752 C PRO A 47 0.939 4.889 6.742 1.00 0.00 C ATOM 753 O PRO A 47 2.055 5.311 6.443 1.00 0.00 O ATOM 754 CB PRO A 47 0.394 5.214 9.168 1.00 0.00 C ATOM 755 CG PRO A 47 -0.533 4.085 9.452 1.00 0.00 C ATOM 756 CD PRO A 47 -1.804 4.393 8.708 1.00 0.00 C ATOM 0 HA PRO A 47 0.227 6.694 7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.435 4.904 9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.246 6.035 9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.107 3.138 9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.720 3.994 10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.278 3.487 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.532 4.892 9.348 1.00 0.00 H new ATOM 764 N VAL A 48 0.428 3.774 6.234 1.00 0.00 N ATOM 765 CA VAL A 48 1.159 2.963 5.273 1.00 0.00 C ATOM 766 C VAL A 48 0.222 2.342 4.248 1.00 0.00 C ATOM 767 O VAL A 48 -0.784 1.731 4.602 1.00 0.00 O ATOM 768 CB VAL A 48 1.930 1.841 5.979 1.00 0.00 C ATOM 769 CG1 VAL A 48 3.005 1.266 5.070 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.526 2.366 7.266 1.00 0.00 C ATOM 0 H VAL A 48 -0.494 3.411 6.474 1.00 0.00 H new ATOM 0 HA VAL A 48 1.859 3.625 4.764 1.00 0.00 H new ATOM 0 HB VAL A 48 1.239 1.032 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.538 0.472 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.542 0.860 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.707 2.053 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.073 1.567 7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.207 3.188 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.728 2.722 7.918 1.00 0.00 H new ATOM 780 N ILE A 49 0.564 2.500 2.979 1.00 0.00 N ATOM 781 CA ILE A 49 -0.231 1.951 1.890 1.00 0.00 C ATOM 782 C ILE A 49 0.580 0.924 1.111 1.00 0.00 C ATOM 783 O ILE A 49 1.811 0.947 1.137 1.00 0.00 O ATOM 784 CB ILE A 49 -0.708 3.050 0.917 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.101 4.316 1.681 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.874 2.547 0.080 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.219 4.099 2.676 1.00 0.00 C ATOM 0 H ILE A 49 1.394 3.009 2.675 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.106 1.479 2.338 1.00 0.00 H new ATOM 0 HB ILE A 49 0.116 3.298 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.227 4.699 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.404 5.082 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.199 3.334 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.560 1.676 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.700 2.271 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.445 5.039 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.108 3.745 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.912 3.357 3.413 1.00 0.00 H new ATOM 799 N VAL A 50 -0.109 0.029 0.416 1.00 0.00 N ATOM 800 CA VAL A 50 0.557 -0.998 -0.372 1.00 0.00 C ATOM 801 C VAL A 50 -0.280 -1.375 -1.584 1.00 0.00 C ATOM 802 O VAL A 50 -1.263 -2.108 -1.475 1.00 0.00 O ATOM 803 CB VAL A 50 0.849 -2.256 0.469 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.530 -3.329 -0.372 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.702 -1.890 1.673 1.00 0.00 C ATOM 0 H VAL A 50 -1.128 -0.006 0.382 1.00 0.00 H new ATOM 0 HA VAL A 50 1.507 -0.582 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.098 -2.664 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.725 -4.206 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.881 -3.607 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.472 -2.943 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.903 -2.785 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.644 -1.459 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.171 -1.163 2.288 1.00 0.00 H new ATOM 815 N LEU A 51 0.116 -0.855 -2.736 1.00 0.00 N ATOM 816 CA LEU A 51 -0.594 -1.118 -3.979 1.00 0.00 C ATOM 817 C LEU A 51 -0.245 -2.493 -4.536 1.00 0.00 C ATOM 818 O LEU A 51 0.872 -2.982 -4.369 1.00 0.00 O ATOM 819 CB LEU A 51 -0.266 -0.038 -5.012 1.00 0.00 C ATOM 820 CG LEU A 51 -0.958 -0.205 -6.367 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.466 -0.074 -6.214 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.426 0.814 -7.366 1.00 0.00 C ATOM 0 H LEU A 51 0.928 -0.246 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.663 -1.100 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.539 0.933 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.812 -0.025 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.739 -1.203 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.942 -0.195 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.831 -0.843 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.707 0.910 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.929 0.681 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.615 1.821 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.647 0.670 -7.496 1.00 0.00 H new ATOM 834 N ASP A 52 -1.213 -3.103 -5.206 1.00 0.00 N ATOM 835 CA ASP A 52 -1.032 -4.420 -5.806 1.00 0.00 C ATOM 836 C ASP A 52 -1.491 -4.405 -7.259 1.00 0.00 C ATOM 837 O ASP A 52 -2.627 -4.762 -7.567 1.00 0.00 O ATOM 838 CB ASP A 52 -1.813 -5.476 -5.020 1.00 0.00 C ATOM 839 CG ASP A 52 -1.075 -6.798 -4.936 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.082 -6.876 -4.183 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.491 -7.754 -5.623 1.00 0.00 O ATOM 0 H ASP A 52 -2.140 -2.703 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 52 0.028 -4.673 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.006 -5.106 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.782 -5.634 -5.493 1.00 0.00 H new ATOM 846 N VAL A 53 -0.599 -3.973 -8.142 1.00 0.00 N ATOM 847 CA VAL A 53 -0.896 -3.887 -9.567 1.00 0.00 C ATOM 848 C VAL A 53 -1.193 -5.260 -10.174 1.00 0.00 C ATOM 849 O VAL A 53 -0.383 -5.799 -10.927 1.00 0.00 O ATOM 850 CB VAL A 53 0.279 -3.238 -10.331 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.004 -3.194 -11.826 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.555 -1.842 -9.792 1.00 0.00 C ATOM 0 H VAL A 53 0.344 -3.674 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.787 -3.267 -9.666 1.00 0.00 H new ATOM 0 HB VAL A 53 1.166 -3.852 -10.174 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.848 -2.732 -12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.136 -4.208 -12.200 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.897 -2.610 -12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.386 -1.398 -10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.333 -1.222 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.811 -1.904 -8.734 1.00 0.00 H new ATOM 862 N TRP A 54 -2.361 -5.816 -9.860 1.00 0.00 N ATOM 863 CA TRP A 54 -2.741 -7.115 -10.404 1.00 0.00 C ATOM 864 C TRP A 54 -2.903 -7.013 -11.924 1.00 0.00 C ATOM 865 O TRP A 54 -1.918 -7.068 -12.661 1.00 0.00 O ATOM 866 CB TRP A 54 -4.032 -7.617 -9.744 1.00 0.00 C ATOM 867 CG TRP A 54 -4.616 -8.822 -10.418 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.017 -10.035 -10.587 1.00 0.00 C ATOM 869 CD2 TRP A 54 -5.913 -8.926 -11.020 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.860 -10.888 -11.257 1.00 0.00 N ATOM 871 CE2 TRP A 54 -6.030 -10.231 -11.532 1.00 0.00 C ATOM 872 CE3 TRP A 54 -6.985 -8.044 -11.173 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -7.176 -10.674 -12.187 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -8.122 -8.484 -11.823 1.00 0.00 C ATOM 875 CH2 TRP A 54 -8.211 -9.789 -12.322 1.00 0.00 C ATOM 0 H TRP A 54 -3.052 -5.393 -9.240 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.954 -7.837 -10.187 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.828 -7.857 -8.700 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.769 -6.814 -9.749 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.025 -10.288 -10.244 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.649 -11.854 -11.509 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.926 -7.036 -10.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.246 -11.680 -12.