USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 733 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 28 THR OG1 : rot 180:sc= 0.112 USER MOD Set 1.2: A 41 MET CE :methyl -137:sc= -0.0286 (180deg=-0.346) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -0.448 USER MOD Set 2.2: A 33 ASN : amide:sc= -8.07! C(o=-8.5!,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.512! USER MOD Single : A 10 MET CE :methyl -130:sc= 0 (180deg=-0.233) USER MOD Single : A 12 LYS NZ :NH3+ 146:sc= -0.104 (180deg=-0.83) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.6) USER MOD Single : A 34 TYR OH : rot 130:sc= -2.5! USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 63:sc= 0.00427 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.24) USER MOD Single : A 58 ASN : amide:sc= -0.412 K(o=-0.41,f=-4.1!) USER MOD Single : A 70 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.026) USER MOD Single : A 71 GLN : amide:sc= -0.827 K(o=-0.83,f=-0.027) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -131:sc= 0.849 (180deg=-0.22) USER MOD Single : A 86 ASN : amide:sc= -1.58! C(o=-1.6!,f=-10!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.0377 (180deg=-0.456) USER MOD Single : A 96 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 98 THR OG1 : rot -72:sc= -3.21! USER MOD Single : A 100 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 62.018 0.520 -23.850 1.00 0.00 N ATOM 2 CA GLY A 1 63.465 0.562 -23.487 1.00 0.00 C ATOM 3 C GLY A 1 63.719 -0.376 -22.308 1.00 0.00 C ATOM 4 O GLY A 1 64.267 0.033 -21.283 1.00 0.00 O ATOM 0 H1 GLY A 1 61.843 1.158 -24.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 61.755 -0.451 -24.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 61.447 0.823 -23.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 64.074 0.265 -24.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 63.757 1.579 -23.226 1.00 0.00 H new ATOM 10 N ALA A 2 63.301 -1.632 -22.470 1.00 0.00 N ATOM 11 CA ALA A 2 63.458 -2.657 -21.432 1.00 0.00 C ATOM 12 C ALA A 2 62.584 -2.353 -20.219 1.00 0.00 C ATOM 13 O ALA A 2 62.637 -1.257 -19.661 1.00 0.00 O ATOM 14 CB ALA A 2 64.920 -2.782 -20.995 1.00 0.00 C ATOM 0 H ALA A 2 62.846 -1.968 -23.319 1.00 0.00 H new ATOM 0 HA ALA A 2 63.139 -3.605 -21.865 1.00 0.00 H new ATOM 0 HB1 ALA A 2 65.005 -3.549 -20.225 1.00 0.00 H new ATOM 0 HB2 ALA A 2 65.534 -3.059 -21.852 1.00 0.00 H new ATOM 0 HB3 ALA A 2 65.263 -1.828 -20.596 1.00 0.00 H new ATOM 20 N MET A 3 61.752 -3.334 -19.853 1.00 0.00 N ATOM 21 CA MET A 3 60.813 -3.195 -18.731 1.00 0.00 C ATOM 22 C MET A 3 61.381 -2.278 -17.638 1.00 0.00 C ATOM 23 O MET A 3 62.023 -2.735 -16.691 1.00 0.00 O ATOM 24 CB MET A 3 60.476 -4.590 -18.135 1.00 0.00 C ATOM 25 CG MET A 3 60.645 -5.695 -19.197 1.00 0.00 C ATOM 26 SD MET A 3 62.340 -6.329 -19.143 1.00 0.00 S ATOM 27 CE MET A 3 62.368 -7.043 -20.804 1.00 0.00 C ATOM 0 H MET A 3 61.709 -4.240 -20.320 1.00 0.00 H new ATOM 0 HA MET A 3 59.900 -2.739 -19.114 1.00 0.00 H new ATOM 0 HB2 MET A 3 61.127 -4.794 -17.285 1.00 0.00 H new ATOM 0 HB3 MET A 3 59.452 -4.593 -17.761 1.00 0.00 H new ATOM 0 HG2 MET A 3 59.937 -6.503 -19.013 1.00 0.00 H new ATOM 0 HG3 MET A 3 60.425 -5.298 -20.188 1.00 0.00 H new ATOM 0 HE1 MET A 3 63.341 -7.498 -20.988 1.00 0.00 H new ATOM 0 HE2 MET A 3 61.591 -7.803 -20.887 1.00 0.00 H new ATOM 0 HE3 MET A 3 62.189 -6.259 -21.540 1.00 0.00 H new ATOM 37 N GLY A 4 61.137 -0.975 -17.786 1.00 0.00 N ATOM 38 CA GLY A 4 61.622 0.019 -16.823 1.00 0.00 C ATOM 39 C GLY A 4 60.455 0.764 -16.187 1.00 0.00 C ATOM 40 O GLY A 4 60.474 1.990 -16.086 1.00 0.00 O ATOM 0 H GLY A 4 60.606 -0.582 -18.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 62.211 -0.474 -16.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 62.282 0.727 -17.324 1.00 0.00 H new ATOM 44 N SER A 5 59.422 0.022 -15.794 1.00 0.00 N ATOM 45 CA SER A 5 58.235 0.633 -15.204 1.00 0.00 C ATOM 46 C SER A 5 57.823 1.860 -16.018 1.00 0.00 C ATOM 47 O SER A 5 57.362 1.720 -17.150 1.00 0.00 O ATOM 48 CB SER A 5 58.510 1.033 -13.753 1.00 0.00 C ATOM 49 OG SER A 5 57.470 1.888 -13.298 1.00 0.00 O ATOM 0 H SER A 5 59.383 -0.994 -15.873 1.00 0.00 H new ATOM 0 HA SER A 5 57.422 -0.092 -15.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 58.568 0.145 -13.123 1.00 0.00 H new ATOM 0 HB3 SER A 5 59.472 1.540 -13.679 1.00 0.00 H new ATOM 0 HG SER A 5 57.641 2.145 -12.368 1.00 0.00 H new ATOM 55 N CYS A 6 58.035 3.050 -15.439 1.00 0.00 N ATOM 56 CA CYS A 6 57.728 4.337 -16.093 1.00 0.00 C ATOM 57 C CYS A 6 56.821 4.188 -17.313 1.00 0.00 C ATOM 58 O CYS A 6 57.259 3.727 -18.367 1.00 0.00 O ATOM 59 CB CYS A 6 59.023 5.013 -16.531 1.00 0.00 C ATOM 60 SG CYS A 6 60.131 5.161 -15.113 1.00 0.00 S ATOM 0 H CYS A 6 58.425 3.151 -14.502 1.00 0.00 H new ATOM 0 HA CYS A 6 57.197 4.940 -15.356 1.00 0.00 H new ATOM 0 HB2 CYS A 6 59.500 4.432 -17.320 1.00 0.00 H new ATOM 0 HB3 CYS A 6 58.810 5.999 -16.945 1.00 0.00 H new ATOM 65 N ARG A 7 55.562 4.607 -17.168 1.00 0.00 N ATOM 66 CA ARG A 7 54.596 4.526 -18.274 1.00 0.00 C ATOM 67 C ARG A 7 54.094 5.920 -18.699 1.00 0.00 C ATOM 68 O ARG A 7 53.978 6.179 -19.895 1.00 0.00 O ATOM 69 CB ARG A 7 53.401 3.616 -17.879 1.00 0.00 C ATOM 70 CG ARG A 7 53.704 2.104 -18.160 1.00 0.00 C ATOM 71 CD ARG A 7 52.576 1.419 -18.982 1.00 0.00 C ATOM 72 NE ARG A 7 52.111 0.226 -18.289 1.00 0.00 N ATOM 73 CZ ARG A 7 51.246 -0.601 -18.866 1.00 0.00 C ATOM 74 NH1 ARG A 7 50.817 -0.351 -20.072 1.00 0.00 N ATOM 75 NH2 ARG A 7 50.826 -1.659 -18.229 1.00 0.00 N1+ ATOM 0 H ARG A 7 55.187 5.003 -16.306 1.00 0.00 H new ATOM 0 HA ARG A 7 55.110 4.088 -19.130 1.00 0.00 H new ATOM 0 HB2 ARG A 7 53.175 3.751 -16.821 1.00 0.00 H new ATOM 0 HB3 ARG A 7 52.514 3.919 -18.436 1.00 0.00 H new ATOM 0 HG2 ARG A 7 54.647 2.019 -18.700 1.00 0.00 H new ATOM 0 HG3 ARG A 7 53.831 1.579 -17.213 1.00 0.00 H new ATOM 0 HD2 ARG A 7 51.747 2.112 -19.126 1.00 0.00 H new ATOM 0 HD3 ARG A 7 52.946 1.154 -19.972 1.00 0.00 H new ATOM 0 HE ARG A 7 52.453 0.023 -17.350 1.00 0.00 H new ATOM 0 HH11 ARG A 7 51.146 0.477 -20.569 1.00 0.00 H new ATOM 0 HH12 ARG A 7 50.153 -0.984 -20.518 1.00 0.00 H new ATOM 0 HH21 ARG A 7 51.162 -1.853 -17.286 1.00 0.00 H new ATOM 0 HH22 ARG A 7 50.162 -2.292 -18.674 1.00 0.00 H new ATOM 89 N PRO A 8 53.787 6.820 -17.787 1.00 0.00 N ATOM 90 CA PRO A 8 53.289 8.171 -18.143 1.00 0.00 C ATOM 91 C PRO A 8 54.437 9.196 -18.188 1.00 0.00 C ATOM 92 O PRO A 8 55.374 9.087 -17.396 1.00 0.00 O ATOM 93 CB PRO A 8 52.299 8.478 -17.002 1.00 0.00 C ATOM 94 CG PRO A 8 52.704 7.583 -15.843 1.00 0.00 C ATOM 95 CD PRO A 8 53.865 6.695 -16.331 1.00 0.00 C ATOM 0 HA PRO A 8 52.832 8.219 -19.132 1.00 0.00 H new ATOM 0 HB2 PRO A 8 52.345 9.529 -16.718 1.00 0.00 H new ATOM 0 HB3 PRO A 8 51.273 8.276 -17.311 1.00 0.00 H new ATOM 0 HG2 PRO A 8 53.012 8.181 -14.986 1.00 0.00 H new ATOM 0 HG3 PRO A 8 51.863 6.971 -15.518 1.00 0.00 H new ATOM 0 HD2 PRO A 8 54.825 7.040 -15.947 1.00 0.00 H new ATOM 0 HD3 PRO A 8 53.745 5.661 -16.008 1.00 0.00 H new ATOM 103 N PRO A 9 54.410 10.190 -19.062 1.00 0.00 N ATOM 104 CA PRO A 9 55.509 11.206 -19.113 1.00 0.00 C ATOM 105 C PRO A 9 55.512 12.071 -17.847 1.00 0.00 C ATOM 106 O PRO A 9 54.450 12.493 -17.391 1.00 0.00 O ATOM 107 CB PRO A 9 55.186 12.055 -20.369 1.00 0.00 C ATOM 108 CG PRO A 9 54.138 11.292 -21.119 1.00 0.00 C ATOM 109 CD PRO A 9 53.373 10.482 -20.077 1.00 0.00 C ATOM 0 HA PRO A 9 56.498 10.750 -19.165 1.00 0.00 H new ATOM 0 HB2 PRO A 9 54.824 13.045 -20.090 1.00 0.00 H new ATOM 0 HB3 PRO A 9 56.076 12.202 -20.981 1.00 0.00 H new ATOM 0 HG2 PRO A 9 53.471 11.969 -21.652 1.00 0.00 H new ATOM 0 HG3 PRO A 9 54.591 10.638 -21.864 1.00 0.00 H new ATOM 0 HD2 PRO A 9 52.542 11.048 -19.655 1.00 0.00 H new ATOM 0 HD3 PRO A 9 52.954 9.570 -20.502 1.00 0.00 H new ATOM 117 N MET A 10 56.695 12.380 -17.309 1.00 0.00 N ATOM 118 CA MET A 10 56.791 13.255 -16.132 1.00 0.00 C ATOM 119 C MET A 10 57.881 14.303 -16.362 1.00 0.00 C ATOM 120 O MET A 10 57.618 15.507 -16.373 1.00 0.00 O ATOM 121 CB MET A 10 57.095 12.403 -14.864 1.00 0.00 C ATOM 122 CG MET A 10 56.024 12.619 -13.773 1.00 0.00 C ATOM 123 SD MET A 10 54.553 11.619 -14.150 1.00 0.00 S ATOM 124 CE MET A 10 55.099 10.019 -13.480 1.00 0.00 C ATOM 0 H MET A 10 57.591 12.043 -17.662 1.00 0.00 H new ATOM 0 HA MET A 10 55.843 13.770 -15.978 1.00 0.00 H new ATOM 0 HB2 MET A 10 57.135 11.348 -15.133 1.00 0.00 H new ATOM 0 HB3 MET A 10 58.076 12.669 -14.471 1.00 0.00 H new ATOM 0 HG2 MET A 10 56.424 12.342 -12.798 1.00 0.00 H new ATOM 0 HG3 MET A 10 55.754 13.674 -13.719 1.00 0.00 H new ATOM 0 HE1 MET A 10 54.941 9.239 -14.225 1.00 0.00 H new ATOM 0 HE2 MET A 10 56.159 10.072 -13.230 1.00 0.00 H new ATOM 0 HE3 MET A 10 54.525 9.785 -12.583 1.00 0.00 H new ATOM 134 N VAL A 11 59.111 13.821 -16.549 1.00 0.00 N ATOM 135 CA VAL A 11 60.259 14.692 -16.786 1.00 0.00 C ATOM 136 C VAL A 11 60.573 14.755 -18.273 1.00 0.00 C ATOM 137 O VAL A 11 61.280 13.900 -18.806 1.00 0.00 O ATOM 138 CB VAL A 11 61.472 14.141 -16.030 1.00 0.00 C ATOM 139 CG1 VAL A 11 62.605 15.173 -16.093 1.00 0.00 C ATOM 140 CG2 VAL A 11 61.086 13.845 -14.548 1.00 0.00 C ATOM 0 H VAL A 11 59.336 12.826 -16.540 1.00 0.00 H new ATOM 0 HA VAL A 11 60.026 15.696 -16.433 1.00 0.00 H new ATOM 0 HB VAL A 11 61.804 13.210 -16.489 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.475 14.792 -15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 11 62.872 15.358 -17.134 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.275 16.104 -15.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 61.954 13.454 -14.017 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.752 14.765 -14.068 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.282 13.109 -14.521 1.00 0.00 H new ATOM 150 N LYS A 12 60.007 15.750 -18.950 1.00 0.00 N ATOM 151 CA LYS A 12 60.192 15.890 -20.390 1.00 0.00 C ATOM 152 C LYS A 12 61.660 16.174 -20.729 1.00 0.00 C ATOM 153 O LYS A 12 62.080 17.329 -20.824 1.00 0.00 O ATOM 154 CB LYS A 12 59.269 17.013 -20.956 1.00 0.00 C ATOM 155 CG LYS A 12 58.358 17.570 -19.850 1.00 0.00 C ATOM 156 CD LYS A 12 59.185 18.416 -18.840 1.00 0.00 C ATOM 157 CE LYS A 12 58.858 19.907 -18.993 1.00 0.00 C ATOM 158 NZ LYS A 12 57.415 20.131 -18.691 1.00 0.00 N1+ ATOM 0 H LYS A 12 59.419 16.468 -18.527 1.00 0.00 H new ATOM 0 HA LYS A 12 59.913 14.947 -20.860 1.00 0.00 H new ATOM 0 HB2 LYS A 12 59.877 17.816 -21.373 1.00 0.00 H new ATOM 0 HB3 LYS A 12 58.662 16.617 -21.770 1.00 0.00 H new ATOM 0 HG2 LYS A 12 57.573 18.184 -20.292 1.00 0.00 H new ATOM 0 HG3 LYS A 12 57.865 16.749 -19.329 1.00 0.00 H new ATOM 0 HD2 LYS A 12 58.967 18.093 -17.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 60.250 18.252 -19.006 1.00 0.00 H new ATOM 0 HE2 LYS A 12 59.478 20.498 -18.319 1.00 0.00 H new ATOM 0 HE3 LYS A 12 59.084 20.238 -20.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 57.295 21.059 -18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 56.867 20.105 -19.