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.956 -7.810 -11.948 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.114 -10.104 -12.823 1.00 0.00 H new ATOM 886 N MET A 55 -4.139 -6.842 -12.390 1.00 0.00 N ATOM 887 CA MET A 55 -4.401 -6.711 -13.816 1.00 0.00 C ATOM 888 C MET A 55 -5.396 -5.579 -14.100 1.00 0.00 C ATOM 889 O MET A 55 -6.249 -5.708 -14.977 1.00 0.00 O ATOM 890 CB MET A 55 -4.941 -8.029 -14.378 1.00 0.00 C ATOM 891 CG MET A 55 -3.851 -9.021 -14.752 1.00 0.00 C ATOM 892 SD MET A 55 -4.249 -10.710 -14.260 1.00 0.00 S ATOM 893 CE MET A 55 -3.582 -11.633 -15.643 1.00 0.00 C ATOM 0 H MET A 55 -4.970 -6.791 -11.801 1.00 0.00 H new ATOM 0 HA MET A 55 -3.459 -6.467 -14.306 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.600 -8.487 -13.640 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.547 -7.818 -15.259 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.690 -8.989 -15.830 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.915 -8.721 -14.281 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.751 -12.698 -15.485 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.077 -11.319 -16.562 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.512 -11.444 -15.724 1.00 0.00 H new ATOM 903 N PRO A 56 -5.305 -4.446 -13.366 1.00 0.00 N ATOM 904 CA PRO A 56 -6.204 -3.310 -13.563 1.00 0.00 C ATOM 905 C PRO A 56 -5.724 -2.376 -14.670 1.00 0.00 C ATOM 906 O PRO A 56 -4.860 -2.737 -15.469 1.00 0.00 O ATOM 907 CB PRO A 56 -6.146 -2.609 -12.211 1.00 0.00 C ATOM 908 CG PRO A 56 -4.751 -2.835 -11.740 1.00 0.00 C ATOM 909 CD PRO A 56 -4.325 -4.175 -12.290 1.00 0.00 C ATOM 0 HA PRO A 56 -7.205 -3.615 -13.869 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.367 -1.546 -12.304 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.874 -3.026 -11.515 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.090 -2.043 -12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.703 -2.830 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.306 -4.143 -12.676 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.350 -4.948 -11.522 1.00 0.00 H new ATOM 917 N ASP A 57 -6.289 -1.172 -14.711 1.00 0.00 N ATOM 918 CA ASP A 57 -5.915 -0.187 -15.717 1.00 0.00 C ATOM 919 C ASP A 57 -5.937 1.224 -15.134 1.00 0.00 C ATOM 920 O ASP A 57 -6.393 2.167 -15.782 1.00 0.00 O ATOM 921 CB ASP A 57 -6.858 -0.271 -16.919 1.00 0.00 C ATOM 922 CG ASP A 57 -8.315 -0.144 -16.522 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.597 0.520 -15.503 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.174 -0.711 -17.230 1.00 0.00 O ATOM 0 H ASP A 57 -7.007 -0.857 -14.059 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.899 -0.408 -16.045 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.608 0.517 -17.629 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.705 -1.221 -17.431 1.00 0.00 H new ATOM 929 N GLY A 58 -5.439 1.363 -13.910 1.00 0.00 N ATOM 930 CA GLY A 58 -5.408 2.662 -13.265 1.00 0.00 C ATOM 931 C GLY A 58 -4.076 3.362 -13.441 1.00 0.00 C ATOM 932 O GLY A 58 -3.165 2.826 -14.072 1.00 0.00 O ATOM 0 H GLY A 58 -5.056 0.599 -13.353 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.201 3.287 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.615 2.542 -12.202 1.00 0.00 H new ATOM 936 N ASP A 59 -3.961 4.562 -12.882 1.00 0.00 N ATOM 937 CA ASP A 59 -2.728 5.335 -12.981 1.00 0.00 C ATOM 938 C ASP A 59 -2.100 5.539 -11.606 1.00 0.00 C ATOM 939 O ASP A 59 -2.205 6.614 -11.016 1.00 0.00 O ATOM 940 CB ASP A 59 -3.002 6.690 -13.636 1.00 0.00 C ATOM 941 CG ASP A 59 -1.732 7.365 -14.120 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.883 7.711 -13.273 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.588 7.546 -15.348 1.00 0.00 O ATOM 0 H ASP A 59 -4.705 5.020 -12.356 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.027 4.775 -13.600 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.681 6.553 -14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.507 7.341 -12.922 1.00 0.00 H new ATOM 948 N GLY A 60 -1.445 4.497 -11.101 1.00 0.00 N ATOM 949 CA GLY A 60 -0.808 4.581 -9.801 1.00 0.00 C ATOM 950 C GLY A 60 0.248 5.667 -9.740 1.00 0.00 C ATOM 951 O GLY A 60 0.544 6.196 -8.669 1.00 0.00 O ATOM 0 H GLY A 60 -1.345 3.597 -11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.565 4.772 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.351 3.621 -9.561 1.00 0.00 H new ATOM 955 N VAL A 61 0.819 5.999 -10.895 1.00 0.00 N ATOM 956 CA VAL A 61 1.847 7.023 -10.980 1.00 0.00 C ATOM 957 C VAL A 61 1.374 8.341 -10.371 1.00 0.00 C ATOM 958 O VAL A 61 2.108 8.989 -9.625 1.00 0.00 O ATOM 959 CB VAL A 61 2.259 7.263 -12.442 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.445 8.203 -12.513 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.575 5.945 -13.131 1.00 0.00 C ATOM 0 H VAL A 61 0.582 5.568 -11.789 1.00 0.00 H new ATOM 0 HA VAL A 61 2.706 6.662 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 61 1.423 7.729 -12.963 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.722 8.361 -13.555 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.180 9.158 -12.059 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.287 7.767 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.864 6.135 -14.165 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.394 5.449 -12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.693 5.305 -13.113 1.00 0.00 H new ATOM 971 N ASN A 62 0.146 8.730 -10.694 1.00 0.00 N ATOM 972 CA ASN A 62 -0.421 9.970 -10.179 1.00 0.00 C ATOM 973 C ASN A 62 -1.151 9.744 -8.854 1.00 0.00 C ATOM 974 O ASN A 62 -1.796 10.653 -8.332 1.00 0.00 O ATOM 975 CB ASN A 62 -1.380 10.578 -11.206 1.00 0.00 C ATOM 976 CG ASN A 62 -0.932 11.949 -11.675 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.449 12.971 -11.226 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.034 11.975 -12.586 1.00 0.00 N ATOM 0 H ASN A 62 -0.475 8.205 -11.309 1.00 0.00 H new ATOM 0 HA ASN A 62 0.401 10.662 -9.997 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.459 9.911 -12.065 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.376 10.654 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.376 12.868 -12.941 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.434 11.102 -12.930 1.00 0.00 H new ATOM 985 N PHE A 63 -1.048 8.532 -8.312 1.00 0.00 N ATOM 986 CA PHE A 63 -1.702 8.206 -7.051 1.00 0.00 C ATOM 987 C PHE A 63 -0.786 8.498 -5.866 1.00 0.00 C ATOM 988 O PHE A 63 -1.241 8.952 -4.816 1.00 0.00 O ATOM 989 CB PHE A 63 -2.127 6.736 -7.029 1.00 0.00 C ATOM 990 CG PHE A 63 -2.838 6.341 -5.766 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.955 7.041 -5.341 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.386 5.277 -5.001 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.611 6.688 -4.178 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.037 4.919 -3.836 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.151 5.625 -3.424 1.00 0.00 C ATOM 0 H PHE A 63 -0.520 7.764 -8.726 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.589 8.833 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.779 6.541 -7.881 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.245 6.108 -7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.318 7.873 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.516 4.722 -5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.482 7.241 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.676 4.088 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.662 5.347 -2.514 1.00 0.00 H new ATOM 1005 N ILE A 64 0.505 8.232 -6.040 1.00 0.00 N ATOM 1006 CA ILE A 64 1.487 8.464 -4.983 1.00 0.00 C ATOM 1007 C ILE A 64 1.323 9.852 -4.366 1.00 0.00 C ATOM 1008 O ILE A 64 1.637 10.060 -3.194 1.00 0.00 O ATOM 1009 CB ILE A 64 2.928 8.311 -5.510 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.106 6.950 -6.190 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.931 8.479 -4.377 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.284 7.042 -7.690 1.00 0.00 C ATOM 0 H ILE A 64 0.897 7.855 -6.903 1.00 0.00 H new ATOM 0 HA ILE A 64 1.307 7.710 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 64 3.111 9.092 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.973 6.449 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.238 6.328 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.943 8.368 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.819 9.469 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.750 7.720 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.404 6.041 -8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.407 7.515 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.169 7.637 -7.916 1.00 0.00 H new ATOM 1024 N ASP A 65 0.826 10.794 -5.160 1.00 0.00 N ATOM 1025 CA ASP A 65 0.618 12.156 -4.686 1.00 0.00 C ATOM 1026 C ASP A 65 -0.633 12.240 -3.821 1.00 0.00 C ATOM 1027 O ASP A 65 -0.670 12.979 -2.838 1.00 0.00 O ATOM 1028 CB ASP A 65 0.506 13.121 -5.868 1.00 0.00 C ATOM 1029 CG ASP A 65 0.878 14.542 -5.491 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.718 14.904 -4.306 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.330 15.293 -6.381 1.00 0.00 O ATOM 0 H ASP A 65 0.560 10.639 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 65 1.478 12.441 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.155 12.780 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.514 13.105 -6.251 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.655 11.472 -4.186 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.902 11.453 -3.436 1.00 0.00 C ATOM 1038 C PHE A 66 -2.644 11.027 -1.995 1.00 0.00 C ATOM 1039 O PHE A 66 -3.183 11.611 -1.056 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.906 10.506 -4.100 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.163 10.296 -3.304 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -6.248 11.144 -3.460 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.258 