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 57.075 19.386 -18.051 1.00 0.00 H new ATOM 172 N LEU A 13 62.423 15.103 -20.972 1.00 0.00 N ATOM 173 CA LEU A 13 63.824 15.227 -21.387 1.00 0.00 C ATOM 174 C LEU A 13 63.957 14.686 -22.805 1.00 0.00 C ATOM 175 O LEU A 13 63.927 13.475 -23.026 1.00 0.00 O ATOM 176 CB LEU A 13 64.751 14.442 -20.427 1.00 0.00 C ATOM 177 CG LEU A 13 65.192 15.329 -19.240 1.00 0.00 C ATOM 178 CD1 LEU A 13 65.725 14.442 -18.090 1.00 0.00 C ATOM 179 CD2 LEU A 13 66.302 16.305 -19.688 1.00 0.00 C ATOM 0 H LEU A 13 62.094 14.141 -20.888 1.00 0.00 H new ATOM 0 HA LEU A 13 64.122 16.275 -21.356 1.00 0.00 H new ATOM 0 HB2 LEU A 13 64.232 13.559 -20.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 65.629 14.090 -20.969 1.00 0.00 H new ATOM 0 HG LEU A 13 64.331 15.899 -18.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 66.034 15.073 -17.257 1.00 0.00 H new ATOM 0 HD12 LEU A 13 64.938 13.764 -17.759 1.00 0.00 H new ATOM 0 HD13 LEU A 13 66.579 13.863 -18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 66.604 16.924 -18.844 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.161 15.739 -20.049 1.00 0.00 H new ATOM 0 HD23 LEU A 13 65.925 16.942 -20.488 1.00 0.00 H new ATOM 191 N VAL A 14 64.087 15.596 -23.768 1.00 0.00 N ATOM 192 CA VAL A 14 64.202 15.206 -25.169 1.00 0.00 C ATOM 193 C VAL A 14 65.671 15.023 -25.546 1.00 0.00 C ATOM 194 O VAL A 14 66.476 15.946 -25.435 1.00 0.00 O ATOM 195 CB VAL A 14 63.545 16.274 -26.052 1.00 0.00 C ATOM 196 CG1 VAL A 14 63.895 16.031 -27.524 1.00 0.00 C ATOM 197 CG2 VAL A 14 62.021 16.208 -25.877 1.00 0.00 C ATOM 0 H VAL A 14 64.115 16.602 -23.604 1.00 0.00 H new ATOM 0 HA VAL A 14 63.691 14.256 -25.324 1.00 0.00 H new ATOM 0 HB VAL A 14 63.912 17.257 -25.756 1.00 0.00 H new ATOM 0 HG11 VAL A 14 63.423 16.795 -28.141 1.00 0.00 H new ATOM 0 HG12 VAL A 14 64.976 16.077 -27.653 1.00 0.00 H new ATOM 0 HG13 VAL A 14 63.535 15.047 -27.826 1.00 0.00 H new ATOM 0 HG21 VAL A 14 61.550 16.966 -26.503 1.00 0.00 H new ATOM 0 HG22 VAL A 14 61.663 15.221 -26.171 1.00 0.00 H new ATOM 0 HG23 VAL A 14 61.766 16.390 -24.833 1.00 0.00 H new ATOM 207 N CYS A 15 66.010 13.806 -25.962 1.00 0.00 N ATOM 208 CA CYS A 15 67.388 13.488 -26.327 1.00 0.00 C ATOM 209 C CYS A 15 67.851 14.411 -27.470 1.00 0.00 C ATOM 210 O CYS A 15 67.101 14.611 -28.424 1.00 0.00 O ATOM 211 CB CYS A 15 67.481 12.007 -26.760 1.00 0.00 C ATOM 212 SG CYS A 15 68.160 11.007 -25.408 1.00 0.00 S ATOM 0 H CYS A 15 65.356 13.029 -26.055 1.00 0.00 H new ATOM 0 HA CYS A 15 68.038 13.645 -25.466 1.00 0.00 H new ATOM 0 HB2 CYS A 15 66.493 11.638 -27.036 1.00 0.00 H new ATOM 0 HB3 CYS A 15 68.113 11.917 -27.643 1.00 0.00 H new ATOM 217 N PRO A 16 69.051 14.972 -27.432 1.00 0.00 N ATOM 218 CA PRO A 16 69.525 15.856 -28.546 1.00 0.00 C ATOM 219 C PRO A 16 69.476 15.124 -29.894 1.00 0.00 C ATOM 220 O PRO A 16 70.021 14.029 -30.028 1.00 0.00 O ATOM 221 CB PRO A 16 70.971 16.203 -28.152 1.00 0.00 C ATOM 222 CG PRO A 16 71.033 16.005 -26.677 1.00 0.00 C ATOM 223 CD PRO A 16 70.082 14.850 -26.372 1.00 0.00 C ATOM 0 HA PRO A 16 68.902 16.741 -28.673 1.00 0.00 H new ATOM 0 HB2 PRO A 16 71.684 15.559 -28.666 1.00 0.00 H new ATOM 0 HB3 PRO A 16 71.217 17.230 -28.422 1.00 0.00 H new ATOM 0 HG2 PRO A 16 72.048 15.771 -26.356 1.00 0.00 H new ATOM 0 HG3 PRO A 16 70.732 16.909 -26.148 1.00 0.00 H new ATOM 0 HD2 PRO A 16 70.591 13.887 -26.414 1.00 0.00 H new ATOM 0 HD3 PRO A 16 69.648 14.938 -25.376 1.00 0.00 H new ATOM 231 N ALA A 17 68.817 15.727 -30.879 1.00 0.00 N ATOM 232 CA ALA A 17 68.696 15.099 -32.195 1.00 0.00 C ATOM 233 C ALA A 17 69.984 15.241 -33.001 1.00 0.00 C ATOM 234 O ALA A 17 70.551 14.248 -33.453 1.00 0.00 O ATOM 235 CB ALA A 17 67.528 15.731 -32.961 1.00 0.00 C ATOM 0 H ALA A 17 68.364 16.637 -30.796 1.00 0.00 H new ATOM 0 HA ALA A 17 68.508 14.035 -32.049 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.439 15.262 -33.941 1.00 0.00 H new ATOM 0 HB2 ALA A 17 66.604 15.582 -32.403 1.00 0.00 H new ATOM 0 HB3 ALA A 17 67.709 16.799 -33.085 1.00 0.00 H new ATOM 241 N ASP A 18 70.424 16.478 -33.210 1.00 0.00 N ATOM 242 CA ASP A 18 71.632 16.729 -33.992 1.00 0.00 C ATOM 243 C ASP A 18 72.890 16.536 -33.135 1.00 0.00 C ATOM 244 O ASP A 18 74.012 16.694 -33.620 1.00 0.00 O ATOM 245 CB ASP A 18 71.574 18.152 -34.593 1.00 0.00 C ATOM 246 CG ASP A 18 70.911 18.128 -35.975 1.00 0.00 C ATOM 247 OD1 ASP A 18 69.734 17.810 -36.043 1.00 0.00 O1- ATOM 248 OD2 ASP A 18 71.593 18.424 -36.943 1.00 0.00 O ATOM 0 H ASP A 18 69.967 17.317 -32.852 1.00 0.00 H new ATOM 0 HA ASP A 18 71.684 16.008 -34.808 1.00 0.00 H new ATOM 0 HB2 ASP A 18 71.016 18.811 -33.928 1.00 0.00 H new ATOM 0 HB3 ASP A 18 72.582 18.560 -34.674 1.00 0.00 H new ATOM 253 N ASN A 19 72.694 16.132 -31.884 1.00 0.00 N ATOM 254 CA ASN A 19 73.813 15.839 -30.984 1.00 0.00 C ATOM 255 C ASN A 19 74.738 17.052 -30.792 1.00 0.00 C ATOM 256 O ASN A 19 75.959 16.909 -30.714 1.00 0.00 O ATOM 257 CB ASN A 19 74.587 14.608 -31.532 1.00 0.00 C ATOM 258 CG ASN A 19 74.456 13.412 -30.583 1.00 0.00 C ATOM 259 OD1 ASN A 19 75.363 13.134 -29.799 1.00 0.00 O ATOM 260 ND2 ASN A 19 73.365 12.694 -30.608 1.00 0.00 N ATOM 0 H ASN A 19 71.773 15.999 -31.467 1.00 0.00 H new ATOM 0 HA ASN A 19 73.418 15.608 -29.995 1.00 0.00 H new ATOM 0 HB2 ASN A 19 74.202 14.340 -32.516 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.639 14.862 -31.660 1.00 0.00 H new ATOM 0 HD21 ASN A 19 73.263 11.900 -29.976 1.00 0.00 H new ATOM 0 HD22 ASN A 19 72.616 12.928 -31.259 1.00 0.00 H new ATOM 267 N LEU A 20 74.154 18.241 -30.663 1.00 0.00 N ATOM 268 CA LEU A 20 74.950 19.447 -30.425 1.00 0.00 C ATOM 269 C LEU A 20 75.190 19.612 -28.919 1.00 0.00 C ATOM 270 O LEU A 20 76.140 20.271 -28.491 1.00 0.00 O ATOM 271 CB LEU A 20 74.232 20.716 -30.935 1.00 0.00 C ATOM 272 CG LEU A 20 73.563 20.460 -32.319 1.00 0.00 C ATOM 273 CD1 LEU A 20 72.329 21.367 -32.506 1.00 0.00 C ATOM 274 CD2 LEU A 20 74.572 20.731 -33.458 1.00 0.00 C ATOM 0 H LEU A 20 73.147 18.397 -30.718 1.00 0.00 H new ATOM 0 HA LEU A 20 75.890 19.330 -30.965 1.00 0.00 H new ATOM 0 HB2 LEU A 20 73.476 21.026 -30.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 74.947 21.534 -31.018 1.00 0.00 H new ATOM 0 HG LEU A 20 73.246 19.418 -32.353 1.00 0.00 H new ATOM 0 HD11 LEU A 20 71.878 21.171 -33.479 1.00 0.00 H new ATOM 0 HD12 LEU A 20 71.602 21.159 -31.721 1.00 0.00 H new ATOM 0 HD13 LEU A 20 72.634 22.412 -32.451 1.00 0.00 H new ATOM 0 HD21 LEU A 20 74.093 20.549 -34.420 1.00 0.00 H new ATOM 0 HD22 LEU A 20 74.906 21.768 -33.410 1.00 0.00 H new ATOM 0 HD23 LEU A 20 75.430 20.068 -33.349 1.00 0.00 H new ATOM 286 N ARG A 21 74.257 19.076 -28.128 1.00 0.00 N ATOM 287 CA ARG A 21 74.289 19.233 -26.669 1.00 0.00 C ATOM 288 C ARG A 21 74.925 18.027 -25.985 1.00 0.00 C ATOM 289 O ARG A 21 74.400 17.528 -24.992 1.00 0.00 O ATOM 290 CB ARG A 21 72.860 19.453 -26.139 1.00 0.00 C ATOM 291 CG ARG A 21 72.869 19.658 -24.600 1.00 0.00 C ATOM 292 CD ARG A 21 71.807 20.689 -24.191 1.00 0.00 C ATOM 293 NE ARG A 21 70.529 20.390 -24.837 1.00 0.00 N ATOM 294 CZ ARG A 21 69.621 19.600 -24.266 1.00 0.00 C ATOM 295 NH1 ARG A 21 69.838 19.082 -23.086 1.00 0.00 N ATOM 296 NH2 ARG A 21 68.503 19.349 -24.890 1.00 0.00 N1+ ATOM 0 H ARG A 21 73.468 18.528 -28.473 1.00 0.00 H new ATOM 0 HA ARG A 21 74.903 20.103 -26.437 1.00 0.00 H new ATOM 0 HB2 ARG A 21 72.417 20.323 -26.624 1.00 0.00 H new ATOM 0 HB3 ARG A 21 72.237 18.595 -26.393 1.00 0.00 H new ATOM 0 HG2 ARG A 21 72.676 18.709 -24.099 1.00 0.00 H new ATOM 0 HG3 ARG A 21 73.854 19.994 -24.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 71.684 20.684 -23.108 1.00 0.00 H new ATOM 0 HD3 ARG A 21 72.137 21.690 -24.469 1.00 0.00 H new ATOM 0 HE ARG A 21 70.328 20.798 -25.750 1.00 0.00 H new ATOM 0 HH11 ARG A 21 70.709 19.281 -22.594 1.00 0.00 H new ATOM 0 HH12 ARG A 21 69.137 18.478 -22.657 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.329 19.757 -25.809 1.00 0.00 H new ATOM 0 HH22 ARG A 21 67.803 18.745 -24.459 1.00 0.00 H new ATOM 310 N ALA A 22 76.048 17.557 -26.537 1.00 0.00 N ATOM 311 CA ALA A 22 76.763 16.397 -25.980 1.00 0.00 C ATOM 312 C ALA A 22 76.549 16.284 -24.466 1.00 0.00 C ATOM 313 O ALA A 22 76.685 17.268 -23.738 1.00 0.00 O ATOM 314 CB ALA A 22 78.270 16.522 -26.282 1.00 0.00 C ATOM 0 H ALA A 22 76.483 17.959 -27.367 1.00 0.00 H new ATOM 0 HA ALA A 22 76.365 15.497 -26.448 1.00 0.00 H new ATOM 0 HB1 ALA A 22 78.797 15.662 -25.868 1.00 0.00 H new ATOM 0 HB2 ALA A 22 78.423 16.557 -27.361 1.00 0.00 H new ATOM 0 HB3 ALA A 22 78.657 17.436 -25.831 1.00 0.00 H new ATOM 320 N GLU A 23 76.180 15.097 -24.011 1.00 0.00 N ATOM 321 CA GLU A 23 75.914 14.886 -22.593 1.00 0.00 C ATOM 322 C GLU A 23 77.214 14.893 -21.787 1.00 0.00 C ATOM 323 O GLU A 23 77.300 15.525 -20.735 1.00 0.00 O ATOM 324 CB GLU A 23 75.186 13.549 -22.383 1.00 0.00 C ATOM 325 CG GLU A 23 74.011 13.384 -23.394 1.00 0.00 C ATOM 326 CD GLU A 23 72.657 13.523 -22.697 1.00 0.00 C ATOM 327 OE1 GLU A 23 72.338 14.625 -22.282 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 71.961 12.526 -22.594 1.00 0.00 O ATOM 0 H GLU A 23 76.058 14.270 -24.596 1.00 0.00 H new ATOM 0 HA GLU A 23 75.282 15.702 -22.243 1.00 0.00 H new ATOM 0 HB2 GLU A 23 75.890 12.726 -22.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 74.803 13.496 -21.364 1.00 0.00 H new ATOM 0 HG2 GLU A 23 74.097 14.134 -24.180 1.00 0.00 H new ATOM 0 HG3 GLU A 23 74.077 12.408 -23.875 1.00 0.00 H new ATOM 335 N GLY A 24 78.224 14.184 -22.294 1.00 0.00 N ATOM 336 CA GLY A 24 79.525 14.097 -21.623 1.00 0.00 C ATOM 337 C GLY A 24 79.839 12.653 -21.241 1.00 0.00 C ATOM 338 O GLY A 24 80.899 12.128 -21.585 1.00 0.00 O ATOM 0 H GLY A 24 78.167 13.661 -23.168 1.00 0.00 H new ATOM 0 HA2 GLY A 24 80.305 14.483 -22.280 1.00 0.00 H new ATOM 0 HA3 GLY A 24 79.522 14.722 -20.730 1.00 0.00 H new ATOM 342 N LEU A 25 78.914 12.009 -20.536 1.00 0.00 N ATOM 343 CA LEU A 25 79.117 10.623 -20.133 1.00 0.00 C ATOM 344 C LEU A 25 78.918 9.702 -21.330 1.00 0.00 C ATOM 345 O LEU A 25 78.095 9.974 -22.207 1.00 0.00 O ATOM 346 CB LEU A 25 78.151 10.232 -19.004 1.00 0.00 C ATOM 347 CG LEU A 25 78.188 11.301 -17.871 1.00 0.00 C ATOM 348 CD1 LEU A 25 76.986 12.249 -18.004 1.00 0.00 C ATOM 349 CD2 LEU A 25 78.147 10.618 -16.485 1.00 0.00 C ATOM 0 H LEU A 25 78.029 12.418 -20.236 1.00 0.00 H new ATOM 0 HA LEU A 25 80.136 10.519 -19.762 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.138 10.142 -19.397 1.00 0.00 H new ATOM 0 HB3 LEU A 25 78.425 9.256 -18.603 1.00 0.00 H new ATOM 0 HG LEU A 25 79.114 11.869 -17.963 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.020 12.993 -17.208 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.023 12.750 -18.971 1.00 0.00 H new ATOM 0 HD13 LEU A 25 76.061 11.677 -17.927 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.174 11.378 -15.704 1.00 0.00 H new ATOM 0 HD22 LEU A 25 77.230 10.035 -16.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.008 9.958 -16.379 1.00 0.00 H new ATOM 361 N GLU A 26 79.678 8.615 -21.363 1.00 0.00 N ATOM 362 CA GLU A 26 79.593 7.666 -22.467 1.00 0.00 C ATOM 363 C GLU A 26 78.281 6.880 -22.392 1.00 0.00 C ATOM 364 O GLU A 26 77.997 6.063 -23.267 1.00 0.00 O ATOM 365 CB GLU A 26 80.781 6.688 -22.428 1.00 0.00 C ATOM 366 CG GLU A 26 82.128 7.447 -22.310 1.00 0.00 C ATOM 367 CD GLU A 26 82.726 7.728 -23.690 1.00 0.00 C ATOM 368 OE1 GLU A 26 81.963 7.846 -24.634 1.00 0.00 O ATOM 369 OE2 GLU A 26 83.941 7.819 -23.778 1.00 0.00 O1- ATOM 0 H GLU A 26 80.357 8.369 -20.643 1.00 0.00 H new ATOM 0 HA GLU A 26 79.623 8.226 -23.