9.251 -2.400 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -7.404 10.952 -2.729 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -6.412 9.054 -1.667 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.486 9.906 -1.831 1.00 0.00 C ATOM 0 H PHE A 66 -1.642 10.855 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.323 12.458 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.170 10.902 -5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.426 9.541 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.189 11.964 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.420 8.583 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.243 11.619 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.474 8.234 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.389 9.755 -1.258 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.805 10.010 -1.828 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.465 9.514 -0.502 1.00 0.00 C ATOM 1058 C ILE A 67 -0.821 10.621 0.329 1.00 0.00 C ATOM 1059 O ILE A 67 -1.145 10.799 1.504 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.513 8.299 -0.582 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.221 7.115 -1.244 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.015 7.909 0.805 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.165 7.140 -2.756 1.00 0.00 C ATOM 0 H ILE A 67 -1.349 9.515 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.389 9.193 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 67 0.349 8.578 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.770 6.189 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.264 7.104 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.653 7.052 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.523 8.748 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.864 7.648 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.688 6.270 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.642 8.049 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.125 7.119 -3.082 1.00 0.00 H new ATOM 1075 N LYS A 68 0.083 11.371 -0.292 1.00 0.00 N ATOM 1076 CA LYS A 68 0.758 12.469 0.391 1.00 0.00 C ATOM 1077 C LYS A 68 -0.122 13.718 0.411 1.00 0.00 C ATOM 1078 O LYS A 68 0.123 14.646 1.180 1.00 0.00 O ATOM 1079 CB LYS A 68 2.092 12.779 -0.292 1.00 0.00 C ATOM 1080 CG LYS A 68 2.914 11.540 -0.612 1.00 0.00 C ATOM 1081 CD LYS A 68 4.394 11.770 -0.353 1.00 0.00 C ATOM 1082 CE LYS A 68 5.131 12.150 -1.627 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.017 13.605 -1.921 1.00 0.00 N ATOM 0 H LYS A 68 0.365 11.240 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 68 0.949 12.164 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.900 13.326 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.676 13.436 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.564 10.704 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.765 11.263 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.516 12.560 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.835 10.867 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.183 11.880 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.729 11.578 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.533 13.824 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.015 13.858 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.424 14.151 -1.135 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.149 13.731 -0.436 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.066 14.862 -0.510 1.00 0.00 C ATOM 1099 C GLU A 69 -2.995 14.883 0.697 1.00 0.00 C ATOM 1100 O GLU A 69 -3.374 15.947 1.186 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.884 14.797 -1.799 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.614 16.091 -2.123 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.118 15.965 -1.979 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.664 14.910 -2.364 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.748 16.921 -1.483 1.00 0.00 O ATOM 0 H GLU A 69 -1.366 12.970 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.477 15.779 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.222 14.546 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.612 13.990 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.255 16.881 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.375 16.393 -3.143 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.357 13.697 1.172 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.243 13.568 2.325 1.00 0.00 C ATOM 1114 C ASN A 70 -3.619 12.679 3.399 1.00 0.00 C ATOM 1115 O ASN A 70 -4.297 12.252 4.334 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.605 13.000 1.898 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.541 12.240 0.585 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.736 11.025 0.546 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.268 12.957 -0.500 1.00 0.00 N ATOM 0 H ASN A 70 -3.050 12.808 0.776 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.391 14.563 2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.978 12.337 2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.321 13.817 1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.213 12.502 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.113 13.962 -0.421 1.00 0.00 H new ATOM 1126 N SER A 71 -2.323 12.404 3.263 1.00 0.00 N ATOM 1127 CA SER A 71 -1.611 11.570 4.223 1.00 0.00 C ATOM 1128 C SER A 71 -0.101 11.768 4.091 1.00 0.00 C ATOM 1129 O SER A 71 0.623 10.857 3.689 1.00 0.00 O ATOM 1130 CB SER A 71 -1.972 10.096 4.017 1.00 0.00 C ATOM 1131 OG SER A 71 -2.816 9.628 5.054 1.00 0.00 O ATOM 0 H SER A 71 -1.746 12.748 2.495 1.00 0.00 H new ATOM 0 HA SER A 71 -1.912 11.868 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.469 9.971 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.062 9.496 3.986 1.00 0.00 H new ATOM 0 HG SER A 71 -3.550 10.263 5.190 1.00 0.00 H new ATOM 1137 N PRO A 72 0.396 12.970 4.430 1.00 0.00 N ATOM 1138 CA PRO A 72 1.824 13.287 4.347 1.00 0.00 C ATOM 1139 C PRO A 72 2.644 12.515 5.369 1.00 0.00 C ATOM 1140 O PRO A 72 3.854 12.344 5.217 1.00 0.00 O ATOM 1141 CB PRO A 72 1.890 14.795 4.636 1.00 0.00 C ATOM 1142 CG PRO A 72 0.481 15.283 4.560 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.387 14.113 4.916 1.00 0.00 C ATOM 0 HA PRO A 72 2.239 13.015 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.318 14.987 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.521 15.306 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.319 16.112 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.249 15.649 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.566 14.054 5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.362 14.171 4.433 1.00 0.00 H new ATOM 1151 N ASP A 73 1.971 12.051 6.404 1.00 0.00 N ATOM 1152 CA ASP A 73 2.616 11.288 7.465 1.00 0.00 C ATOM 1153 C ASP A 73 2.381 9.792 7.276 1.00 0.00 C ATOM 1154 O ASP A 73 2.320 9.035 8.244 1.00 0.00 O ATOM 1155 CB ASP A 73 2.093 11.731 8.831 1.00 0.00 C ATOM 1156 CG ASP A 73 2.846 11.085 9.977 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.087 10.977 9.887 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.195 10.689 10.967 1.00 0.00 O ATOM 0 H ASP A 73 0.969 12.189 6.537 1.00 0.00 H new ATOM 0 HA ASP A 73 3.688 11.479 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.173 12.815 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.035 11.482 8.910 1.00 0.00 H new ATOM 1163 N SER A 74 2.247 9.376 6.021 1.00 0.00 N ATOM 1164 CA SER A 74 2.017 7.973 5.699 1.00 0.00 C ATOM 1165 C SER A 74 3.219 7.383 4.961 1.00 0.00 C ATOM 1166 O SER A 74 4.323 7.923 5.030 1.00 0.00 O ATOM 1167 CB SER A 74 0.748 7.832 4.852 1.00 0.00 C ATOM 1168 OG SER A 74 0.489 6.474 4.539 1.00 0.00 O ATOM 0 H SER A 74 2.294 9.992 5.209 1.00 0.00 H new ATOM 0 HA SER A 74 1.885 7.420 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.101 8.252 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.856 8.406 3.932 1.00 0.00 H new ATOM 0 HG SER A 74 -0.472 6.299 4.612 1.00 0.00 H new ATOM 1174 N VAL A 75 3.000 6.282 4.244 1.00 0.00 N ATOM 1175 CA VAL A 75 4.073 5.643 3.492 1.00 0.00 C ATOM 1176 C VAL A 75 3.538 4.877 2.292 1.00 0.00 C ATOM 1177 O VAL A 75 2.525 4.194 2.380 1.00 0.00 O ATOM 1178 CB VAL A 75 4.895 4.678 4.357 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.023 4.081 3.525 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.438 5.392 5.585 1.00 0.00 C ATOM 0 H VAL A 75 2.095 5.818 4.169 1.00 0.00 H new ATOM 0 HA VAL A 75 4.718 6.454 3.153 1.00 0.00 H new ATOM 0 HB VAL A 75 4.252 3.869 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.606 3.396 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.603 3.539 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.669 4.880 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.018 4.692 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.077 6.218 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.609 5.779 6.178 1.00 0.00 H new ATOM 1190 N VAL A 76 4.219 5.018 1.166 1.00 0.00 N ATOM 1191 CA VAL A 76 3.802 4.354 -0.065 1.00 0.00 C ATOM 1192 C VAL A 76 4.743 3.216 -0.443 1.00 0.00 C ATOM 1193 O VAL A 76 5.903 3.441 -0.781 1.00 0.00 O ATOM 1194 CB VAL A 76 3.721 5.342 -1.245 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.903 4.747 -2.382 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.135 6.673 -0.798 1.00 0.00 C ATOM 0 H VAL A 76 5.062 5.585 1.076 1.00 0.00 H new ATOM 0 HA VAL A 76 2.811 3.947 0.133 1.00 0.00 H new ATOM 0 HB VAL A 76 4.732 5.525 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.856 5.458 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.372 3.825 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.894 4.532 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.088 7.354 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.131 6.515 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.766 7.106 -0.021 1.00 0.00 H new ATOM 1206 N ILE A 77 4.228 1.994 -0.399 1.00 0.00 N ATOM 1207 CA ILE A 77 5.013 0.817 -0.750 1.00 0.00 C ATOM 1208 C ILE A 77 4.858 0.496 -2.234 1.00 0.00 C ATOM 1209 O ILE A 77 5.817 0.587 -3.001 1.00 0.00 O ATOM 1210 CB ILE A 77 4.594 -0.409 0.085 1.00 0.00 C ATOM 1211 CG1 ILE A 77 4.679 -0.084 1.578 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.465 -1.611 -0.252 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.059 0.350 2.025 1.00 0.00 C ATOM 0 H ILE A 77 3.267 1.792 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 77 6.057 1.044 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 77 3.562 -0.659 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.965 0.706 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.380 -0.962 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.153 -2.466 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.359 -1.852 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.507 -1.377 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.045 0.564 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.774 -0.448 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.353 1.247 1.479 1.00 0.00 H new ATOM 1225 N VAL A 78 3.644 0.128 -2.634 1.00 0.00 N ATOM 1226 CA VAL A 78 3.365 -0.195 -4.030 1.00 0.00 C ATOM 1227 C VAL A 78 4.345 -1.240 -4.560 1.00 0.00 C ATOM 1228 O VAL A 78 5.460 -0.910 -4.965 1.00 0.00 O ATOM 1229 CB VAL A 78 3.436 1.070 -4.911 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.130 0.742 -6.367 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.482 2.132 -4.388 1.00 0.00 C ATOM 0 H VAL A 78 2.839 0.046 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 78 2.356 -0.605 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 78 4.452 1.461 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.187 1.652 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.856 0.018 -6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.127 0.321 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.543 3.018 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.463 1.745 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.755 2.395 -3.366 1.00 0.00 H new ATOM 1241 N ILE A 79 3.921 -2.501 -4.556 1.00 0.00 N ATOM 1242 CA ILE A 79 4.765 -3.590 -5.036 1.00 0.00 C ATOM 1243 C ILE A 79 4.052 -4.413 -6.102 1.00 0.00 C ATOM 1244 O ILE A 79 2.848 -4.649 -6.017 1.00 0.00 O ATOM 1245 CB ILE A 79 5.187 -4.530 -3.894 1.00 0.00 C ATOM 1246 CG1 ILE A 79 5.676 -3.725 -2.691 1.00 0.00 C ATOM 1247 CG2 ILE A 79 6.265 -5.488 -4.375 1.00 0.00 C ATOM 1248 CD1 ILE A 79 5.755 -4.536 -1.417 1.00 0.00 C ATOM 0 H ILE A 79 3.001 -2.793 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 79 5.653 -3.124 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 79 4.320 -5.113 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.661 -3.315 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.007 -2.879 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.556 -6.148 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.880 -6.083 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.133 -4.920 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.109 -3.902 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.767 -4.924 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.446 -5.367 -1.557 1.00 0.00 H new ATOM 1260 N THR A 80 4.811 -4.852 -7.102 1.00 0.00 N ATOM 1261 CA THR A 80 4.265 -5.659 -8.192 1.00 0.00 C ATOM 1262 C THR A 80 5.315 -5.884 -9.276 1.00 0.00 C ATOM 1263 O THR A 80 5.713 -4.950 -9.972 1.00 0.00 O ATOM 1264 CB THR A 80 3.020 -4.997 -8.798 1.00 0.00 C ATOM 1265 OG1 THR A 80 2.921 -3.637 -8.401 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.733 -5.697 -8.415 1.00 0.00 C ATOM 0 H THR A 80 5.810 -4.662 -7.181 1.00 0.00 H new ATOM 0 HA THR A 80 3.976 -6.624 -7.777 1.00 0.00 H new ATOM 0 HB THR A 80 3.146 -5.072 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.521 -3.585 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.889 -5.183 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.762 -6.729 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.620 -5.684 -7.331 1.00 0.00 H new ATOM 1274 N GLY A 81 5.760 -7.129 -9.412 1.00 0.00 N ATOM 1275 CA GLY A 81 6.759 -7.456 -10.412 1.00 0.00 C ATOM 1276 C GLY A 81 6.244 -8.430 -11.452 1.00 0.00 C ATOM 1277 O GLY A 81 6.422 -9.641 -11.321 1.00 0.00 O ATOM 0 H GLY A 81 5.446 -7.918 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.086 -6.541 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.633 -7.883 -9.921 1.00 0.00 H new ATOM 1281 N HIS A 82 5.602 -7.902 -12.490 1.00 0.00 N ATOM 1282 CA HIS A 82 5.059 -8.733 -13.558 1.00 0.00 C ATOM 1283 C HIS A 82 5.643 -8.332 -14.910 1.00 0.00 C ATOM 1284 O HIS A 82 4.982 -8.448 -15.942 1.00 0.00 O ATOM 1285 CB HIS A 82 3.534 -8.620 -13.598 1.00 0.00 C ATOM 1286 CG HIS A 82 2.863 -9.804 -14.220 1.00 0.00 C ATOM 1287 ND1 HIS A 82 1.495 -9.905 -14.368 1.00 0.00 N ATOM 1288 CD2 HIS A 82 3.380 -10.946 -14.734 1.00 0.00 C ATOM 1289 CE1 HIS A 82 1.200 -11.057 -14.946 1.00 0.00 C ATOM 1290 NE2 HIS A 82 2.326 -11.706 -15.179 1.00 0.00 N ATOM 0 H HIS A 82 5.445 -6.902 -12.614 1.00 0.00 H new ATOM 0 HA HIS A 82 5.335 -9.767 -13.353 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.160 -8.493 -12.582 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.259 -7.723 -14.153 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.426 -11.210 -14.784 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.207 -11.407 -15.187 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.401 -12.623 -15.618 1.00 0.00 H new ATOM 1299 N GLY A 83 6.886 -7.861 -14.897 1.00 0.00 N ATOM 1300 CA GLY A 83 7.537 -7.450 -16.128 1.00 0.00 C ATOM 1301 C GLY A 83 7.491 -5.949 -16.335 1.00 0.00 C ATOM 1302 O GLY A 83 7.279 -5.476 -17.451 1.00 0.00 O ATOM 0 H GLY A 83 7.454 -7.757 -14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.576 -7.780 -16.114 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.057 -7.945 -16.972 1.00 0.00 H new ATOM 1306 N SER A 84 7.688 -5.198 -15.256 1.00 0.00 N ATOM 1307 CA SER A 84 7.666 -3.742 -15.323 1.00 0.00 C ATOM 1308 C SER A 84 8.710 -3.135 -14.391 1.00 0.00 C ATOM 1309 O SER A 84 8.518 -3.085 -13.176 1.00 0.00 O ATOM 1310 CB SER A 84 6.276 -3.216 -14.964 1.00 0.00 C ATOM 1311 OG SER A 84 5.741 -3.908 -13.850 1.00 0.00 O ATOM 0 H SER A 84 7.865 -5.574 -14.325 1.00 0.00 H new ATOM 0 HA SER A 84 7.906 -3.448 -16.345 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.333 -2.151 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.610 -3.327 -15.819 1.00 0.00 H new ATOM 0 HG SER A 84 6.422 -3.975 -13.149 1.00 0.00 H new ATOM 1317 N VAL A 85 9.815 -2.673 -14.968 1.00 0.00 N ATOM 1318 CA VAL A 85 10.890 -2.067 -14.191 1.00 0.00 C ATOM 1319 C VAL A 85 10.810 -0.544 -14.238 1.00 0.00 C ATOM 1320 O VAL A 85 11.244 0.138 -13.310 1.00 0.00 O ATOM 1321 CB VAL A 85 12.274 -2.512 -14.702 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.546 -3.958 -14.318 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.371 -2.327 -16.208 1.00 0.00 C ATOM 0 H VAL A 85 9.989 -2.707 -15.972 1.00 0.00 H new ATOM 0 HA VAL A 85 10.765 -2.405 -13.162 1.00 0.00 H new ATOM 0 HB VAL A 85 13.033 -1.886 -14.232 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.528 -4.254 -14.688 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.522 -4.057 -13.233 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.784 -4.601 -14.758 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.355 -2.646 -16.551 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.604 -2.926 -16.698 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.224 -1.276 -16.456 1.00 0.00 H new ATOM 1333 N ASP A 86 10.251 -0.017 -15.324 1.00 0.00 N ATOM 1334 CA ASP A 86 10.113 1.426 -15.485 1.00 0.00 C ATOM 1335 C ASP A 86 8.859 1.944 -14.780 1.00 0.00 C ATOM 1336 O ASP A 86 8.557 3.137 -14.836 1.00 0.00 O ATOM 1337 CB ASP A 86 10.069 1.793 -16.968 1.00 0.00 C ATOM 1338 CG ASP A 86 9.998 3.292 -17.191 