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 80.668 6.008 -21.583 1.00 0.00 H new ATOM 0 HB3 GLU A 26 80.783 6.077 -23.331 1.00 0.00 H new ATOM 0 HG2 GLU A 26 81.974 8.386 -21.779 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.830 6.858 -21.719 1.00 0.00 H new ATOM 376 N CYS A 27 77.497 7.135 -21.339 1.00 0.00 N ATOM 377 CA CYS A 27 76.211 6.455 -21.133 1.00 0.00 C ATOM 378 C CYS A 27 75.758 6.637 -19.684 1.00 0.00 C ATOM 379 O CYS A 27 76.492 7.180 -18.859 1.00 0.00 O ATOM 380 CB CYS A 27 76.341 4.953 -21.428 1.00 0.00 C ATOM 381 SG CYS A 27 77.954 4.375 -20.853 1.00 0.00 S ATOM 0 H CYS A 27 77.731 7.811 -20.612 1.00 0.00 H new ATOM 0 HA CYS A 27 75.479 6.892 -21.812 1.00 0.00 H new ATOM 0 HB2 CYS A 27 75.544 4.401 -20.929 1.00 0.00 H new ATOM 0 HB3 CYS A 27 76.235 4.769 -22.497 1.00 0.00 H new ATOM 386 N THR A 28 74.568 6.131 -19.368 1.00 0.00 N ATOM 387 CA THR A 28 74.050 6.197 -18.004 1.00 0.00 C ATOM 388 C THR A 28 75.070 5.568 -17.046 1.00 0.00 C ATOM 389 O THR A 28 76.098 5.055 -17.488 1.00 0.00 O ATOM 390 CB THR A 28 72.710 5.433 -17.932 1.00 0.00 C ATOM 391 OG1 THR A 28 72.069 5.522 -19.195 1.00 0.00 O ATOM 392 CG2 THR A 28 71.777 6.023 -16.853 1.00 0.00 C ATOM 0 H THR A 28 73.947 5.673 -20.035 1.00 0.00 H new ATOM 0 HA THR A 28 73.884 7.235 -17.717 1.00 0.00 H new ATOM 0 HB THR A 28 72.918 4.396 -17.670 1.00 0.00 H new ATOM 0 HG1 THR A 28 71.217 5.039 -19.164 1.00 0.00 H new ATOM 0 HG21 THR A 28 70.844 5.460 -16.831 1.00 0.00 H new ATOM 0 HG22 THR A 28 72.262 5.960 -15.879 1.00 0.00 H new ATOM 0 HG23 THR A 28 71.566 7.067 -17.086 1.00 0.00 H new ATOM 400 N LYS A 29 74.795 5.606 -15.738 1.00 0.00 N ATOM 401 CA LYS A 29 75.713 5.034 -14.738 1.00 0.00 C ATOM 402 C LYS A 29 75.089 3.815 -14.055 1.00 0.00 C ATOM 403 O LYS A 29 74.228 3.956 -13.186 1.00 0.00 O ATOM 404 CB LYS A 29 76.033 6.114 -13.682 1.00 0.00 C ATOM 405 CG LYS A 29 77.231 6.982 -14.133 1.00 0.00 C ATOM 406 CD LYS A 29 78.531 6.436 -13.527 1.00 0.00 C ATOM 407 CE LYS A 29 79.726 7.183 -14.113 1.00 0.00 C ATOM 408 NZ LYS A 29 80.965 6.401 -13.856 1.00 0.00 N1+ ATOM 0 H LYS A 29 73.951 6.023 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 29 76.626 4.711 -15.238 1.00 0.00 H new ATOM 0 HB2 LYS A 29 75.159 6.746 -13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 29 76.260 5.640 -12.727 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.300 6.985 -15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.080 8.015 -13.821 1.00 0.00 H new ATOM 0 HD2 LYS A 29 78.514 6.551 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 29 78.620 5.369 -13.734 1.00 0.00 H new ATOM 0 HE2 LYS A 29 79.589 7.329 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 29 79.807 8.173 -13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 81.783 6.906 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 81.095 6.284 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 80.884 5.466 -14.304 1.00 0.00 H new ATOM 422 N THR A 30 75.586 2.625 -14.390 1.00 0.00 N ATOM 423 CA THR A 30 75.124 1.400 -13.738 1.00 0.00 C ATOM 424 C THR A 30 76.064 1.073 -12.574 1.00 0.00 C ATOM 425 O THR A 30 77.272 1.283 -12.667 1.00 0.00 O ATOM 426 CB THR A 30 75.095 0.221 -14.730 1.00 0.00 C ATOM 427 OG1 THR A 30 76.427 -0.170 -15.030 1.00 0.00 O ATOM 428 CG2 THR A 30 74.371 0.603 -16.041 1.00 0.00 C ATOM 0 H THR A 30 76.302 2.483 -15.102 1.00 0.00 H new ATOM 0 HA THR A 30 74.110 1.557 -13.371 1.00 0.00 H new ATOM 0 HB THR A 30 74.550 -0.601 -14.266 1.00 0.00 H new ATOM 0 HG1 THR A 30 76.414 -0.921 -15.659 1.00 0.00 H new ATOM 0 HG21 THR A 30 74.369 -0.251 -16.718 1.00 0.00 H new ATOM 0 HG22 THR A 30 73.344 0.892 -15.818 1.00 0.00 H new ATOM 0 HG23 THR A 30 74.889 1.438 -16.513 1.00 0.00 H new ATOM 436 N CYS A 31 75.508 0.586 -11.472 1.00 0.00 N ATOM 437 CA CYS A 31 76.310 0.272 -10.287 1.00 0.00 C ATOM 438 C CYS A 31 77.664 -0.356 -10.662 1.00 0.00 C ATOM 439 O CYS A 31 78.613 -0.258 -9.884 1.00 0.00 O ATOM 440 CB CYS A 31 75.499 -0.683 -9.371 1.00 0.00 C ATOM 441 SG CYS A 31 75.245 0.067 -7.736 1.00 0.00 S ATOM 0 H CYS A 31 74.510 0.399 -11.370 1.00 0.00 H new ATOM 0 HA CYS A 31 76.528 1.199 -9.757 1.00 0.00 H new ATOM 0 HB2 CYS A 31 74.535 -0.905 -9.829 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.027 -1.630 -9.265 1.00 0.00 H new ATOM 446 N GLN A 32 77.735 -1.079 -11.788 1.00 0.00 N ATOM 447 CA GLN A 32 78.978 -1.803 -12.137 1.00 0.00 C ATOM 448 C GLN A 32 79.825 -1.111 -13.218 1.00 0.00 C ATOM 449 O GLN A 32 80.827 -1.677 -13.646 1.00 0.00 O ATOM 450 CB GLN A 32 78.639 -3.226 -12.601 1.00 0.00 C ATOM 451 CG GLN A 32 78.311 -4.107 -11.397 1.00 0.00 C ATOM 452 CD GLN A 32 77.952 -5.507 -11.875 1.00 0.00 C ATOM 453 OE1 GLN A 32 78.101 -6.476 -11.134 1.00 0.00 O ATOM 454 NE2 GLN A 32 77.478 -5.673 -13.080 1.00 0.00 N ATOM 0 H GLN A 32 76.974 -1.181 -12.459 1.00 0.00 H new ATOM 0 HA GLN A 32 79.580 -1.817 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 32 77.791 -3.201 -13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 32 79.480 -3.647 -13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 32 79.165 -4.150 -10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 32 77.481 -3.679 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 32 77.354 -4.868 -13.695 1.00 0.00 H new ATOM 0 HE22 GLN A 32 77.231 -6.607 -13.407 1.00 0.00 H new ATOM 463 N ASN A 33 79.448 0.087 -13.660 1.00 0.00 N ATOM 464 CA ASN A 33 80.232 0.777 -14.705 1.00 0.00 C ATOM 465 C ASN A 33 81.140 1.844 -14.106 1.00 0.00 C ATOM 466 O ASN A 33 81.938 2.453 -14.818 1.00 0.00 O ATOM 467 CB ASN A 33 79.287 1.414 -15.749 1.00 0.00 C ATOM 468 CG ASN A 33 78.874 2.828 -15.332 1.00 0.00 C ATOM 469 OD1 ASN A 33 79.346 3.809 -15.908 1.00 0.00 O ATOM 470 ND2 ASN A 33 78.030 2.989 -14.356 1.00 0.00 N ATOM 0 H ASN A 33 78.629 0.596 -13.328 1.00 0.00 H new ATOM 0 HA ASN A 33 80.861 0.034 -15.194 1.00 0.00 H new ATOM 0 HB2 ASN A 33 79.783 1.448 -16.719 1.00 0.00 H new ATOM 0 HB3 ASN A 33 78.399 0.793 -15.867 1.00 0.00 H new ATOM 0 HD21 ASN A 33 77.758 3.929 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 33 77.640 2.176 -13.880 1.00 0.00 H new ATOM 477 N TYR A 34 81.000 2.099 -12.810 1.00 0.00 N ATOM 478 CA TYR A 34 81.806 3.129 -12.170 1.00 0.00 C ATOM 479 C TYR A 34 83.252 3.023 -12.624 1.00 0.00 C ATOM 480 O TYR A 34 83.840 4.020 -13.041 1.00 0.00 O ATOM 481 CB TYR A 34 81.714 2.993 -10.648 1.00 0.00 C ATOM 482 CG TYR A 34 80.277 3.143 -10.141 1.00 0.00 C ATOM 483 CD1 TYR A 34 79.220 3.590 -10.971 1.00 0.00 C ATOM 484 CD2 TYR A 34 80.009 2.839 -8.798 1.00 0.00 C ATOM 485 CE1 TYR A 34 77.932 3.723 -10.452 1.00 0.00 C ATOM 486 CE2 TYR A 34 78.713 2.980 -8.288 1.00 0.00 C ATOM 487 CZ TYR A 34 77.679 3.421 -9.112 1.00 0.00 C ATOM 488 OH TYR A 34 76.404 3.559 -8.603 1.00 0.00 O ATOM 0 H TYR A 34 80.348 1.616 -12.192 1.00 0.00 H new ATOM 0 HA TYR A 34 81.424 4.108 -12.459 1.00 0.00 H new ATOM 0 HB2 TYR A 34 82.104 2.021 -10.347 1.00 0.00 H new ATOM 0 HB3 TYR A 34 82.344 3.748 -10.178 1.00 0.00 H new ATOM 0 HD1 TYR A 34 79.411 3.828 -12.007 1.00 0.00 H new ATOM 0 HD2 TYR A 34 80.806 2.495 -8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 34 77.128 4.061 -11.089 1.00 0.00 H new ATOM 0 HE2 TYR A 34 78.514 2.746 -7.253 1.00 0.00 H new ATOM 0 HH TYR A 34 76.150 2.739 -8.130 1.00 0.00 H new ATOM 498 N ASP A 35 83.816 1.812 -12.602 1.00 0.00 N ATOM 499 CA ASP A 35 85.182 1.606 -13.072 1.00 0.00 C ATOM 500 C ASP A 35 85.182 0.676 -14.287 1.00 0.00 C ATOM 501 O ASP A 35 86.241 0.357 -14.827 1.00 0.00 O ATOM 502 CB ASP A 35 86.032 0.983 -11.953 1.00 0.00 C ATOM 503 CG ASP A 35 85.573 1.514 -10.601 1.00 0.00 C ATOM 504 OD1 ASP A 35 85.202 2.674 -10.536 1.00 0.00 O ATOM 505 OD2 ASP A 35 85.592 0.749 -9.652 1.00 0.00 O1- ATOM 0 H ASP A 35 83.350 0.969 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 35 85.605 2.570 -13.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.942 -0.103 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 35 87.085 1.219 -12.109 1.00 0.00 H new ATOM 510 N LEU A 36 83.984 0.240 -14.726 1.00 0.00 N ATOM 511 CA LEU A 36 83.875 -0.660 -15.880 1.00 0.00 C ATOM 512 C LEU A 36 83.138 0.035 -17.026 1.00 0.00 C ATOM 513 O LEU A 36 82.294 0.897 -16.802 1.00 0.00 O ATOM 514 CB LEU A 36 83.144 -1.967 -15.491 1.00 0.00 C ATOM 515 CG LEU A 36 83.573 -3.123 -16.423 1.00 0.00 C ATOM 516 CD1 LEU A 36 84.885 -3.756 -15.917 1.00 0.00 C ATOM 517 CD2 LEU A 36 82.472 -4.195 -16.461 1.00 0.00 C ATOM 0 H LEU A 36 83.092 0.495 -14.302 1.00 0.00 H new ATOM 0 HA LEU A 36 84.882 -0.915 -16.210 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.370 -2.223 -14.456 1.00 0.00 H new ATOM 0 HB3 LEU A 36 82.066 -1.821 -15.555 1.00 0.00 H new ATOM 0 HG LEU A 36 83.731 -2.725 -17.425 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.177 -4.569 -16.582 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.671 -3.001 -15.901 1.00 0.00 H new ATOM 0 HD13 LEU A 36 84.736 -4.146 -14.910 1.00 0.00 H new ATOM 0 HD21 LEU A 36 82.778 -5.008 -17.119 1.00 0.00 H new ATOM 0 HD22 LEU A 36 82.308 -4.584 -15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 36 81.548 -3.754 -16.835 1.00 0.00 H new ATOM 529 N GLU A 37 83.504 -0.310 -18.254 1.00 0.00 N ATOM 530 CA GLU A 37 82.896 0.313 -19.425 1.00 0.00 C ATOM 531 C GLU A 37 81.490 -0.234 -19.679 1.00 0.00 C ATOM 532 O GLU A 37 81.247 -1.434 -19.563 1.00 0.00 O ATOM 533 CB GLU A 37 83.781 0.065 -20.652 1.00 0.00 C ATOM 534 CG GLU A 37 85.022 0.974 -20.595 1.00 0.00 C ATOM 535 CD GLU A 37 84.704 2.366 -21.147 1.00 0.00 C ATOM 536 OE1 GLU A 37 83.747 2.488 -21.896 1.00 0.00 O ATOM 537 OE2 GLU A 37 85.423 3.293 -20.811 1.00 0.00 O1- ATOM 0 H GLU A 37 84.213 -1.012 -18.465 1.00 0.00 H new ATOM 0 HA GLU A 37 82.811 1.384 -19.240 1.00 0.00 H new ATOM 0 HB2 GLU A 37 84.087 -0.981 -20.685 1.00 0.00 H new ATOM 0 HB3 GLU A 37 83.217 0.262 -21.564 1.00 0.00 H new ATOM 0 HG2 GLU A 37 85.370 1.057 -19.