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.437 4.046 -16.299 1.00 0.00 O ATOM 1340 OD2 ASP A 86 9.503 3.710 -18.259 1.00 0.00 O ATOM 0 H ASP A 86 9.888 -0.566 -16.103 1.00 0.00 H new ATOM 0 HA ASP A 86 10.981 1.899 -15.026 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.955 1.396 -17.464 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.204 1.318 -17.432 1.00 0.00 H new ATOM 1345 N THR A 87 8.148 1.053 -14.091 1.00 0.00 N ATOM 1346 CA THR A 87 6.954 1.442 -13.354 1.00 0.00 C ATOM 1347 C THR A 87 7.344 1.817 -11.932 1.00 0.00 C ATOM 1348 O THR A 87 6.809 2.759 -11.348 1.00 0.00 O ATOM 1349 CB THR A 87 5.914 0.311 -13.356 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.602 0.841 -13.292 1.00 0.00 O ATOM 1351 CG2 THR A 87 6.064 -0.669 -12.207 1.00 0.00 C ATOM 0 H THR A 87 8.379 0.061 -14.030 1.00 0.00 H new ATOM 0 HA THR A 87 6.499 2.304 -13.841 1.00 0.00 H new ATOM 0 HB THR A 87 6.089 -0.227 -14.288 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.952 0.107 -13.296 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.293 -1.436 -12.280 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.047 -1.137 -12.254 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.960 -0.139 -11.260 1.00 0.00 H new ATOM 1359 N ALA A 88 8.303 1.073 -11.397 1.00 0.00 N ATOM 1360 CA ALA A 88 8.809 1.310 -10.057 1.00 0.00 C ATOM 1361 C ALA A 88 9.352 2.725 -9.945 1.00 0.00 C ATOM 1362 O ALA A 88 8.913 3.515 -9.111 1.00 0.00 O ATOM 1363 CB ALA A 88 9.901 0.303 -9.734 1.00 0.00 C ATOM 0 H ALA A 88 8.749 0.292 -11.879 1.00 0.00 H new ATOM 0 HA ALA A 88 7.994 1.192 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.278 0.485 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.494 -0.706 -9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.716 0.407 -10.451 1.00 0.00 H new ATOM 1369 N VAL A 89 10.314 3.030 -10.804 1.00 0.00 N ATOM 1370 CA VAL A 89 10.936 4.341 -10.829 1.00 0.00 C ATOM 1371 C VAL A 89 9.918 5.437 -11.135 1.00 0.00 C ATOM 1372 O VAL A 89 10.108 6.592 -10.758 1.00 0.00 O ATOM 1373 CB VAL A 89 12.070 4.391 -11.873 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.071 3.277 -11.616 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.511 4.294 -13.285 1.00 0.00 C ATOM 0 H VAL A 89 10.682 2.379 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 89 11.351 4.518 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 89 12.582 5.348 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.866 3.324 -12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.498 3.394 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.567 2.313 -11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.330 4.331 -14.004 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.971 3.354 -13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.831 5.127 -13.465 1.00 0.00 H new ATOM 1385 N LYS A 90 8.841 5.074 -11.827 1.00 0.00 N ATOM 1386 CA LYS A 90 7.805 6.037 -12.183 1.00 0.00 C ATOM 1387 C LYS A 90 6.844 6.281 -11.022 1.00 0.00 C ATOM 1388 O LYS A 90 6.120 7.276 -11.009 1.00 0.00 O ATOM 1389 CB LYS A 90 7.027 5.553 -13.405 1.00 0.00 C ATOM 1390 CG LYS A 90 5.983 6.545 -13.887 1.00 0.00 C ATOM 1391 CD LYS A 90 5.565 6.265 -15.321 1.00 0.00 C ATOM 1392 CE LYS A 90 5.520 7.540 -16.148 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.879 7.968 -16.581 1.00 0.00 N ATOM 0 H LYS A 90 8.664 4.123 -12.151 1.00 0.00 H new ATOM 0 HA LYS A 90 8.299 6.980 -12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.727 5.351 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.537 4.609 -13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.109 6.499 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.381 7.557 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.263 5.561 -15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.584 5.790 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.892 7.382 -17.025 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.057 8.336 -15.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.806 8.841 -17.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.471 8.143 -15.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.311 7.219 -17.160 1.00 0.00 H new ATOM 1407 N ALA A 91 6.833 5.370 -10.053 1.00 0.00 N ATOM 1408 CA ALA A 91 5.948 5.500 -8.902 1.00 0.00 C ATOM 1409 C ALA A 91 6.720 5.846 -7.633 1.00 0.00 C ATOM 1410 O ALA A 91 6.192 6.506 -6.738 1.00 0.00 O ATOM 1411 CB ALA A 91 5.154 4.218 -8.704 1.00 0.00 C ATOM 0 H ALA A 91 7.424 4.539 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 91 5.260 6.321 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.496 4.327 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.556 4.019 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.840 3.388 -8.535 1.00 0.00 H new ATOM 1417 N ILE A 92 7.968 5.394 -7.554 1.00 0.00 N ATOM 1418 CA ILE A 92 8.796 5.659 -6.382 1.00 0.00 C ATOM 1419 C ILE A 92 9.432 7.047 -6.457 1.00 0.00 C ATOM 1420 O ILE A 92 9.789 7.630 -5.433 1.00 0.00 O ATOM 1421 CB ILE A 92 9.895 4.582 -6.197 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.084 4.843 -7.130 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.320 3.190 -6.441 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.158 3.777 -7.057 1.00 0.00 C ATOM 0 H ILE A 92 8.426 4.846 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 92 8.136 5.622 -5.515 1.00 0.00 H new ATOM 0 HB ILE A 92 10.255 4.637 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.722 4.912 -8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.525 5.809 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.104 2.444 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.514 3.000 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.931 3.130 -7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.967 4.028 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.548 3.723 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.733 2.812 -7.334 1.00 0.00 H new ATOM 1436 N LYS A 93 9.565 7.573 -7.672 1.00 0.00 N ATOM 1437 CA LYS A 93 10.151 8.894 -7.868 1.00 0.00 C ATOM 1438 C LYS A 93 9.224 9.978 -7.327 1.00 0.00 C ATOM 1439 O LYS A 93 9.678 10.990 -6.793 1.00 0.00 O ATOM 1440 CB LYS A 93 10.433 9.140 -9.354 1.00 0.00 C ATOM 1441 CG LYS A 93 9.176 9.243 -10.205 1.00 0.00 C ATOM 1442 CD LYS A 93 9.490 9.751 -11.605 1.00 0.00 C ATOM 1443 CE LYS A 93 8.567 10.892 -12.005 1.00 0.00 C ATOM 1444 NZ LYS A 93 8.696 11.232 -13.450 1.00 0.00 N ATOM 0 H LYS A 93 9.276 7.106 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 93 11.092 8.934 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.008 10.060 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.055 8.330 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.698 8.265 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.464 9.914 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.526 10.088 -11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.391 8.934 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.535 10.617 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.796 11.772 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.051 12.014 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.675 11.519 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.453 10.400 -14.025 1.00 0.00 H new ATOM 1458 N LYS A 94 7.921 9.755 -7.468 1.00 0.00 N ATOM 1459 CA LYS A 94 6.925 10.708 -6.991 1.00 0.00 C ATOM 1460 C LYS A 94 7.065 10.935 -5.490 1.00 0.00 C ATOM 1461 O LYS A 94 6.717 12.001 -4.980 1.00 0.00 O ATOM 1462 CB LYS A 94 5.520 10.210 -7.315 1.00 0.00 C ATOM 1463 CG LYS A 94 5.043 10.593 -8.708 1.00 0.00 C ATOM 1464 CD LYS A 94 4.565 12.036 -8.759 1.00 0.00 C ATOM 1465 CE LYS A 94 5.420 12.876 -9.694 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.653 13.374 -9.024 1.00 0.00 N ATOM 0 H LYS A 94 7.530 8.922 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 94 7.092 11.657 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.497 9.125 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.823 10.610 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.854 10.452 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.233 9.930 -9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.527 12.065 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.592 12.464 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.695 12.282 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.837 13.723 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.903 14.308 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.484 13.453 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.434 12.709 -9.196 1.00 0.00 H new ATOM 1480 N GLY A 95 7.578 9.930 -4.789 1.00 0.00 N ATOM 1481 CA GLY A 95 7.756 10.044 -3.353 1.00 0.00 C ATOM 1482 C GLY A 95 7.289 8.813 -2.600 1.00 0.00 C ATOM 1483 O GLY A 95 6.759 8.924 -1.495 1.00 0.00 O ATOM 0 H GLY A 95 7.874 9.039 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.810 10.219 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.208 10.914 -2.992 1.00 0.00 H new ATOM 1487 N ALA A 96 7.487 7.638 -3.191 1.00 0.00 N ATOM 1488 CA ALA A 96 7.082 6.393 -2.554 1.00 0.00 C ATOM 1489 C ALA A 96 8.210 5.830 -1.695 1.00 0.00 C ATOM 1490 O ALA A 96 9.174 6.528 -1.383 1.00 0.00 O ATOM 1491 CB ALA A 96 6.641 5.372 -3.596 1.00 0.00 C ATOM 0 H ALA A 96 7.924 7.524 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 96 6.234 6.607 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.343 4.449 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.797 5.769 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.467 5.166 -4.276 1.00 0.00 H new ATOM 1497 N TYR A 97 8.079 4.565 -1.308 1.00 0.00 N ATOM 1498 CA TYR A 97 9.083 3.911 -0.478 1.00 0.00 C ATOM 1499 C TYR A 97 9.831 2.834 -1.258 1.00 0.00 C ATOM 1500 O TYR A 97 10.366 1.894 -0.674 1.00 0.00 O ATOM 1501 CB TYR A 97 8.418 3.303 0.754 1.00 0.00 C ATOM 1502 CG TYR A 97 9.389 2.685 1.734 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.318 3.468 2.408 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.377 1.319 1.985 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.207 2.906 3.305 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.261 0.750 2.881 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.174 1.547 3.537 1.00 0.00 C ATOM 1508 OH TYR A 97 12.059 0.984 4.429 1.00 0.00 O ATOM 0 H TYR A 97 7.287 3.973 -1.556 1.00 0.00 H new ATOM 0 HA TYR A 97 9.809 4.661 -0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.845 4.077 1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.708 2.541 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.346 4.533 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.664 0.691 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.923 3.528 3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.237 -0.314 3.066 1.00 0.00 H new ATOM 0 HH TYR A 97 11.736 1.125 5.343 1.00 0.00 H new ATOM 1518 N GLU A 98 9.864 2.994 -2.578 1.00 0.00 N ATOM 1519 CA GLU A 98 10.549 2.059 -3.480 1.00 0.00 C ATOM 1520 C GLU A 98 9.654 0.883 -3.857 1.00 0.00 C ATOM 1521 O GLU A 98 8.659 0.598 -3.191 1.00 0.00 O ATOM 1522 CB GLU A 98 11.869 1.554 -2.869 1.00 0.00 C ATOM 1523 CG GLU A 98 11.767 0.209 -2.149 1.00 0.00 C ATOM 1524 CD GLU A 98 12.700 0.116 -0.958 1.00 0.00 C ATOM 1525 OE1 GLU A 98 12.919 1.149 -0.291 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.213 -0.992 -0.690 1.00 0.00 O ATOM 0 H GLU A 98 9.417 3.775 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 98 10.783 2.610 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.612 1.471 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.237 2.301 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.741 0.056 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.997 -0.593 -2.850 1.00 0.00 H new ATOM 1533 N PHE A 99 10.031 0.202 -4.934 1.00 0.00 N ATOM 1534 CA PHE A 99 9.287 -0.952 -5.419 1.00 0.00 C ATOM 1535 C PHE A 99 9.896 -2.239 -4.878 1.00 0.00 C ATOM 1536 O PHE A 99 10.849 -2.772 -5.444 1.00 0.00 O ATOM 1537 CB PHE A 99 9.294 -0.974 -6.948 1.00 0.00 C ATOM 1538 CG PHE A 99 7.925 -0.933 -7.565 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.078 0.136 -7.332 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.492 -1.962 -8.385 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.821 0.179 -7.907 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.236 -1.926 -8.962 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.400 -0.853 -8.721 1.00 0.00 C ATOM 0 H PHE A 99 10.854 0.433 -5.490 1.00 0.00 H new ATOM 0 HA PHE A 99 8.258 -0.877 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.871 -0.123 -7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.807 -1.874 -7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.402 0.945 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.143 -2.802 -8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.169 1.019 -7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.909 -2.734 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.418 -0.822 -9.169 1.00 0.00 H new ATOM 1553 N LEU A 100 9.346 -2.730 -3.774 1.00 0.00 N ATOM 1554 CA LEU A 100 9.838 -3.948 -3.149 1.00 0.00 C ATOM 1555 C LEU A 100 9.979 -5.081 -4.163 1.00 0.00 C ATOM 1556 O LEU A 100 9.003 -5.751 -4.502 1.00 0.00 O ATOM 1557 CB LEU A 100 8.885 -4.363 -2.037 1.00 0.00 C ATOM 1558 CG LEU A 100 9.426 -5.411 -1.076 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.678 -4.910 -0.375 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.362 -5.770 -0.063 1.00 0.00 C ATOM 0 H LEU A 100 8.556 -2.300 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 100 10.827 -3.747 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.611 -3.476 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.970 -4.746 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 100 9.694 -6.301 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.045 -5.677 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.445 -4.686 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.443 -4.007 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.752 -6.521 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.077 -4.879 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.489 -6.169 -0.579 1.00 0.00 H new ATOM 1572 N GLU A 101 11.201 -5.289 -4.642 1.00 0.00 N ATOM 1573 CA GLU A 101 11.472 -6.343 -5.614 1.00 0.00 C ATOM 1574 C GLU A 101 12.151 -7.534 -4.944 1.00 0.00 C ATOM 1575 O GLU A 101 13.357 -7.735 -5.086 1.00 0.00 O ATOM 1576 CB GLU A 101 12.349 -5.806 -6.748 1.00 0.00 C ATOM 1577 CG GLU A 101 13.708 -5.309 -6.284 1.00 0.00 C ATOM 1578 CD GLU A 101 14.088 -3.979 -6.907 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.058 -3.877 -8.152 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.414 -3.041 -6.151 1.00 0.00 O ATOM 0 H GLU A 101 12.019 -4.742 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 101 10.522 -6.677 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.493 -6.593 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.824 -4.991 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.703 -5.209 -5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.466 -6.052 -6.532 1.00 0.00 H new ATOM 1587 N LYS A 102 11.367 -8.319 -4.212 1.00 0.00 N ATOM 1588 CA LYS A 102 11.891 -9.489 -3.517 1.00 0.00 C ATOM 1589 C LYS A 102 10.810 -10.559 -3.361 1.00 0.00 C ATOM 1590 O LYS A 102 10.471 -10.956 -2.246 1.00 0.00 O ATOM 1591 CB LYS A 102 12.438 -9.089 -2.145 1.00 0.00 C ATOM 1592 CG LYS A 102 13.927 -8.786 -2.148 1.00 0.00 C ATOM 1593 CD LYS A 102 14.317 -7.895 -0.979 1.00 0.00 C ATOM 1594 CE LYS A 102 14.476 -6.446 -1.411 1.00 0.00 C ATOM 1595 NZ LYS A 102 13.966 -5.500 -0.380 1.00 0.00 N ATOM 0 H LYS A 102 10.367 -8.166 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 102 12.702 -9.905 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.898 -8.211 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.241 -9.893 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.489 -9.719 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.198 -8.299 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.558 -7.962 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.251 -8.251 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.528 -6.238 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.941 -6.286 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.539 -4.675 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.250 -5.976 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.753 -5.187 0.224 1.00 0.00 H new ATOM 1609 N PRO A 103 10.251 -11.040 -4.485 1.00 0.00 N ATOM 1610 CA PRO A 103 9.203 -12.068 -4.470 1.00 0.00 C ATOM 1611 C PRO A 103 9.689 -13.386 -3.872 1.00 0.00 C ATOM 1612 O PRO A 103 10.196 -14.253 -4.585 1.00 0.00 O ATOM 1613 CB PRO A 103 8.852 -12.250 -5.952 1.00 0.00 C ATOM 1614 CG PRO A 103 10.035 -11.733 -6.696 1.00 0.00 C ATOM 1615 CD PRO A 103 10.593 -10.623 -5.855 1.00 0.00 C ATOM 0 HA PRO A 103 8.355 -11.771 -3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.665 -13.298 -6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.949 -11.698 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.775 -12.518 -6.848 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.748 -11.370 -7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.670 -10.518 -5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.146 -9.662 -6.108 1.00 0.00 H new ATOM 1623 N PHE A 104 9.525 -13.530 -2.561 1.00 0.00 N ATOM 1624 CA PHE A 104 9.942 -14.742 -1.864 1.00 0.00 C ATOM 1625 C PHE A 104 8.748 -15.418 -1.198 1.00 0.00 C ATOM 1626 O PHE A 104 8.286 -16.469 -1.643 1.00 0.00 O ATOM 1627 CB PHE A 104 11.006 -14.413 -0.816 1.00 0.00 C ATOM 1628 CG PHE A 104 12.411 -14.678 -1.278 1.00 0.00 C ATOM 1629 CD1 PHE A 104 12.936 -15.959 -1.246 1.00 0.00 C ATOM 1630 CD2 PHE A 104 13.206 -13.642 -1.743 1.00 0.00 C ATOM 1631 CE1 PHE A 104 14.229 -16.204 -1.669 1.00 0.00 C ATOM 1632 CE2 PHE A 104 14.499 -13.880 -2.167 1.00 0.00 C ATOM 1633 CZ PHE A 104 15.011 -15.164 -2.130 1.00 0.00 C ATOM 0 H PHE A 104 