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 85.833 0.526 -21.170 1.00 0.00 H new ATOM 544 N CYS A 38 80.576 0.663 -20.052 1.00 0.00 N ATOM 545 CA CYS A 38 79.199 0.274 -20.355 1.00 0.00 C ATOM 546 C CYS A 38 79.094 -0.159 -21.817 1.00 0.00 C ATOM 547 O CYS A 38 80.031 0.031 -22.589 1.00 0.00 O ATOM 548 CB CYS A 38 78.251 1.459 -20.078 1.00 0.00 C ATOM 549 SG CYS A 38 78.077 2.493 -21.562 1.00 0.00 S ATOM 0 H CYS A 38 80.764 1.661 -20.151 1.00 0.00 H new ATOM 0 HA CYS A 38 78.911 -0.563 -19.719 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.274 1.087 -19.770 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.638 2.058 -19.254 1.00 0.00 H new ATOM 554 N MET A 39 77.944 -0.704 -22.205 1.00 0.00 N ATOM 555 CA MET A 39 77.753 -1.102 -23.595 1.00 0.00 C ATOM 556 C MET A 39 77.723 0.155 -24.468 1.00 0.00 C ATOM 557 O MET A 39 78.745 0.821 -24.639 1.00 0.00 O ATOM 558 CB MET A 39 76.456 -1.927 -23.739 1.00 0.00 C ATOM 559 CG MET A 39 76.172 -2.345 -25.211 1.00 0.00 C ATOM 560 SD MET A 39 77.704 -2.558 -26.159 1.00 0.00 S ATOM 561 CE MET A 39 78.012 -4.284 -25.711 1.00 0.00 C ATOM 0 H MET A 39 77.147 -0.877 -21.592 1.00 0.00 H new ATOM 0 HA MET A 39 78.577 -1.735 -23.923 1.00 0.00 H new ATOM 0 HB2 MET A 39 76.528 -2.821 -23.119 1.00 0.00 H new ATOM 0 HB3 MET A 39 75.615 -1.344 -23.362 1.00 0.00 H new ATOM 0 HG2 MET A 39 75.606 -3.276 -25.221 1.00 0.00 H new ATOM 0 HG3 MET A 39 75.550 -1.589 -25.690 1.00 0.00 H new ATOM 0 HE1 MET A 39 78.926 -4.628 -26.195 1.00 0.00 H new ATOM 0 HE2 MET A 39 78.121 -4.365 -24.629 1.00 0.00 H new ATOM 0 HE3 MET A 39 77.175 -4.900 -26.039 1.00 0.00 H new ATOM 571 N SER A 40 76.558 0.462 -25.039 1.00 0.00 N ATOM 572 CA SER A 40 76.409 1.626 -25.922 1.00 0.00 C ATOM 573 C SER A 40 75.545 2.718 -25.276 1.00 0.00 C ATOM 574 O SER A 40 76.063 3.714 -24.767 1.00 0.00 O ATOM 575 CB SER A 40 75.758 1.169 -27.230 1.00 0.00 C ATOM 576 OG SER A 40 76.736 0.529 -28.039 1.00 0.00 O ATOM 0 H SER A 40 75.702 -0.077 -24.908 1.00 0.00 H new ATOM 0 HA SER A 40 77.396 2.049 -26.109 1.00 0.00 H new ATOM 0 HB2 SER A 40 74.936 0.484 -27.021 1.00 0.00 H new ATOM 0 HB3 SER A 40 75.335 2.024 -27.758 1.00 0.00 H new ATOM 0 HG SER A 40 77.060 -0.277 -27.585 1.00 0.00 H new ATOM 582 N MET A 41 74.226 2.519 -25.310 1.00 0.00 N ATOM 583 CA MET A 41 73.277 3.480 -24.736 1.00 0.00 C ATOM 584 C MET A 41 73.746 4.922 -24.951 1.00 0.00 C ATOM 585 O MET A 41 74.360 5.523 -24.071 1.00 0.00 O ATOM 586 CB MET A 41 73.107 3.188 -23.234 1.00 0.00 C ATOM 587 CG MET A 41 72.156 1.987 -23.031 1.00 0.00 C ATOM 588 SD MET A 41 72.701 1.007 -21.603 1.00 0.00 S ATOM 589 CE MET A 41 71.575 1.689 -20.360 1.00 0.00 C ATOM 0 H MET A 41 73.788 1.699 -25.730 1.00 0.00 H new ATOM 0 HA MET A 41 72.318 3.370 -25.242 1.00 0.00 H new ATOM 0 HB2 MET A 41 74.077 2.974 -22.785 1.00 0.00 H new ATOM 0 HB3 MET A 41 72.709 4.067 -22.727 1.00 0.00 H new ATOM 0 HG2 MET A 41 71.137 2.341 -22.874 1.00 0.00 H new ATOM 0 HG3 MET A 41 72.143 1.366 -23.927 1.00 0.00 H new ATOM 0 HE1 MET A 41 72.120 1.866 -19.433 1.00 0.00 H new ATOM 0 HE2 MET A 41 71.160 2.630 -20.722 1.00 0.00 H new ATOM 0 HE3 MET A 41 70.766 0.983 -20.176 1.00 0.00 H new ATOM 599 N GLY A 42 73.457 5.463 -26.137 1.00 0.00 N ATOM 600 CA GLY A 42 73.858 6.834 -26.477 1.00 0.00 C ATOM 601 C GLY A 42 72.664 7.787 -26.488 1.00 0.00 C ATOM 602 O GLY A 42 72.317 8.336 -27.534 1.00 0.00 O ATOM 0 H GLY A 42 72.949 4.977 -26.876 1.00 0.00 H new ATOM 0 HA2 GLY A 42 74.597 7.186 -25.757 1.00 0.00 H new ATOM 0 HA3 GLY A 42 74.338 6.841 -27.456 1.00 0.00 H new ATOM 606 N CYS A 43 72.026 7.963 -25.328 1.00 0.00 N ATOM 607 CA CYS A 43 70.857 8.838 -25.200 1.00 0.00 C ATOM 608 C CYS A 43 69.573 8.054 -25.459 1.00 0.00 C ATOM 609 O CYS A 43 69.095 7.982 -26.594 1.00 0.00 O ATOM 610 CB CYS A 43 70.950 10.054 -26.150 1.00 0.00 C ATOM 611 SG CYS A 43 70.127 11.478 -25.389 1.00 0.00 S ATOM 0 H CYS A 43 72.302 7.508 -24.458 1.00 0.00 H new ATOM 0 HA CYS A 43 70.838 9.218 -24.178 1.00 0.00 H new ATOM 0 HB2 CYS A 43 71.994 10.290 -26.355 1.00 0.00 H new ATOM 0 HB3 CYS A 43 70.483 9.819 -27.106 1.00 0.00 H new ATOM 616 N VAL A 44 69.012 7.468 -24.394 1.00 0.00 N ATOM 617 CA VAL A 44 67.770 6.691 -24.504 1.00 0.00 C ATOM 618 C VAL A 44 66.722 7.265 -23.537 1.00 0.00 C ATOM 619 O VAL A 44 66.901 7.230 -22.318 1.00 0.00 O ATOM 620 CB VAL A 44 68.038 5.185 -24.187 1.00 0.00 C ATOM 621 CG1 VAL A 44 67.219 4.290 -25.141 1.00 0.00 C ATOM 622 CG2 VAL A 44 69.542 4.852 -24.338 1.00 0.00 C ATOM 0 H VAL A 44 69.396 7.516 -23.450 1.00 0.00 H new ATOM 0 HA VAL A 44 67.393 6.760 -25.524 1.00 0.00 H new ATOM 0 HB VAL A 44 67.736 4.996 -23.157 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.412 3.242 -24.912 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.157 4.499 -25.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 67.509 4.496 -26.171 1.00 0.00 H new ATOM 0 HG21 VAL A 44 69.706 3.798 -24.113 1.00 0.00 H new ATOM 0 HG22 VAL A 44 69.859 5.058 -25.360 1.00 0.00 H new ATOM 0 HG23 VAL A 44 70.121 5.465 -23.648 1.00 0.00 H new ATOM 632 N SER A 45 65.651 7.821 -24.104 1.00 0.00 N ATOM 633 CA SER A 45 64.592 8.440 -23.304 1.00 0.00 C ATOM 634 C SER A 45 64.069 7.448 -22.268 1.00 0.00 C ATOM 635 O SER A 45 64.004 6.245 -22.525 1.00 0.00 O ATOM 636 CB SER A 45 63.439 8.905 -24.217 1.00 0.00 C ATOM 637 OG SER A 45 62.275 8.117 -23.974 1.00 0.00 O ATOM 0 H SER A 45 65.493 7.856 -25.111 1.00 0.00 H new ATOM 0 HA SER A 45 65.004 9.307 -22.787 1.00 0.00 H new ATOM 0 HB2 SER A 45 63.221 9.957 -24.033 1.00 0.00 H new ATOM 0 HB3 SER A 45 63.735 8.819 -25.263 1.00 0.00 H new ATOM 0 HG SER A 45 61.547 8.420 -24.557 1.00 0.00 H new ATOM 643 N GLY A 46 63.707 7.957 -21.094 1.00 0.00 N ATOM 644 CA GLY A 46 63.205 7.106 -20.020 1.00 0.00 C ATOM 645 C GLY A 46 63.500 7.733 -18.667 1.00 0.00 C ATOM 646 O GLY A 46 63.981 8.865 -18.589 1.00 0.00 O ATOM 0 H GLY A 46 63.751 8.949 -20.863 1.00 0.00 H new ATOM 0 HA2 GLY A 46 62.131 6.960 -20.134 1.00 0.00 H new ATOM 0 HA3 GLY A 46 63.668 6.121 -20.081 1.00 0.00 H new ATOM 650 N CYS A 47 63.235 6.989 -17.601 1.00 0.00 N ATOM 651 CA CYS A 47 63.504 7.479 -16.257 1.00 0.00 C ATOM 652 C CYS A 47 64.989 7.374 -15.942 1.00 0.00 C ATOM 653 O CYS A 47 65.595 6.318 -16.125 1.00 0.00 O ATOM 654 CB CYS A 47 62.741 6.644 -15.231 1.00 0.00 C ATOM 655 SG CYS A 47 60.970 6.978 -15.353 1.00 0.00 S ATOM 0 H CYS A 47 62.837 6.051 -17.641 1.00 0.00 H new ATOM 0 HA CYS A 47 63.185 8.520 -16.208 1.00 0.00 H new ATOM 0 HB2 CYS A 47 62.932 5.584 -15.399 1.00 0.00 H new ATOM 0 HB3 CYS A 47 63.094 6.876 -14.226 1.00 0.00 H new ATOM 660 N LEU A 48 65.564 8.453 -15.427 1.00 0.00 N ATOM 661 CA LEU A 48 66.970 8.448 -15.042 1.00 0.00 C ATOM 662 C LEU A 48 67.156 9.277 -13.775 1.00 0.00 C ATOM 663 O LEU A 48 66.888 10.479 -13.762 1.00 0.00 O ATOM 664 CB LEU A 48 67.835 8.993 -16.187 1.00 0.00 C ATOM 665 CG LEU A 48 67.306 10.380 -16.679 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.342 11.472 -16.383 1.00 0.00 C ATOM 667 CD2 LEU A 48 67.038 10.351 -18.199 1.00 0.00 C ATOM 0 H LEU A 48 65.083 9.338 -15.267 1.00 0.00 H new ATOM 0 HA LEU A 48 67.287 7.425 -14.838 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.868 9.092 -15.852 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.835 8.285 -17.016 1.00 0.00 H new ATOM 0 HG LEU A 48 66.377 10.594 -16.151 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.965 12.434 -16.729 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.525 11.519 -15.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.273 11.240 -16.900 1.00 0.00 H new ATOM 0 HD21 LEU A 48 66.671 11.325 -18.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.963 10.118 -18.727 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.291 9.589 -18.422 1.00 0.00 H new ATOM 679 N CYS A 49 67.579 8.614 -12.701 1.00 0.00 N ATOM 680 CA CYS A 49 67.760 9.281 -11.415 1.00 0.00 C ATOM 681 C CYS A 49 68.589 10.565 -11.604 1.00 0.00 C ATOM 682 O CYS A 49 69.545 10.558 -12.374 1.00 0.00 O ATOM 683 CB CYS A 49 68.464 8.315 -10.448 1.00 0.00 C ATOM 684 SG CYS A 49 67.974 8.675 -8.745 1.00 0.00 S ATOM 0 H CYS A 49 67.802 7.619 -12.696 1.00 0.00 H new ATOM 0 HA CYS A 49 66.792 9.560 -10.999 1.00 0.00 H new ATOM 0 HB2 CYS A 49 68.207 7.286 -10.699 1.00 0.00 H new ATOM 0 HB3 CYS A 49 69.545 8.408 -10.551 1.00 0.00 H new ATOM 689 N PRO A 50 68.259 11.673 -10.954 1.00 0.00 N ATOM 690 CA PRO A 50 69.030 12.945 -11.133 1.00 0.00 C ATOM 691 C PRO A 50 70.554 12.707 -11.095 1.00 0.00 C ATOM 692 O PRO A 50 71.011 11.772 -10.439 1.00 0.00 O ATOM 693 CB PRO A 50 68.563 13.850 -9.962 1.00 0.00 C ATOM 694 CG PRO A 50 67.657 13.006 -9.110 1.00 0.00 C ATOM 695 CD PRO A 50 67.152 11.869 -9.996 1.00 0.00 C ATOM 0 HA PRO A 50 68.844 13.400 -12.106 1.00 0.00 H new ATOM 0 HB2 PRO A 50 69.415 14.210 -9.385 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.037 14.729 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.193 12.614 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.825 13.597 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 50 66.954 10.966 -9.419 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.224 12.134 -10.502 1.00 0.00 H new ATOM 703 N PRO A 51 71.348 13.529 -11.760 1.00 0.00 N ATOM 704 CA PRO A 51 72.837 13.363 -11.747 1.00 0.00 C ATOM 705 C PRO A 51 73.387 13.285 -10.315 1.00 0.00 C ATOM 706 O PRO A 51 72.907 13.979 -9.420 1.00 0.00 O ATOM 707 CB PRO A 51 73.375 14.618 -12.470 1.00 0.00 C ATOM 708 CG PRO A 51 72.223 15.172 -13.260 1.00 0.00 C ATOM 709 CD PRO A 51 70.929 14.675 -12.596 1.00 0.00 C ATOM 0 HA PRO A 51 73.143 12.436 -12.231 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.744 15.352 -11.754 1.00 0.00 H new ATOM 0 HB3 PRO A 51 74.209 14.363 -13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 51 72.254 16.261 -13.272 1.00 0.00 H new ATOM 0 HG3 PRO A 51 72.274 14.840 -14.297 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.469 15.457 -11.992 1.00 0.00 H new ATOM 0 HD3 PRO A 51 70.193 14.373 -13.341 1.00 0.00 H new ATOM 717 N GLY A 52 74.393 12.428 -10.111 1.00 0.00 N ATOM 718 CA GLY A 52 74.994 12.245 -8.785 1.00 0.00 C ATOM 719 C GLY A 52 74.298 11.107 -8.043 1.00 0.00 C ATOM 720 O GLY A 52 74.691 10.732 -6.939 1.00 0.00 O ATOM 0 H GLY A 52 74.807 11.852 -10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.057 12.026 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.912 13.167 -8.210 1.00 0.00 H new ATOM 724 N MET A 53 73.286 10.545 -8.686 1.00 0.00 N ATOM 725 CA MET A 53 72.542 9.411 -8.124 1.00 0.00 C ATOM 726 C MET A 53 72.481 8.275 -9.147 1.00 0.00 C ATOM 727 O MET A 53 72.740 8.483 -10.333 1.00 0.00 O ATOM 728 CB MET A 53 71.124 9.858 -7.722 1.00 0.00 C ATOM 729 CG MET A 53 71.093 10.321 -6.250 1.00 0.00 C ATOM 730 SD MET A 53 70.678 8.917 -5.184 1.00 0.00 S ATOM 731 CE MET A 53 70.267 9.872 -3.705 1.00 0.00 C ATOM 0 H MET A 53 72.955 10.852 -9.601 1.00 0.00 H new ATOM 0 HA MET A 53 73.054 9.050 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.796 10.670 -8.371 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.424 9.035 -7.864 1.00 0.00 H new ATOM 0 HG2 MET A 53 72.062 10.733 -5.967 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.359 11.117 -6.123 1.00 0.00 H new ATOM 0 HE1 MET A 53 69.976 9.194 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 53 71.136 10.451 -3.393 1.00 0.00 H new ATOM 0 HE3 MET A 53 69.441 10.548 -3.926 1.00 0.00 H new ATOM 741 N VAL A 54 72.168 7.065 -8.674 1.00 0.00 N ATOM 742 CA VAL A 54 72.110 5.892 -9.555 1.00 0.00 C ATOM 743 C VAL A 54 70.821 5.099 -9.324 1.00 0.00 C ATOM 744 O VAL A 54 70.384 4.911 -8.189 1.00 0.00 O ATOM 745 CB VAL A 54 73.331 4.998 -9.297 1.00 0.00 C ATOM 746 CG1 VAL A 54 73.204 3.690 -10.115 1.00 0.00 C ATOM 747 CG2 VAL A 54 74.627 5.759 -9.677 1.00 0.00 C ATOM 0 H VAL A 54 71.953 6.871 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 54 72.118 6.232 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 54 73.378 4.741 -8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 54 74.073 3.059 -9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 54 72.300 3.160 -9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 54 73.150 3.929 -11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 54 75.491 5.121 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 54 74.594 6.029 -10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.708 6.663 -9.074 1.00 0.00 H new ATOM 757 N ARG A 55 70.226 4.640 -10.423 1.00 0.00 N ATOM 758 CA ARG A 55 68.985 3.861 -10.371 1.00 0.00 C ATOM 759 C ARG A 55 69.254 2.451 -9.831 1.00 0.00 C ATOM 760 O ARG A 55 70.177 1.775 -10.286 1.00 0.00 O ATOM 761 CB ARG A 55 68.416 3.698 -11.799 1.00 0.00 C ATOM 762 CG ARG A 55 69.563 3.729 -12.828 1.00 0.00 C ATOM 763 CD ARG A 55 69.169 2.929 -14.071 1.00 0.00 C ATOM 764 NE ARG A 55 70.246 2.968 -15.056 1.00 0.00 N ATOM 765 CZ ARG A 55 70.438 1.971 -15.916 1.00 0.00 C ATOM 766 NH1 ARG A 55 69.664 0.921 -15.884 1.00 0.00 N ATOM 767 NH2 ARG A 55 71.403 2.042 -16.792 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.583 4.794 -11.366 1.00 0.00 H new ATOM 0 HA ARG A 55 68.286 4.389 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 55 67.871 2.757 -11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 55 67.705 4.497 -12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 55 69.788 4.759 -13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 55 70.469 3.312 -12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 55 68.955 1.896 -13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 55 68.256 3.339 -14.503 1.00 0.00 H new ATOM 0 HE ARG A 55 70.865 3.778 -15.086 1.00 0.00 H new ATOM 0 HH11 ARG A 55 68.910 0.864 -15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 55 69.813 0.158 -16.544 1.00 0.00 H new ATOM 0 HH21 ARG A 55 72.010 2.862 -16.817 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.550 1.278 -17.451 1.00 0.00 H new ATOM 781 N HIS A 56 68.408 1.982 -8.913 1.00 0.00 N ATOM 782 CA HIS A 56 68.536 0.619 -8.395 1.00 0.00 C ATOM 783 C HIS A 56 67.158 0.096 -7.972 1.00 0.00 C ATOM 784 O HIS A 56 66.304 0.867 -7.550 1.00 0.00 O ATOM 785 CB HIS A 56 69.517 0.589 -7.208 1.00 0.00 C ATOM 786 CG HIS A 56 70.227 -0.741 -7.160 1.00 0.00 C ATOM 787 ND1 HIS A 56 71.480 -0.924 -7.723 1.00 0.00 N ATOM 788 CD2 HIS A 56 69.869 -1.958 -6.639 1.00 0.00 C ATOM 789 CE1 HIS A 56 71.828 -2.208 -7.532 1.00 0.00 C ATOM 790 NE2 HIS A 56 70.882 -2.884 -6.875 1.00 0.00 N ATOM 0 H HIS A 56 67.636 2.518 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 56 68.931 -0.027 -9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 56 70.244 1.395 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 56 68.978 0.757 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 56 68.943 -2.166 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 56 72.759 -2.640 -7.869 1.00 0.00 H new ATOM 0 HE2 HIS A 56 70.898 -3.867 -6.604 1.00 0.00 H new ATOM 798 N GLU A 57 66.943 -1.207 -8.114 1.00 0.00 N ATOM 799 CA GLU A 57 65.647 -1.794 -7.757 1.00 0.00 C ATOM 800 C GLU A 57 64.519 -1.029 -8.465 1.00 0.00 C ATOM 801 O GLU A 57 63.372 -1.054 -8.026 1.00 0.00 O ATOM 802 CB GLU A 57 65.449 -1.725 -6.225 1.00 0.00 C ATOM 803 CG GLU A 57 66.030 -2.980 -5.532 1.00 0.00 C ATOM 804 CD GLU A 57 64.968 -4.077 -5.425 1.00 0.00 C ATOM 805 OE1 GLU A 57 64.025 -3.889 -4.673 1.00 0.00 O1- ATOM 806 OE2 GLU A 57 65.119 -5.090 -6.087 1.00 0.00 O ATOM 0 H GLU A 57 67.632 -1.871 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 57 65.624 -2.837 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 57 65.934 -0.831 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 64.387 -1.638 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 57 66.887 -3.349 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 57 66.392 -2.718 -4.538 1.00 0.00 H new ATOM 813 N ASN A 58 64.879 -0.351 -9.553 1.00 0.00 N ATOM 814 CA ASN A 58 63.918 0.432 -10.340 1.00 0.00 C ATOM 815 C ASN A 58 63.462 1.683 -9.585 1.00 0.00 C ATOM 816 O ASN A 58 62.418 2.256 -9.894 1.00 0.00 O ATOM 817 CB ASN A 58 62.693 -0.424 -10.689 1.00 0.00 C ATOM 818 CG ASN A 58 61.893 0.238 -11.806 1.00 0.00 C ATOM 819 OD1 ASN A 58 60.722 0.570 -11.618 1.00 0.00 O ATOM 820 ND2 ASN A 58 62.456 0.451 -12.962 1.00 0.00 N ATOM 0 H ASN A 58 65.833 -0.326 -9.914 1.00 0.00 H new ATOM 0 HA ASN A 58 64.422 0.744 -11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 58 63.011 -1.419 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.065 -0.551 -9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 58 61.927 0.894 -13.713 1.00 0.00 H new ATOM 0 HD22 ASN A 58 63.426 0.175 -13.115 1.00 0.00 H new ATOM 827 N ARG A 59 64.267 2.120 -8.613 1.00 0.00 N ATOM 828 CA ARG A 59 63.966 3.325 -7.833 1.00 0.00 C ATOM 829 C ARG A 59 65.263 4.101 -7.590 1.00 0.00 C ATOM 830 O ARG A 59 66.318 3.719 -8.098 1.00 0.00 O ATOM 831 CB ARG A 59 63.291 2.944 -6.499 1.00 0.00 C ATOM 832 CG ARG A 59 64.329 2.491 -5.461 1.00 0.00 C ATOM 833 CD ARG A 59 63.633 1.859 -4.239 1.00 0.00 C ATOM 834 NE ARG A 59 63.625 0.400 -4.375 1.00 0.00 N ATOM 835 CZ ARG A 59 62.560 -0.348 -4.066 1.00 0.00 C ATOM 836 NH1 ARG A 59 61.448 0.200 -3.649 1.00 0.00 N ATOM 837 NH2 ARG A 59 62.632 -1.645 -4.185 1.00 0.00 N1+ ATOM 0 H ARG A 59 65.135 1.656 -8.346 1.00 0.00 H new ATOM 0 HA ARG A 59 63.273 3.958 -8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 59 62.735 3.798 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 59 62.570 2.145 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 59 65.011 1.770 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.930 3.343 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 59 64.152 2.146 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.612 2.232 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 59 64.466 -0.064 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 59 61.383 1.214 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 59 60.646 -0.386 -3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 59 63.495 -2.080 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 59 61.825 -2.224 -3.952 1.00 0.00 H new ATOM 851 N CYS A 60 65.184 5.209 -6.850 1.00 0.00 N ATOM 852 CA CYS A 60 66.366 6.042 -6.590 1.00 0.00 C ATOM 853 C CYS A 60 66.889 5.855 -5.158 1.00 0.00 C ATOM 854 O CYS A 60 66.224 6.219 -4.192 1.00 0.00 O ATOM 855 CB CYS A 60 65.995 7.516 -6.805 1.00 0.00 C ATOM 856 SG CYS A 60 66.112 7.922 -8.565 1.00 0.00 S ATOM 0 H CYS A 60 64.323 5.550 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 60 67.155 5.738 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 60 64.983 7.703 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 60 66.662 8.157 -6.229 1.00 0.00 H new ATOM 861 N VAL A 61 68.121 5.338 -5.045 1.00 0.00 N ATOM 862 CA VAL A 61 68.777 5.161 -3.736 1.00 0.00 C ATOM 863 C VAL A 61 70.247 5.563 -3.818 1.00 0.00 C ATOM 864 O VAL A 61 70.811 5.679 -4.905 1.00 0.00 O ATOM 865 CB VAL A 61 68.707 3.709 -3.257 1.00 0.00 C ATOM 866 CG1 VAL A 61 67.257 3.337 -2.907 1.00 0.00 C ATOM 867 CG2 VAL A 61 69.224 2.784 -4.365 1.00 0.00 C ATOM 0 H VAL A 61 68.684 5.035 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 61 68.245 5.797 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 61 69.325 3.595 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 61 67.219 2.302 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 61 66.894 3.992 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 61 66.628 3.453 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 61 69.175 1.749 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 61 68.608 2.904 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 61 70.257 3.041 -4.601 1.00 0.00 H new ATOM 877 N ALA A 62 70.873 5.714 -2.656 1.00 0.00 N ATOM 878 CA ALA A 62 72.294 6.033 -2.597 1.00 0.00 C ATOM 879 C ALA A 62 73.123 4.790 -2.953 1.00 0.00 C ATOM 880 O ALA A 62 73.091 3.789 -2.240 1.00 0.00 O ATOM 881 CB ALA A 62 72.642 6.538 -1.182 1.00 0.00 C ATOM 0 H ALA A 62 70.421 5.621 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 62 72.528 6.816 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 62 73.704 6.778 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 62 72.057 7.431 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 62 72.411 5.762 -0.452 1.00 0.00 H new ATOM 887 N LEU A 63 73.813 4.853 -4.095 1.00 0.00 N ATOM 888 CA LEU A 63 74.596 3.713 -4.585 1.00 0.00 C ATOM 889 C LEU A 63 75.232 2.920 -3.443 1.00 0.00 C ATOM 890 O LEU A 63 75.484 1.727 -3.582 1.00 0.00 O ATOM 891 CB LEU A 63 75.704 4.194 -5.538 1.00 0.00 C ATOM 892 CG LEU A 63 76.552 5.314 -4.859 1.00 0.00 C ATOM 893 CD1 LEU A 63 78.052 5.068 -5.098 1.00 0.00 C ATOM 894 CD2 LEU A 63 76.171 6.703 -5.419 1.00 0.00 C ATOM 0 H LEU A 63 73.846 5.677 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 63 73.905 3.058 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.347 3.357 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 63 75.262 4.571 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 63 76.345 5.290 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.631 5.857 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.334 4.103 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.255 5.069 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.774 7.469 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.354 6.725 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 63 75.115 6.896 -5.227 1.00 0.00 H new ATOM 906 N GLU A 64 75.523 3.582 -2.327 1.00 0.00 N ATOM 907 CA GLU A 64 76.169 2.902 -1.205 1.00 0.00 C ATOM 908 C GLU A 64 75.423 1.606 -0.862 1.00 0.00 C ATOM 909 O GLU A 64 75.965 0.730 -0.188 1.00 0.00 O ATOM 910 CB GLU A 64 76.197 3.842 0.037 1.00 0.00 C ATOM 911 CG GLU A 64 77.621 3.949 0.647 1.00 0.00 C ATOM 912 CD GLU A 64 78.417 5.085 -0.005 1.00 0.00 C ATOM 913 OE1 GLU A 64 77.883 5.734 -0.890 1.00 0.00 O1- ATOM 914 OE2 GLU A 64 79.548 5.295 0.403 1.00 0.00 O ATOM 0 H GLU A 64 75.327 4.571 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 64 77.191 2.651 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 64 75.849 4.834 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 64 75.505 3.468 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 64 77.548 4.122 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 64 78.150 3.006 0.511 1.00 0.00 H new ATOM 921 N ARG A 65 74.172 1.506 -1.297 1.00 0.00 N ATOM 922 CA ARG A 65 73.368 0.326 -0.990 1.00 0.00 C ATOM 923 C ARG A 65 73.818 -0.880 -1.817 1.00 0.00 C ATOM 924 O ARG A 65 73.541 -2.021 -1.450 1.00 0.00 O ATOM 925 CB ARG A 65 71.881 0.611 -1.258 1.00 0.00 C ATOM 926 CG ARG A 65 71.004 -0.252 -0.333 1.00 0.00 C ATOM 927 CD ARG A 65 69.628 -0.440 -0.960 1.00 0.00 C ATOM 928 NE ARG A 65 69.728 -1.340 -2.104 1.00 0.00 N ATOM 929 CZ ARG A 65 69.708 -2.662 -1.950 1.00 0.00 C ATOM 930 NH1 ARG A 65 69.613 -3.186 -0.756 1.00 0.00 N ATOM 931 NH2 ARG A 65 69.796 -3.439 -2.995 1.00 0.00 N1+ ATOM 0 H ARG A 65 73.697 2.215 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 65 73.508 0.092 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 65 71.669 1.667 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 65 71.644 0.398 -2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 65 71.475 -1.221 -0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 65 70.908 0.225 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 65 68.935 -0.847 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 65 69.227 0.523 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 65 69.815 -0.948 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 65 69.554 -2.581 0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 65 69.598 -4.200 -0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 65 69.880 -3.033 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 65 69.781 -4.452 -2.880 1.00 0.00 H new ATOM 945 N CYS A 66 74.487 -0.633 -2.936 1.00 0.00 N ATOM 946 CA CYS A 