9.106 -12.821 -1.959 1.00 0.00 H new ATOM 0 HA PHE A 104 10.366 -15.428 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.917 -13.363 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.812 -14.999 0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.328 -16.776 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.810 -12.638 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.627 -17.208 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 104 15.109 -13.065 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 104 16.021 -15.353 -2.461 1.00 0.00 H new ATOM 1643 N SER A 105 8.252 -14.803 -0.129 1.00 0.00 N ATOM 1644 CA SER A 105 7.110 -15.338 0.604 1.00 0.00 C ATOM 1645 C SER A 105 6.446 -14.245 1.436 1.00 0.00 C ATOM 1646 O SER A 105 6.074 -14.468 2.588 1.00 0.00 O ATOM 1647 CB SER A 105 7.549 -16.492 1.506 1.00 0.00 C ATOM 1648 OG SER A 105 8.686 -16.136 2.272 1.00 0.00 O ATOM 0 H SER A 105 8.624 -13.932 0.250 1.00 0.00 H new ATOM 0 HA SER A 105 6.385 -15.713 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.731 -16.770 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.776 -17.367 0.897 1.00 0.00 H new ATOM 0 HG SER A 105 8.946 -16.890 2.842 1.00 0.00 H new ATOM 1654 N VAL A 106 6.311 -13.061 0.840 1.00 0.00 N ATOM 1655 CA VAL A 106 5.697 -11.906 1.501 1.00 0.00 C ATOM 1656 C VAL A 106 6.254 -11.673 2.912 1.00 0.00 C ATOM 1657 O VAL A 106 5.686 -10.906 3.694 1.00 0.00 O ATOM 1658 CB VAL A 106 4.157 -12.042 1.562 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.741 -13.308 2.295 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.536 -10.816 2.214 1.00 0.00 C ATOM 0 H VAL A 106 6.623 -12.874 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 106 5.953 -11.038 0.893 1.00 0.00 H new ATOM 0 HB VAL A 106 3.789 -12.114 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.653 -13.373 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.145 -14.178 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.126 -13.282 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.453 -10.931 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.921 -10.709 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.789 -9.928 1.634 1.00 0.00 H new ATOM 1670 N GLU A 107 7.382 -12.299 3.229 1.00 0.00 N ATOM 1671 CA GLU A 107 7.998 -12.114 4.529 1.00 0.00 C ATOM 1672 C GLU A 107 8.812 -10.830 4.529 1.00 0.00 C ATOM 1673 O GLU A 107 8.746 -10.037 5.468 1.00 0.00 O ATOM 1674 CB GLU A 107 8.881 -13.307 4.872 1.00 0.00 C ATOM 1675 CG GLU A 107 8.838 -13.694 6.339 1.00 0.00 C ATOM 1676 CD GLU A 107 10.008 -13.135 7.126 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.893 -12.002 7.637 1.00 0.00 O ATOM 1678 OE2 GLU A 107 11.040 -13.831 7.229 1.00 0.00 O ATOM 0 H GLU A 107 7.882 -12.933 2.606 1.00 0.00 H new ATOM 0 HA GLU A 107 7.218 -12.039 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.572 -14.162 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.910 -13.078 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.906 -13.337 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.834 -14.781 6.424 1.00 0.00 H new ATOM 1685 N ARG A 108 9.562 -10.619 3.448 1.00 0.00 N ATOM 1686 CA ARG A 108 10.365 -9.414 3.306 1.00 0.00 C ATOM 1687 C ARG A 108 9.450 -8.199 3.289 1.00 0.00 C ATOM 1688 O ARG A 108 9.788 -7.140 3.816 1.00 0.00 O ATOM 1689 CB ARG A 108 11.196 -9.467 2.021 1.00 0.00 C ATOM 1690 CG ARG A 108 12.204 -10.604 1.995 1.00 0.00 C ATOM 1691 CD ARG A 108 13.470 -10.247 2.759 1.00 0.00 C ATOM 1692 NE ARG A 108 14.188 -9.134 2.142 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.050 -7.860 2.509 1.00 0.00 C ATOM 1694 NH1 ARG A 108 13.206 -7.522 3.477 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.757 -6.918 1.899 1.00 0.00 N ATOM 0 H ARG A 108 9.628 -11.267 2.663 1.00 0.00 H new ATOM 0 HA ARG A 108 11.050 -9.342 4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.525 -9.568 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.724 -8.521 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.756 -11.498 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.457 -10.843 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.212 -9.987 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.123 -11.118 2.805 1.00 0.00 H new ATOM 0 HE ARG A 108 14.836 -9.345 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.656 -8.240 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.108 -6.544 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.404 -7.169 1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.654 -5.942 2.177 1.00 0.00 H new ATOM 1709 N PHE A 109 8.270 -8.377 2.698 1.00 0.00 N ATOM 1710 CA PHE A 109 7.281 -7.311 2.633 1.00 0.00 C ATOM 1711 C PHE A 109 6.844 -6.948 4.045 1.00 0.00 C ATOM 1712 O PHE A 109 6.790 -5.772 4.408 1.00 0.00 O ATOM 1713 CB PHE A 109 6.077 -7.755 1.788 1.00 0.00 C ATOM 1714 CG PHE A 109 4.863 -6.868 1.917 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.991 -5.524 2.236 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.593 -7.385 1.718 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.875 -4.717 2.354 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.476 -6.583 1.835 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.616 -5.248 2.153 1.00 0.00 C ATOM 0 H PHE A 109 7.979 -9.250 2.258 1.00 0.00 H new ATOM 0 HA PHE A 109 7.720 -6.433 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.377 -7.790 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.802 -8.770 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.973 -5.104 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.476 -8.429 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.987 -3.672 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.492 -7.000 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.743 -4.619 2.245 1.00 0.00 H new ATOM 1729 N LEU A 110 6.554 -7.971 4.846 1.00 0.00 N ATOM 1730 CA LEU A 110 6.147 -7.759 6.229 1.00 0.00 C ATOM 1731 C LEU A 110 7.107 -6.803 6.926 1.00 0.00 C ATOM 1732 O LEU A 110 6.698 -5.968 7.732 1.00 0.00 O ATOM 1733 CB LEU A 110 6.096 -9.085 6.974 1.00 0.00 C ATOM 1734 CG LEU A 110 4.777 -9.364 7.690 1.00 0.00 C ATOM 1735 CD1 LEU A 110 4.896 -10.614 8.538 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.368 -8.173 8.546 1.00 0.00 C ATOM 0 H LEU A 110 6.594 -8.950 4.561 1.00 0.00 H new ATOM 0 HA LEU A 110 5.151 -7.316 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.287 -9.892 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.903 -9.106 7.707 1.00 0.00 H new ATOM 0 HG LEU A 110 4.003 -9.525 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.949 -10.802 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.143 -11.464 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.682 -10.477 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.426 -8.392 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.139 -7.979 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.246 -7.294 7.913 1.00 0.00 H new ATOM 1748 N LEU A 111 8.389 -6.928 6.593 1.00 0.00 N ATOM 1749 CA LEU A 111 9.415 -6.070 7.169 1.00 0.00 C ATOM 1750 C LEU A 111 9.246 -4.639 6.676 1.00 0.00 C ATOM 1751 O LEU A 111 9.296 -3.693 7.461 1.00 0.00 O ATOM 1752 CB LEU A 111 10.807 -6.585 6.813 1.00 0.00 C ATOM 1753 CG LEU A 111 11.330 -7.710 7.708 1.00 0.00 C ATOM 1754 CD1 LEU A 111 10.779 -9.053 7.255 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.852 -7.728 7.704 1.00 0.00 C ATOM 0 H LEU A 111 8.740 -7.616 5.927 1.00 0.00 H new ATOM 0 HA LEU A 111 9.305 -6.085 8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.794 -6.938 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 111 11.508 -5.751 6.856 1.00 0.00 H new ATOM 0 HG LEU A 111 10.990 -7.526 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.162 -9.841 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.690 -9.036 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.089 -9.246 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.208 -8.534 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.211 -7.888 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.228 -6.775 8.076 1.00 0.00 H new ATOM 1767 N THR A 112 9.034 -4.489 5.368 1.00 0.00 N ATOM 1768 CA THR A 112 8.843 -3.172 4.766 1.00 0.00 C ATOM 1769 C THR A 112 7.857 -2.350 5.588 1.00 0.00 C ATOM 1770 O THR A 112 8.060 -1.158 5.815 1.00 0.00 O ATOM 1771 CB THR A 112 8.338 -3.311 3.328 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.253 -4.056 2.544 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.118 -1.982 2.639 1.00 0.00 C ATOM 0 H THR A 112 8.990 -5.264 4.706 1.00 0.00 H new ATOM 0 HA THR A 112 9.804 -2.657 4.753 1.00 0.00 H new ATOM 0 HB THR A 112 7.379 -3.823 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.991 -3.476 2.263 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.760 -2.153 1.624 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.378 -1.404 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.057 -1.430 2.604 1.00 0.00 H new ATOM 1781 N ILE A 113 6.801 -3.009 