66 74.938 -1.737 -3.785 1.00 0.00 C ATOM 947 C CYS A 66 75.845 -2.683 -2.964 1.00 0.00 C ATOM 948 O CYS A 66 76.829 -2.231 -2.383 1.00 0.00 O ATOM 949 CB CYS A 66 75.711 -1.182 -5.010 1.00 0.00 C ATOM 950 SG CYS A 66 74.784 -1.496 -6.537 1.00 0.00 S ATOM 0 H CYS A 66 74.727 0.299 -3.275 1.00 0.00 H new ATOM 0 HA CYS A 66 74.072 -2.294 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 66 75.875 -0.111 -4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 66 76.694 -1.650 -5.071 1.00 0.00 H new ATOM 955 N PRO A 67 75.551 -3.969 -2.894 1.00 0.00 N ATOM 956 CA PRO A 67 76.392 -4.930 -2.109 1.00 0.00 C ATOM 957 C PRO A 67 77.724 -5.243 -2.797 1.00 0.00 C ATOM 958 O PRO A 67 78.109 -4.593 -3.770 1.00 0.00 O ATOM 959 CB PRO A 67 75.508 -6.184 -2.011 1.00 0.00 C ATOM 960 CG PRO A 67 74.662 -6.143 -3.240 1.00 0.00 C ATOM 961 CD PRO A 67 74.405 -4.660 -3.530 1.00 0.00 C ATOM 0 HA PRO A 67 76.676 -4.525 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 67 76.110 -7.092 -1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.897 -6.169 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 67 75.169 -6.622 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 67 73.725 -6.678 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 67 74.365 -4.464 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.455 -4.329 -3.109 1.00 0.00 H new ATOM 969 N CYS A 68 78.418 -6.257 -2.272 1.00 0.00 N ATOM 970 CA CYS A 68 79.705 -6.688 -2.821 1.00 0.00 C ATOM 971 C CYS A 68 79.631 -8.170 -3.193 1.00 0.00 C ATOM 972 O CYS A 68 79.066 -8.975 -2.451 1.00 0.00 O ATOM 973 CB CYS A 68 80.824 -6.455 -1.781 1.00 0.00 C ATOM 974 SG CYS A 68 80.120 -6.455 -0.111 1.00 0.00 S ATOM 0 H CYS A 68 78.107 -6.796 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 68 79.931 -6.106 -3.715 1.00 0.00 H new ATOM 0 HB2 CYS A 68 81.581 -7.235 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 68 81.322 -5.505 -1.976 1.00 0.00 H new ATOM 979 N PHE A 69 80.202 -8.527 -4.343 1.00 0.00 N ATOM 980 CA PHE A 69 80.189 -9.920 -4.797 1.00 0.00 C ATOM 981 C PHE A 69 81.527 -10.586 -4.504 1.00 0.00 C ATOM 982 O PHE A 69 82.574 -10.155 -4.988 1.00 0.00 O ATOM 983 CB PHE A 69 79.894 -9.990 -6.305 1.00 0.00 C ATOM 984 CG PHE A 69 78.607 -9.249 -6.654 1.00 0.00 C ATOM 985 CD1 PHE A 69 77.454 -9.358 -5.849 1.00 0.00 C ATOM 986 CD2 PHE A 69 78.567 -8.449 -7.806 1.00 0.00 C ATOM 987 CE1 PHE A 69 76.287 -8.670 -6.197 1.00 0.00 C ATOM 988 CE2 PHE A 69 77.395 -7.764 -8.148 1.00 0.00 C ATOM 989 CZ PHE A 69 76.258 -7.873 -7.344 1.00 0.00 C ATOM 0 H PHE A 69 80.675 -7.879 -4.973 1.00 0.00 H new ATOM 0 HA PHE A 69 79.403 -10.449 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 69 80.726 -9.559 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.811 -11.032 -6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 69 77.472 -9.974 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 69 79.443 -8.361 -8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 69 75.406 -8.755 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 69 77.370 -7.150 -9.036 1.00 0.00 H new ATOM 0 HZ PHE A 69 75.356 -7.341 -7.609 1.00 0.00 H new ATOM 999 N HIS A 70 81.475 -11.648 -3.699 1.00 0.00 N ATOM 1000 CA HIS A 70 82.672 -12.393 -3.323 1.00 0.00 C ATOM 1001 C HIS A 70 82.324 -13.860 -3.074 1.00 0.00 C ATOM 1002 O HIS A 70 81.269 -14.174 -2.525 1.00 0.00 O ATOM 1003 CB HIS A 70 83.284 -11.787 -2.057 1.00 0.00 C ATOM 1004 CG HIS A 70 84.654 -12.369 -1.797 1.00 0.00 C ATOM 1005 ND1 HIS A 70 85.254 -12.286 -0.550 1.00 0.00 N ATOM 1006 CD2 HIS A 70 85.554 -13.037 -2.598 1.00 0.00 C ATOM 1007 CE1 HIS A 70 86.456 -12.883 -0.634 1.00 0.00 C ATOM 1008 NE2 HIS A 70 86.690 -13.357 -1.859 1.00 0.00 N ATOM 0 H HIS A 70 80.612 -12.011 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 70 83.394 -12.333 -4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 70 83.357 -10.705 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 70 82.633 -11.980 -1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 70 85.402 -13.276 -3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 70 87.148 -12.968 0.191 1.00 0.00 H new ATOM 0 HE2 HIS A 70 87.522 -13.848 -2.184 1.00 0.00 H new ATOM 1016 N GLN A 71 83.220 -14.749 -3.486 1.00 0.00 N ATOM 1017 CA GLN A 71 83.014 -16.184 -3.310 1.00 0.00 C ATOM 1018 C GLN A 71 81.797 -16.664 -4.106 1.00 0.00 C ATOM 1019 O GLN A 71 81.342 -17.794 -3.938 1.00 0.00 O ATOM 1020 CB GLN A 71 82.821 -16.525 -1.821 1.00 0.00 C ATOM 1021 CG GLN A 71 83.199 -17.999 -1.571 1.00 0.00 C ATOM 1022 CD GLN A 71 82.494 -18.538 -0.330 1.00 0.00 C ATOM 1023 OE1 GLN A 71 82.381 -19.754 -0.162 1.00 0.00 O ATOM 1024 NE2 GLN A 71 82.009 -17.710 0.551 1.00 0.00 N ATOM 0 H GLN A 71 84.097 -14.503 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 71 83.902 -16.694 -3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 71 83.439 -15.872 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 81.785 -16.351 -1.530 1.00 0.00 H new ATOM 0 HG2 GLN A 71 82.928 -18.601 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 71 84.279 -18.086 -1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 71 82.103 -16.704 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 71 81.535 -18.068 1.381 1.00 0.00 H new ATOM 1033 N GLY A 72 81.288 -15.808 -4.980 1.00 0.00 N ATOM 1034 CA GLY A 72 80.145 -16.170 -5.813 1.00 0.00 C ATOM 1035 C GLY A 72 78.838 -16.195 -5.019 1.00 0.00 C ATOM 1036 O GLY A 72 77.830 -16.717 -5.498 1.00 0.00 O ATOM 0 H GLY A 72 81.643 -14.864 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 72 80.056 -15.459 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 72 80.317 -17.150 -6.258 1.00 0.00 H new ATOM 1040 N LYS A 73 78.854 -15.633 -3.807 1.00 0.00 N ATOM 1041 CA LYS A 73 77.651 -15.595 -2.962 1.00 0.00 C ATOM 1042 C LYS A 73 77.317 -14.157 -2.579 1.00 0.00 C ATOM 1043 O LYS A 73 78.211 -13.335 -2.381 1.00 0.00 O ATOM 1044 CB LYS A 73 77.861 -16.407 -1.684 1.00 0.00 C ATOM 1045 CG LYS A 73 78.097 -17.881 -2.027 1.00 0.00 C ATOM 1046 CD LYS A 73 78.013 -18.728 -0.741 1.00 0.00 C ATOM 1047 CE LYS A 73 78.852 -19.999 -0.884 1.00 0.00 C ATOM 1048 NZ LYS A 73 78.789 -20.769 0.390 1.00 0.00 N1+ ATOM 0 H LYS A 73 79.678 -15.201 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 73 76.829 -16.026 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.714 -16.014 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.989 -16.312 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.354 -18.221 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.074 -18.005 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.366 -18.145 0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 73 76.975 -18.991 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 73 78.479 -20.606 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.885 -19.743 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 79.357 -21.635 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.164 -20.187 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 77.801 -21.023 0.594 1.00 0.00 H new ATOM 1062 N GLU A 74 76.025 -13.859 -2.486 1.00 0.00 N ATOM 1063 CA GLU A 74 75.587 -12.509 -2.141 1.00 0.00 C ATOM 1064 C GLU A 74 75.721 -12.264 -0.639 1.00 0.00 C ATOM 1065 O GLU A 74 74.949 -12.795 0.159 1.00 0.00 O ATOM 1066 CB GLU A 74 74.128 -12.313 -2.588 1.00 0.00 C ATOM 1067 CG GLU A 74 73.739 -10.808 -2.606 1.00 0.00 C ATOM 1068 CD GLU A 74 72.850 -10.497 -3.812 1.00 0.00 C ATOM 1069 OE1 GLU A 74 73.251 -10.827 -4.917 1.00 0.00 O ATOM 1070 OE2 GLU A 74 71.787 -9.934 -3.612 1.00 0.00 O1- ATOM 0 H GLU A 74 75.269 -14.526 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 74 76.222 -11.789 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.990 -12.738 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 74 73.463 -12.854 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.215 -10.551 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 74 74.639 -10.194 -2.643 1.00 0.00 H new ATOM 1077 N TYR A 75 76.706 -11.447 -0.269 1.00 0.00 N ATOM 1078 CA TYR A 75 76.952 -11.115 1.140 1.00 0.00 C ATOM 1079 C TYR A 75 76.531 -9.670 1.415 1.00 0.00 C ATOM 1080 O TYR A 75 76.668 -8.797 0.559 1.00 0.00 O ATOM 1081 CB TYR A 75 78.455 -11.327 1.478 1.00 0.00 C ATOM 1082 CG TYR A 75 78.636 -12.546 2.371 1.00 0.00 C ATOM 1083 CD1 TYR A 75 78.078 -13.774 1.998 1.00 0.00 C ATOM 1084 CD2 TYR A 75 79.356 -12.443 3.571 1.00 0.00 C ATOM 1085 CE1 TYR A 75 78.237 -14.897 2.820 1.00 0.00 C ATOM 1086 CE2 TYR A 75 79.516 -13.567 4.392 1.00 0.00 C ATOM 1087 CZ TYR A 75 78.956 -14.793 4.017 1.00 0.00 C ATOM 1088 OH TYR A 75 79.113 -15.901 4.826 1.00 0.00 O ATOM 0 H TYR A 75 77.349 -11.001 -0.923 1.00 0.00 H new ATOM 0 HA TYR A 75 76.360 -11.773 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 75 79.026 -11.455 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 75 78.850 -10.442 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 75 77.524 -13.856 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 75 79.787 -11.497 3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 75 77.805 -15.843 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 75 80.072 -13.487 5.315 1.00 0.00 H new ATOM 0 HH TYR A 75 79.638 -15.657 5.617 1.00 0.00 H new ATOM 1098 N ALA A 76 76.025 -9.436 2.620 1.00 0.00 N ATOM 1099 CA ALA A 76 75.592 -8.102 3.010 1.00 0.00 C ATOM 1100 C ALA A 76 76.818 -7.215 3.240 1.00 0.00 C ATOM 1101 O ALA A 76 77.904 -7.716 3.525 1.00 0.00 O ATOM 1102 CB ALA A 76 74.734 -8.190 4.293 1.00 0.00 C ATOM 0 H ALA A 76 75.905 -10.149 3.340 1.00 0.00 H new ATOM 0 HA ALA A 76 74.987 -7.663 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.411 -7.190 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 76 73.860 -8.814 4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 76 75.325 -8.628 5.097 1.00 0.00 H new ATOM 1108 N PRO A 77 76.674 -5.925 3.121 1.00 0.00 N ATOM 1109 CA PRO A 77 77.812 -4.989 3.330 1.00 0.00 C ATOM 1110 C PRO A 77 78.294 -4.972 4.788 1.00 0.00 C ATOM 1111 O PRO A 77 77.489 -5.075 5.714 1.00 0.00 O ATOM 1112 CB PRO A 77 77.249 -3.627 2.885 1.00 0.00 C ATOM 1113 CG PRO A 77 75.763 -3.750 3.034 1.00 0.00 C ATOM 1114 CD PRO A 77 75.430 -5.220 2.775 1.00 0.00 C ATOM 0 HA PRO A 77 78.698 -5.279 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.641 -2.818 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 77 77.525 -3.405 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 77 75.445 -3.449 4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 77 75.246 -3.103 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.595 -5.556 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 77 75.149 -5.390 1.736 1.00 0.00 H new ATOM 1122 N GLY A 78 79.611 -4.829 4.987 1.00 0.00 N ATOM 1123 CA GLY A 78 80.168 -4.788 6.341 1.00 0.00 C ATOM 1124 C GLY A 78 80.253 -6.177 6.965 1.00 0.00 C ATOM 1125 O GLY A 78 81.087 -6.415 7.836 1.00 0.00 O ATOM 0 H GLY A 78 80.299 -4.741 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 78 81.162 -4.342 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 78 79.550 -4.146 6.968 1.00 0.00 H new ATOM 1129 N GLU A 79 79.400 -7.098 6.527 1.00 0.00 N ATOM 1130 CA GLU A 79 79.430 -8.448 7.087 1.00 0.00 C ATOM 1131 C GLU A 79 80.877 -8.955 7.109 1.00 0.00 C ATOM 1132 O GLU A 79 81.773 -8.319 6.551 1.00 0.00 O ATOM 1133 CB GLU A 79 78.525 -9.403 6.261 1.00 0.00 C ATOM 1134 CG GLU A 79 77.565 -10.204 7.177 1.00 0.00 C ATOM 1135 CD GLU A 79 77.222 -11.554 6.550 1.00 0.00 C ATOM 1136 OE1 GLU A 79 76.822 -11.567 5.398 1.00 0.00 O ATOM 1137 OE2 GLU A 79 77.370 -12.555 7.232 1.00 0.00 O1- ATOM 0 H GLU A 79 78.696 -6.943 5.805 1.00 0.00 H new ATOM 0 HA GLU A 79 79.044 -8.423 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 79 77.946 -8.826 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 79 79.147 -10.093 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 79 78.028 -10.357 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.652 -9.632 7.344 1.00 0.00 H new ATOM 1144 N THR A 80 81.104 -10.071 7.799 1.00 0.00 N ATOM 1145 CA THR A 80 82.451 -10.628 7.941 1.00 0.00 C ATOM 1146 C THR A 80 82.632 -11.876 7.083 1.00 0.00 C ATOM 1147 O THR A 80 81.888 -12.849 7.217 1.00 0.00 O ATOM 1148 CB THR A 80 82.692 -10.998 9.412 1.00 0.00 C ATOM 1149 OG1 THR A 80 82.375 -9.879 10.227 1.00 0.00 O ATOM 1150 CG2 THR A 80 84.170 -11.393 9.651 1.00 0.00 C ATOM 0 H THR A 80 80.375 -10.608 8.269 1.00 0.00 H new ATOM 0 HA THR A 80 83.166 -9.875 7.610 1.00 0.00 H new ATOM 0 HB THR A 80 82.060 -11.849 9.665 1.00 0.00 H new ATOM 0 HG1 THR A 80 82.524 -10.107 11.168 1.00 0.00 H new ATOM 0 HG21 THR A 80 84.313 -11.650 10.701 1.00 0.00 H new ATOM 0 HG22 THR A 80 84.422 -12.252 9.029 1.00 0.00 H new ATOM 0 HG23 THR A 80 84.817 -10.555 9.392 1.00 0.00 H new ATOM 1158 N VAL A 81 83.677 -11.870 6.257 1.00 0.00 N ATOM 1159 CA VAL A 81 84.022 -13.032 5.435 1.00 0.00 C ATOM 1160 C VAL A 81 85.375 -13.536 5.900 1.00 0.00 C ATOM 1161 O VAL A 81 86.295 -12.745 6.117 1.00 0.00 O ATOM 1162 CB VAL A 81 84.102 -12.650 3.945 1.00 0.00 C ATOM 1163 CG1 VAL A 81 84.639 -13.840 3.091 1.00 0.00 C ATOM 1164 CG2 VAL A 81 82.705 -12.234 3.455 1.00 0.00 C ATOM 0 H VAL A 81 84.301 -11.072 6.138 1.00 0.00 H new ATOM 0 HA VAL A 81 83.255 -13.799 5.543 1.00 0.00 H new ATOM 0 HB VAL A 81 84.795 -11.817 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 81 84.686 -13.544 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 81 85.636 -14.114 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 81 83.971 -14.695 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 81 82.755 -11.962 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 81 82.012 -13.066 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 81 82.356 -11.379 4.034 1.00 0.00 H new ATOM 1174 N LYS A 82 85.490 -14.843 6.109 1.00 0.00 N ATOM 1175 CA LYS A 82 86.733 -15.420 6.614 1.00 0.00 C ATOM 1176 C LYS A 82 87.081 -16.699 5.860 1.00 0.00 C ATOM 1177 O LYS A 82 86.367 -17.697 5.942 1.00 0.00 O ATOM 1178 CB LYS A 82 86.566 -15.701 8.120 1.00 0.00 C ATOM 1179 CG LYS A 82 87.768 -16.517 8.696 1.00 0.00 C ATOM 1180 CD LYS A 82 87.292 -17.867 9.285 1.00 0.00 C ATOM 1181 CE LYS A 82 88.437 -18.885 9.264 1.00 0.00 C ATOM 1182 NZ LYS A 82 89.577 -18.387 10.083 1.00 0.00 N1+ ATOM 0 H LYS A 82 84.745 -15.519 5.939 1.00 0.00 H new ATOM 0 HA LYS A 82 87.553 -14.718 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.477 -14.757 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 82 85.640 -16.252 8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.500 -16.698 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.269 -15.935 9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.942 -17.723 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.448 -18.246 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.090 -19.843 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 82 88.763 -19.057 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.459 -18.472 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 89.417 -17.389 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 89.652 -18.951 10.953 1.00 0.00 H new ATOM 1196 N ILE A 83 88.221 -16.670 5.163 1.00 0.00 N ATOM 1197 CA ILE A 83 88.712 -17.840 4.433 1.00 0.00 C ATOM 1198 C ILE A 83 90.112 -18.192 4.929 1.00 0.00 C ATOM 1199 O ILE A 83 91.051 -17.414 4.763 1.00 0.00 O ATOM 1200 CB ILE A 83 88.754 -17.556 2.916 1.00 0.00 C ATOM 1201 CG1 ILE A 83 87.478 -16.802 2.500 1.00 0.00 C ATOM 1202 CG2 ILE A 83 88.867 -18.878 2.128 1.00 0.00 C ATOM 1203 CD1 ILE A 83 87.564 -16.402 1.024 1.00 0.00 C ATOM 0 H ILE A 83 88.820 -15.848 5.090 1.00 0.00 H new ATOM 0 HA ILE A 83 88.035 -18.676 4.610 1.00 0.00 H new ATOM 0 HB ILE A 83 89.626 -16.942 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 83 86.604 -17.432 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 83 87.352 -15.914 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 83 88.896 -18.663 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 83 89.780 -19.398 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 83 88.005 -19.508 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 83 86.657 -15.869 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 83 88.428 -15.755 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 83 87.668 -17.297 0.410 1.00 0.00 H new ATOM 1215 N GLY A 84 90.243 -19.365 5.536 1.00 0.00 N ATOM 1216 CA GLY A 84 91.533 -19.806 6.054 1.00 0.00 C ATOM 1217 C GLY A 84 91.875 -19.105 7.368 1.00 0.00 C ATOM 1218 O GLY A 84 91.274 -19.384 8.406 1.00 0.00 O ATOM 0 H GLY A 84 89.478 -20.024 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.515 -20.885 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.311 -19.603 5.318 1.00 0.00 H new ATOM 1222 N CYS A 85 92.859 -18.204 7.317 1.00 0.00 N ATOM 1223 CA CYS A 85 93.301 -17.470 8.508 1.00 0.00 C ATOM 1224 C CYS A 85 93.023 -15.978 8.352 1.00 0.00 C ATOM 1225 O CYS A 85 92.742 -15.283 9.330 1.00 0.00 O ATOM 1226 CB CYS A 85 94.803 -17.712 8.734 1.00 0.00 C ATOM 1227 SG CYS A 85 95.169 -17.750 10.507 1.00 0.00 S ATOM 0 H CYS A 85 93.365 -17.964 6.465 1.00 0.00 H new ATOM 0 HA CYS A 85 92.745 -17.831 9.373 1.00 0.00 H new ATOM 0 HB2 CYS A 85 95.101 -18.654 8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 85 95.382 -16.924 8.252 1.00 0.00 H new ATOM 1232 N ASN A 86 93.082 -15.499 7.118 1.00 0.00 N ATOM 1233 CA ASN A 86 92.814 -14.095 6.846 1.00 0.00 C ATOM 1234 C ASN A 86 91.312 -13.835 6.859 1.00 0.00 C ATOM 1235 O ASN A 86 90.509 -14.724 6.572 1.00 0.00 O ATOM 1236 CB ASN A 86 93.406 -13.693 5.494 1.00 0.00 C ATOM 1237 CG ASN A 86 93.030 -14.716 4.430 1.00 0.00 C ATOM 1238 OD1 ASN A 86 92.889 -15.902 4.728 1.00 0.00 O ATOM 1239 ND2 ASN A 86 92.860 -14.327 3.195 1.00 0.00 N ATOM 0 H ASN A 86 93.311 -16.057 6.295 1.00 0.00 H new ATOM 0 HA ASN A 86 93.283 -13.493 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 86 93.039 -12.707 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 86 94.491 -13.620 5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 86 92.610 -15.006 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 86 92.977 -13.344 2.949 1.00 0.00 H new ATOM 1246 N THR A 87 90.945 -12.597 7.181 1.00 0.00 N ATOM 1247 CA THR A 87 89.546 -12.178 7.228 1.00 0.00 C ATOM 1248 C THR A 87 89.362 -10.851 6.502 1.00 0.00 C ATOM 1249 O THR A 87 90.279 -10.033 6.439 1.00 0.00 O ATOM 1250 CB THR A 87 89.071 -12.044 8.690 1.00 0.00 C ATOM 1251 OG1 THR A 87 87.979 -11.136 8.740 1.00 0.00 O ATOM 1252 CG2 THR A 87 90.208 -11.544 9.614 1.00 0.00 C ATOM 0 H THR A 87 91.607 -11.857 7.416 1.00 0.00 H new ATOM 0 HA THR A 87 88.946 -12.939 6.730 1.00 0.00 H new ATOM 0 HB THR A 87 88.763 -13.028 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 87 87.670 -11.047 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 87 89.837 -11.462 10.636 1.00 0.00 H new ATOM 0 HG22 THR A 87 91.038 -12.250 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 87 90.551 -10.567 9.273 1.00 0.00 H new ATOM 1260 N CYS A 88 88.164 -10.651 5.946 1.00 0.00 N ATOM 1261 CA CYS A 88 87.856 -9.421 5.213 1.00 0.00 C ATOM 1262 C CYS A 88 86.427 -8.969 5.511 1.00 0.00 C ATOM 1263 O CYS A 88 85.570 -9.775 5.870 1.00 0.00 O ATOM 1264 CB CYS A 88 88.029 -9.655 3.701 1.00 0.00 C ATOM 1265 SG CYS A 88 89.430 -10.772 3.414 1.00 0.00 S ATOM 0 H CYS A 88 87.396 -11.321 5.989 1.00 0.00 H new ATOM 0 HA CYS A 88 88.544 -8.639 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.118 -10.083 3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 88 88.198 -8.706 3.193 1.00 0.00 H new ATOM 1270 N VAL A 89 86.180 -7.668 5.348 1.00 0.00 N ATOM 1271 CA VAL A 89 84.852 -7.093 5.589 1.00 0.00 C ATOM 1272 C VAL A 89 84.458 -6.171 4.433 1.00 0.00 C ATOM 1273 O VAL A 89 85.316 -5.594 3.765 1.00 0.00 O ATOM 1274 CB VAL A 89 84.881 -6.286 6.900 1.00 0.00 C ATOM 1275 CG1 VAL A 89 84.759 -7.230 8.128 1.00 0.00 C ATOM 1276 CG2 VAL A 89 86.208 -5.512 6.958 1.00 0.00 C ATOM 0 H VAL A 89 86.882 -6.991 5.050 1.00 0.00 H new ATOM 0 HA VAL A 89 84.121 -7.898 5.664 1.00 0.00 H new ATOM 0 HB VAL A 89 84.039 -5.595 6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 84.782 -6.640 9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 89 83.819 -7.779 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 89 85.591 -7.934 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 89 86.251 -4.932 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 89 87.041 -6.215 6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 89 86.275 -4.839 6.103 1.00 0.00 H new ATOM 1286 N CYS A 90 83.147 -6.027 4.212 1.00 0.00 N ATOM 1287 CA CYS A 90 82.641 -5.159 3.142 1.00 0.00 C ATOM 1288 C CYS A 90 82.388 -3.744 3.671 1.00 0.00 C ATOM 1289 O CYS A 90 81.332 -3.435 4.209 1.00 0.00 O ATOM 1290 CB CYS A 90 81.344 -5.728 2.551 1.00 0.00 C ATOM 1291 SG CYS A 90 81.704 -6.767 1.114 1.00 0.00 S ATOM 0 H CYS A 90 82.422 -6.496 4.755 1.00 0.00 H new ATOM 0 HA CYS A 90 83.398 -5.115 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 90 80.819 -6.312 3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 90 80.681 -4.913 2.261 1.00 0.00 H new ATOM 1296 N ARG A 91 83.349 -2.886 3.435 1.00 0.00 N ATOM 1297 CA ARG A 91 83.259 -1.480 3.827 1.00 0.00 C ATOM 1298 C ARG A 91 83.610 -0.594 2.639 1.00 0.00 C ATOM 1299 O ARG A 91 84.588 -0.842 1.933 1.00 0.00 O ATOM 1300 CB ARG A 91 84.246 -1.211 4.979 1.00 0.00 C ATOM 1301 CG ARG A 91 83.602 -1.549 6.338 1.00 0.00 C ATOM 1302 CD ARG A 91 82.616 -0.442 6.787 1.00 0.00 C ATOM 1303 NE ARG A 91 82.767 -0.201 8.228 1.00 0.00 N ATOM 1304 CZ ARG A 91 83.362 0.898 8.715 1.00 0.00 C ATOM 1305 NH1 ARG A 91 83.815 1.827 7.911 1.00 0.00 N ATOM 1306 NH2 ARG A 91 83.496 1.047 10.003 1.00 0.00 N1+ ATOM 0 H ARG A 91 84.221 -3.131 2.966 1.00 0.00 H new ATOM 0 HA ARG A 91 82.243 -1.257 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 91 85.147 -1.808 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 91 84.552 -0.165 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 91 83.075 -2.500 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.381 -1.672 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 91 82.808 0.477 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 91 81.592 -0.741 6.564 1.00 0.00 H new ATOM 0 HE ARG A 91 82.406 -0.895 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 91 83.717 1.720 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.265 2.658 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 91 83.149 0.329 10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 91 83.948 1.882 10.375 1.00 0.00 H new ATOM 1320 