6.052 1.00 0.00 N ATOM 1782 CA ILE A 113 5.792 -2.357 6.873 1.00 0.00 C ATOM 1783 C ILE A 113 6.425 -1.861 8.169 1.00 0.00 C ATOM 1784 O ILE A 113 6.523 -0.657 8.407 1.00 0.00 O ATOM 1785 CB ILE A 113 4.631 -3.324 7.195 1.00 0.00 C ATOM 1786 CG1 ILE A 113 3.756 -3.535 5.959 1.00 0.00 C ATOM 1787 CG2 ILE A 113 3.798 -2.806 8.357 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.233 -2.249 5.356 1.00 0.00 C ATOM 0 H ILE A 113 6.623 -3.997 5.872 1.00 0.00 H new ATOM 0 HA ILE A 113 5.389 -1.512 6.315 1.00 0.00 H new ATOM 0 HB ILE A 113 5.058 -4.283 7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.332 -4.072 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 113 2.911 -4.170 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 113 2.987 -3.505 8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.428 -2.709 9.241 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.381 -1.832 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.621 -2.479 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.629 -1.720 6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.071 -1.621 5.056 1.00 0.00 H new ATOM 1800 N LYS A 114 6.873 -2.805 8.992 1.00 0.00 N ATOM 1801 CA LYS A 114 7.524 -2.479 10.258 1.00 0.00 C ATOM 1802 C LYS A 114 8.729 -1.562 10.028 1.00 0.00 C ATOM 1803 O LYS A 114 9.230 -0.935 10.961 1.00 0.00 O ATOM 1804 CB LYS A 114 7.968 -3.760 10.971 1.00 0.00 C ATOM 1805 CG LYS A 114 8.801 -3.512 12.219 1.00 0.00 C ATOM 1806 CD LYS A 114 10.292 -3.556 11.911 1.00 0.00 C ATOM 1807 CE LYS A 114 11.019 -2.338 12.463 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.927 -2.696 13.589 1.00 0.00 N ATOM 0 H LYS A 114 6.797 -3.805 8.804 1.00 0.00 H new ATOM 0 HA LYS A 114 6.805 -1.954 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.085 -4.337 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.545 -4.370 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.544 -2.541 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.562 -4.262 12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.725 -4.461 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.439 -3.609 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.596 -1.868 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.289 -1.604 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.403 -1.839 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.373 -3.121 14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.639 -3.377 13.257 1.00 0.00 H new ATOM 1822 N HIS A 115 9.169 -1.468 8.774 1.00 0.00 N ATOM 1823 CA HIS A 115 10.286 -0.607 8.419 1.00 0.00 C ATOM 1824 C HIS A 115 9.772 0.786 8.073 1.00 0.00 C ATOM 1825 O HIS A 115 10.449 1.788 8.300 1.00 0.00 O ATOM 1826 CB HIS A 115 11.062 -1.192 7.243 1.00 0.00 C ATOM 1827 CG HIS A 115 12.518 -0.842 7.252 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.255 -0.657 6.102 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.374 -0.645 8.282 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.502 -0.362 6.424 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.601 -0.349 7.739 1.00 0.00 N ATOM 0 H HIS A 115 8.766 -1.980 7.989 1.00 0.00 H new ATOM 0 HA HIS A 115 10.961 -0.537 9.272 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.958 -2.277 7.253 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.617 -0.838 6.313 1.00 0.00 H new ATOM 0 HD1 HIS A 115 12.894 -0.736 5.151 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.137 -0.709 9.334 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.304 -0.165 5.728 1.00 0.00 H new ATOM 1840 N ALA A 116 8.555 0.833 7.535 1.00 0.00 N ATOM 1841 CA ALA A 116 7.919 2.091 7.167 1.00 0.00 C ATOM 1842 C ALA A 116 7.334 2.771 8.400 1.00 0.00 C ATOM 1843 O ALA A 116 7.318 3.998 8.501 1.00 0.00 O ATOM 1844 CB ALA A 116 6.830 1.842 6.135 1.00 0.00 C ATOM 0 H ALA A 116 7.988 0.007 7.344 1.00 0.00 H new ATOM 0 HA ALA A 116 8.671 2.750 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.360 2.788 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.268 1.389 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.080 1.170 6.552 1.00 0.00 H new ATOM 1850 N PHE A 117 6.855 1.957 9.336 1.00 0.00 N ATOM 1851 CA PHE A 117 6.265 2.460 10.570 1.00 0.00 C ATOM 1852 C PHE A 117 7.329 3.070 11.481 1.00 0.00 C ATOM 1853 O PHE A 117 7.042 3.976 12.264 1.00 0.00 O ATOM 1854 CB PHE A 117 5.549 1.327 11.308 1.00 0.00 C ATOM 1855 CG PHE A 117 4.141 1.088 10.841 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.200 2.102 10.892 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.758 -0.153 10.357 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.903 1.885 10.470 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.461 -0.377 9.932 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.533 0.645 9.990 1.00 0.00 C ATOM 0 H PHE A 117 6.865 0.940 9.261 1.00 0.00 H new ATOM 0 HA PHE A 117 5.548 3.237 10.307 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.122 0.408 11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.534 1.554 12.374 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.484 3.075 11.266 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.481 -0.954 10.311 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.179 2.685 10.516 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.174 -1.348 9.556 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.519 0.474 9.660 1.00 0.00 H new ATOM 1870 N GLU A 118 8.553 2.559 11.386 1.00 0.00 N ATOM 1871 CA GLU A 118 9.650 3.046 12.215 1.00 0.00 C ATOM 1872 C GLU A 118 10.542 4.027 11.457 1.00 0.00 C ATOM 1873 O GLU A 118 11.056 4.983 12.038 1.00 0.00 O ATOM 1874 CB GLU A 118 10.480 1.874 12.727 1.00 0.00 C ATOM 1875 CG GLU A 118 10.460 1.730 14.240 1.00 0.00 C ATOM 1876 CD GLU A 118 11.464 2.636 14.925 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.450 3.032 14.269 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.263 2.950 16.118 1.00 0.00 O ATOM 0 H GLU A 118 8.810 1.809 10.744 1.00 0.00 H new ATOM 0 HA GLU A 118 9.214 3.579 13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.109 0.953 12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.511 1.997 12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.460 1.957 14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.671 0.694 14.506 1.00 0.00 H new ATOM 1885 N GLU A 119 10.731 3.786 10.163 1.00 0.00 N ATOM 1886 CA GLU A 119 11.572 4.654 9.345 1.00 0.00 C ATOM 1887 C GLU A 119 10.758 5.765 8.684 1.00 0.00 C ATOM 1888 O GLU A 119 11.203 6.376 7.713 1.00 0.00 O ATOM 1889 CB GLU A 119 12.299 3.839 8.274 1.00 0.00 C ATOM 1890 CG GLU A 119 13.001 2.606 8.820 1.00 0.00 C ATOM 1891 CD GLU A 119 14.511 2.717 8.757 1.00 0.00 C ATOM 1892 OE1 GLU A 119 15.018 3.412 7.850 1.00 0.00 O ATOM 1893 OE2 GLU A 119 15.188 2.109 9.613 1.00 0.00 O ATOM 0 H GLU A 119 10.316 3.001 9.660 1.00 0.00 H new ATOM 0 HA GLU A 119 12.304 5.117 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.581 3.531 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.033 4.476 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.695 2.447 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.681 1.731 8.255 1.00 0.00 H new ATOM 1900 N TYR A 120 9.567 6.029 9.214 1.00 0.00 N ATOM 1901 CA TYR A 120 8.706 7.069 8.668 1.00 0.00 C ATOM 1902 C TYR A 120 7.756 7.602 9.735 1.00 0.00 C ATOM 1903 O TYR A 120 6.593 7.895 9.455 1.00 0.00 O ATOM 1904 CB TYR A 120 7.913 6.528 7.479 1.00 0.00 C ATOM 1905 CG TYR A 120 7.863 7.477 6.304 1.00 0.00 C ATOM 1906 CD1 TYR A 120 7.201 8.695 6.398 1.00 0.00 C ATOM 1907 CD2 TYR A 120 8.480 7.156 5.100 1.00 0.00 C ATOM 1908 CE1 TYR A 120 7.154 9.566 5.326 1.00 0.00 C ATOM 1909 CE2 TYR A 120 8.437 8.022 4.025 1.00 0.00 C ATOM 1910 CZ TYR A 120 7.773 9.225 4.142 1.00 0.00 C ATOM 1911 OH TYR A 120 7.729 10.089 3.072 1.00 0.00 O ATOM 0 H TYR A 120 9.178 5.538 10.019 1.00 0.00 H new ATOM 0 HA TYR A 120 9.336 7.891 8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.356 5.586 7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.895 6.308 7.801 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.715 8.965 7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 120 9.001 6.215 5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.635 10.509 5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.921 7.758 3.096 1.00 0.00 H new ATOM 0 HH TYR A 120 8.215 9.698 2.316 1.00 0.00 H new ATOM 1921 N SER A 121 8.257 7.725 10.959 1.00 0.00 N ATOM 1922 CA SER A 121 7.454 8.222 12.069 1.00 0.00 C ATOM 1923 C SER A 121 8.326 8.951 13.087 1.00 0.00 C ATOM 1924 O SER A 121 8.538 10.159 12.986 1.00 0.00 O ATOM 1925 CB SER A 121 6.713 7.069 12.748 1.00 0.00 C ATOM 1926 OG SER A 121 5.422 7.469 13.170 1.00 0.00 O ATOM 0 H SER A 121 9.217 7.487 11.208 1.00 0.00 H new ATOM 0 HA SER A 121 6.725 8.927 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.629 6.230 12.057 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.287 6.719 13.606 1.00 0.00 H new ATOM 0 HG SER A 121 4.969 6.713 13.599 1.00 0.00 H new TER 1932 SER A 121