N ASP A 92 82.818 0.451 2.439 1.00 0.00 N ATOM 1321 CA ASP A 92 83.057 1.387 1.351 1.00 0.00 C ATOM 1322 C ASP A 92 82.969 0.698 -0.005 1.00 0.00 C ATOM 1323 O ASP A 92 83.696 1.049 -0.931 1.00 0.00 O ATOM 1324 CB ASP A 92 84.435 2.038 1.515 1.00 0.00 C ATOM 1325 CG ASP A 92 84.518 3.321 0.693 1.00 0.00 C ATOM 1326 OD1 ASP A 92 83.509 3.996 0.577 1.00 0.00 O1- ATOM 1327 OD2 ASP A 92 85.593 3.611 0.194 1.00 0.00 O ATOM 0 H ASP A 92 82.006 0.671 3.016 1.00 0.00 H new ATOM 0 HA ASP A 92 82.283 2.154 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 92 84.617 2.260 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 92 85.213 1.344 1.197 1.00 0.00 H new ATOM 1332 N ARG A 93 82.057 -0.264 -0.123 1.00 0.00 N ATOM 1333 CA ARG A 93 81.852 -0.970 -1.387 1.00 0.00 C ATOM 1334 C ARG A 93 83.138 -1.637 -1.887 1.00 0.00 C ATOM 1335 O ARG A 93 83.098 -2.437 -2.822 1.00 0.00 O ATOM 1336 CB ARG A 93 81.379 0.014 -2.463 1.00 0.00 C ATOM 1337 CG ARG A 93 80.094 0.774 -2.021 1.00 0.00 C ATOM 1338 CD ARG A 93 78.798 0.160 -2.626 1.00 0.00 C ATOM 1339 NE ARG A 93 79.064 -0.579 -3.860 1.00 0.00 N ATOM 1340 CZ ARG A 93 79.259 0.043 -5.018 1.00 0.00 C ATOM 1341 NH1 ARG A 93 79.130 1.340 -5.097 1.00 0.00 N ATOM 1342 NH2 ARG A 93 79.561 -0.647 -6.084 1.00 0.00 N1+ ATOM 0 H ARG A 93 81.450 -0.572 0.637 1.00 0.00 H new ATOM 0 HA ARG A 93 81.103 -1.740 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 93 82.172 0.731 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 93 81.182 -0.526 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.024 0.761 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 93 80.172 1.818 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 93 78.338 -0.507 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 93 78.080 0.955 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 93 79.101 -1.598 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 93 78.879 1.879 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 93 79.280 1.814 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 93 79.647 -1.662 -6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 93 79.711 -0.171 -6.974 1.00 0.00 H new ATOM 1356 N LYS A 94 84.276 -1.319 -1.267 1.00 0.00 N ATOM 1357 CA LYS A 94 85.555 -1.914 -1.672 1.00 0.00 C ATOM 1358 C LYS A 94 85.909 -3.073 -0.752 1.00 0.00 C ATOM 1359 O LYS A 94 85.526 -3.087 0.417 1.00 0.00 O ATOM 1360 CB LYS A 94 86.681 -0.870 -1.625 1.00 0.00 C ATOM 1361 CG LYS A 94 86.560 0.098 -2.805 1.00 0.00 C ATOM 1362 CD LYS A 94 87.750 1.061 -2.785 1.00 0.00 C ATOM 1363 CE LYS A 94 87.589 2.102 -3.892 1.00 0.00 C ATOM 1364 NZ LYS A 94 86.449 2.995 -3.553 1.00 0.00 N1+ ATOM 0 H LYS A 94 84.341 -0.660 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 94 85.449 -2.277 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 94 86.634 -0.317 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 94 87.650 -1.369 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 94 86.539 -0.455 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 94 85.625 0.654 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 94 87.815 1.554 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 94 88.679 0.509 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 94 88.505 2.684 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 94 87.411 1.610 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 86.550 3.896 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 85.556 2.539 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 86.442 3.176 -2.529 1.00 0.00 H new ATOM 1378 N TRP A 95 86.677 -4.027 -1.275 1.00 0.00 N ATOM 1379 CA TRP A 95 87.119 -5.171 -0.479 1.00 0.00 C ATOM 1380 C TRP A 95 88.491 -4.862 0.099 1.00 0.00 C ATOM 1381 O TRP A 95 89.449 -4.637 -0.641 1.00 0.00 O ATOM 1382 CB TRP A 95 87.190 -6.423 -1.369 1.00 0.00 C ATOM 1383 CG TRP A 95 85.848 -7.078 -1.433 1.00 0.00 C ATOM 1384 CD1 TRP A 95 85.016 -7.042 -2.498 1.00 0.00 C ATOM 1385 CD2 TRP A 95 85.171 -7.862 -0.409 1.00 0.00 C ATOM 1386 NE1 TRP A 95 83.870 -7.755 -2.193 1.00 0.00 N ATOM 1387 CE2 TRP A 95 83.919 -8.281 -0.917 1.00 0.00 C ATOM 1388 CE3 TRP A 95 85.520 -8.247 0.899 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 83.043 -9.054 -0.155 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 84.639 -9.025 1.670 1.00 0.00 C ATOM 1391 CH2 TRP A 95 83.403 -9.428 1.143 1.00 0.00 C ATOM 0 H TRP A 95 87.005 -4.031 -2.241 1.00 0.00 H new ATOM 0 HA TRP A 95 86.414 -5.358 0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 95 87.519 -6.149 -2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 95 87.927 -7.121 -0.971 1.00 0.00 H new ATOM 0 HD1 TRP A 95 85.213 -6.539 -3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 95 83.085 -7.877 -2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 95 86.470 -7.943 1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 82.093 -9.362 -0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 84.915 -9.314 2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 95 82.730 -10.027 1.739 1.00 0.00 H new ATOM 1402 N ASN A 96 88.590 -4.880 1.425 1.00 0.00 N ATOM 1403 CA ASN A 96 89.865 -4.631 2.094 1.00 0.00 C ATOM 1404 C ASN A 96 90.097 -5.690 3.165 1.00 0.00 C ATOM 1405 O ASN A 96 89.549 -5.594 4.264 1.00 0.00 O ATOM 1406 CB ASN A 96 89.847 -3.226 2.723 1.00 0.00 C ATOM 1407 CG ASN A 96 91.251 -2.626 2.734 1.00 0.00 C ATOM 1408 OD1 ASN A 96 91.785 -2.303 3.793 1.00 0.00 O ATOM 1409 ND2 ASN A 96 91.878 -2.460 1.602 1.00 0.00 N ATOM 0 H ASN A 96 87.809 -5.063 2.055 1.00 0.00 H new ATOM 0 HA ASN A 96 90.677 -4.684 1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 96 89.173 -2.579 2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 96 89.461 -3.282 3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 96 92.816 -2.060 1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 96 91.430 -2.730 0.726 1.00 0.00 H new ATOM 1416 N CYS A 97 90.897 -6.702 2.857 1.00 0.00 N ATOM 1417 CA CYS A 97 91.143 -7.748 3.834 1.00 0.00 C ATOM 1418 C CYS A 97 91.951 -7.197 5.000 1.00 0.00 C ATOM 1419 O CYS A 97 92.846 -6.374 4.811 1.00 0.00 O ATOM 1420 CB CYS A 97 91.837 -8.943 3.182 1.00 0.00 C ATOM 1421 SG CYS A 97 90.641 -9.793 2.118 1.00 0.00 S ATOM 0 H CYS A 97 91.374 -6.819 1.963 1.00 0.00 H new ATOM 0 HA CYS A 97 90.188 -8.100 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 97 92.695 -8.610 2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 97 92.216 -9.623 3.945 1.00 0.00 H new ATOM 1426 N THR A 98 91.535 -7.551 6.215 1.00 0.00 N ATOM 1427 CA THR A 98 92.129 -6.961 7.414 1.00 0.00 C ATOM 1428 C THR A 98 93.652 -7.029 7.429 1.00 0.00 C ATOM 1429 O THR A 98 94.294 -5.991 7.587 1.00 0.00 O ATOM 1430 CB THR A 98 91.555 -7.665 8.676 1.00 0.00 C ATOM 1431 OG1 THR A 98 91.241 -9.001 8.341 1.00 0.00 O ATOM 1432 CG2 THR A 98 90.266 -6.977 9.204 1.00 0.00 C ATOM 0 H THR A 98 90.799 -8.234 6.395 1.00 0.00 H new ATOM 0 HA THR A 98 91.866 -5.903 7.412 1.00 0.00 H new ATOM 0 HB THR A 98 92.310 -7.610 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 98 90.448 -9.016 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 98 89.906 -7.507 10.086 1.00 0.00 H new ATOM 0 HG22 THR A 98 90.487 -5.943 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 98 89.499 -6.998 8.430 1.00 0.00 H new ATOM 1440 N ASP A 99 94.258 -8.187 7.264 1.00 0.00 N ATOM 1441 CA ASP A 99 95.716 -8.277 7.271 1.00 0.00 C ATOM 1442 C ASP A 99 96.241 -8.216 8.706 1.00 0.00 C ATOM 1443 O ASP A 99 97.428 -7.981 8.935 1.00 0.00 O ATOM 1444 CB ASP A 99 96.343 -7.145 6.408 1.00 0.00 C ATOM 1445 CG ASP A 99 97.488 -7.684 5.545 1.00 0.00 C ATOM 1446 OD1 ASP A 99 97.205 -8.191 4.472 1.00 0.00 O ATOM 1447 OD2 ASP A 99 98.626 -7.577 5.970 1.00 0.00 O1- ATOM 0 H ASP A 99 93.775 -9.075 7.124 1.00 0.00 H new ATOM 0 HA ASP A 99 96.006 -9.233 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 99 95.578 -6.703 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 99 96.714 -6.351 7.056 1.00 0.00 H new ATOM 1452 N HIS A 100 95.362 -8.509 9.664 1.00 0.00 N ATOM 1453 CA HIS A 100 95.764 -8.570 11.067 1.00 0.00 C ATOM 1454 C HIS A 100 96.259 -9.993 11.366 1.00 0.00 C ATOM 1455 O HIS A 100 95.523 -10.962 11.181 1.00 0.00 O ATOM 1456 CB HIS A 100 94.577 -8.152 11.982 1.00 0.00 C ATOM 1457 CG HIS A 100 93.993 -9.339 12.705 1.00 0.00 C ATOM 1458 ND1 HIS A 100 92.910 -10.047 12.215 1.00 0.00 N ATOM 1459 CD2 HIS A 100 94.356 -9.965 13.872 1.00 0.00 C ATOM 1460 CE1 HIS A 100 92.662 -11.052 13.073 1.00 0.00 C ATOM 1461 NE2 HIS A 100 93.514 -11.048 14.101 1.00 0.00 N ATOM 0 H HIS A 100 94.375 -8.706 9.496 1.00 0.00 H new ATOM 0 HA HIS A 100 96.576 -7.871 11.269 1.00 0.00 H new ATOM 0 HB2 HIS A 100 94.918 -7.414 12.708 1.00 0.00 H new ATOM 0 HB3 HIS A 100 93.804 -7.674 11.381 1.00 0.00 H new ATOM 0 HD2 HIS A 100 95.170 -9.663 14.514 1.00 0.00 H new ATOM 0 HE1 HIS A 100 91.870 -11.775 12.946 1.00 0.00 H new ATOM 0 HE2 HIS A 100 93.541 -11.699 14.886 1.00 0.00 H new ATOM 1469 N VAL A 101 97.529 -10.098 11.762 1.00 0.00 N ATOM 1470 CA VAL A 101 98.181 -11.392 12.034 1.00 0.00 C ATOM 1471 C VAL A 101 97.184 -12.514 12.357 1.00 0.00 C ATOM 1472 O VAL A 101 96.845 -12.757 13.515 1.00 0.00 O ATOM 1473 CB VAL A 101 99.190 -11.211 13.187 1.00 0.00 C ATOM 1474 CG1 VAL A 101 98.512 -10.472 14.364 1.00 0.00 C ATOM 1475 CG2 VAL A 101 99.764 -12.582 13.663 1.00 0.00 C ATOM 0 H VAL A 101 98.139 -9.293 11.905 1.00 0.00 H new ATOM 0 HA VAL A 101 98.696 -11.703 11.125 1.00 0.00 H new ATOM 0 HB VAL A 101 100.025 -10.614 12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 101 99.228 -10.346 15.176 1.00 0.00 H new ATOM 0 HG12 VAL A 101 98.168 -9.493 14.029 1.00 0.00 H new ATOM 0 HG13 VAL A 101 97.661 -11.054 14.718 1.00 0.00 H new ATOM 0 HG21 VAL A 101 100.471 -12.418 14.476 1.00 0.00 H new ATOM 0 HG22 VAL A 101 98.949 -13.216 14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 101 100.273 -13.071 12.833 1.00 0.00 H new ATOM 1485 N CYS A 102 96.771 -13.244 11.319 1.00 0.00 N ATOM 1486 CA CYS A 102 95.865 -14.375 11.498 1.00 0.00 C ATOM 1487 C CYS A 102 94.743 -14.028 12.478 1.00 0.00 C ATOM 1488 O CYS A 102 94.578 -12.873 12.873 1.00 0.00 O ATOM 1489 CB CYS A 102 96.668 -15.594 12.010 1.00 0.00 C ATOM 1490 SG CYS A 102 96.934 -16.777 10.662 1.00 0.00 S ATOM 0 H CYS A 102 97.048 -13.072 10.353 1.00 0.00 H new ATOM 0 HA CYS A 102 95.406 -14.616 10.539 1.00 0.00 H new ATOM 0 HB2 CYS A 102 97.627 -15.265 12.410 1.00 0.00 H new ATOM 0 HB3 CYS A 102 96.131 -16.076 12.826 1.00 0.00 H new ATOM 1495 N ASP A 103 93.974 -15.044 12.862 1.00 0.00 N ATOM 1496 CA ASP A 103 92.872 -14.847 13.795 1.00 0.00 C ATOM 1497 C ASP A 103 93.405 -14.559 15.192 1.00 0.00 C ATOM 1498 O ASP A 103 93.870 -13.451 15.411 1.00 0.00 O ATOM 1499 CB ASP A 103 91.978 -16.090 13.831 1.00 0.00 C ATOM 1500 CG ASP A 103 92.819 -17.340 14.074 1.00 0.00 C ATOM 1501 OD1 ASP A 103 93.016 -17.684 15.229 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 93.252 -17.938 13.102 1.00 0.00 O ATOM 1503 OXT ASP A 103 93.345 -15.449 16.025 1.00 0.00 O ATOM 0 H ASP A 103 94.094 -16.005 12.543 1.00 0.00 H new ATOM 0 HA ASP A 103 92.284 -13.994 13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 103 91.232 -15.987 14.619 1.00 0.00 H new ATOM 0 HB3 ASP A 103 91.437 -16.185 12.889 1.00 0.00 H new TER 1508 ASP A 103