USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=17 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 98 THR OG1 : rot 85:sc= -2.73! USER MOD Set 1.2: A 100 HIS : no HD1:sc= -3.7! C(o=-6.4!,f=-9.9!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= -7.4! C(o=-7.4!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0836 (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= -0.158 USER MOD Single : A 10 MET CE :methyl -145:sc=-0.00192 (180deg=-1.69!) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.322 (180deg=-1.41!) USER MOD Single : A 19 ASN : amide:sc= -0.664 K(o=-0.66,f=-4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.248! USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= -0.981 (180deg=-2.36!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -0.451 X(o=-0.45,f=-0.1) USER MOD Single : A 58 ASN : amide:sc=-0.00579 K(o=-0.0058,f=-1.4!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.47) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0.00593 (180deg=-1.1!) USER MOD Single : A 75 TYR OH : rot -65:sc= 1.19 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= -2.29! (180deg=-2.35!) USER MOD Single : A 86 ASN : amide:sc= -3.51! C(o=-3.5!,f=-6.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -2.98! K(o=-3!,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.830 -0.715 -20.720 1.00 0.00 N ATOM 2 CA GLY A 1 50.940 -1.456 -20.057 1.00 0.00 C ATOM 3 C GLY A 1 51.869 -2.030 -21.119 1.00 0.00 C ATOM 4 O GLY A 1 51.470 -2.233 -22.265 1.00 0.00 O ATOM 0 H1 GLY A 1 50.024 0.306 -20.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.754 -1.018 -21.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.936 -0.915 -20.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 51.493 -0.789 -19.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 50.538 -2.258 -19.438 1.00 0.00 H new ATOM 10 N ALA A 2 53.113 -2.291 -20.729 1.00 0.00 N ATOM 11 CA ALA A 2 54.092 -2.846 -21.656 1.00 0.00 C ATOM 12 C ALA A 2 55.287 -3.404 -20.893 1.00 0.00 C ATOM 13 O ALA A 2 55.566 -2.989 -19.769 1.00 0.00 O ATOM 14 CB ALA A 2 54.564 -1.763 -22.628 1.00 0.00 C ATOM 0 H ALA A 2 53.464 -2.129 -19.785 1.00 0.00 H new ATOM 0 HA ALA A 2 53.621 -3.654 -22.216 1.00 0.00 H new ATOM 0 HB1 ALA A 2 55.295 -2.186 -23.317 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.712 -1.383 -23.191 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.022 -0.947 -22.069 1.00 0.00 H new ATOM 20 N MET A 3 55.978 -4.361 -21.503 1.00 0.00 N ATOM 21 CA MET A 3 57.131 -4.985 -20.858 1.00 0.00 C ATOM 22 C MET A 3 58.390 -4.157 -21.103 1.00 0.00 C ATOM 23 O MET A 3 58.868 -4.051 -22.233 1.00 0.00 O ATOM 24 CB MET A 3 57.335 -6.407 -21.404 1.00 0.00 C ATOM 25 CG MET A 3 55.981 -7.168 -21.501 1.00 0.00 C ATOM 26 SD MET A 3 56.050 -8.700 -20.523 1.00 0.00 S ATOM 27 CE MET A 3 54.592 -8.415 -19.482 1.00 0.00 C ATOM 0 H MET A 3 55.764 -4.720 -22.434 1.00 0.00 H new ATOM 0 HA MET A 3 56.942 -5.034 -19.786 1.00 0.00 H new ATOM 0 HB2 MET A 3 57.800 -6.359 -22.389 1.00 0.00 H new ATOM 0 HB3 MET A 3 58.018 -6.955 -20.755 1.00 0.00 H new ATOM 0 HG2 MET A 3 55.172 -6.533 -21.139 1.00 0.00 H new ATOM 0 HG3 MET A 3 55.761 -7.402 -22.543 1.00 0.00 H new ATOM 0 HE1 MET A 3 54.461 -9.256 -18.802 1.00 0.00 H new ATOM 0 HE2 MET A 3 54.730 -7.500 -18.906 1.00 0.00 H new ATOM 0 HE3 MET A 3 53.708 -8.317 -20.113 1.00 0.00 H new ATOM 37 N GLY A 4 58.923 -3.573 -20.032 1.00 0.00 N ATOM 38 CA GLY A 4 60.123 -2.752 -20.135 1.00 0.00 C ATOM 39 C GLY A 4 60.691 -2.441 -18.754 1.00 0.00 C ATOM 40 O GLY A 4 61.076 -3.344 -18.013 1.00 0.00 O ATOM 0 H GLY A 4 58.544 -3.653 -19.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.873 -3.271 -20.732 1.00 0.00 H new ATOM 0 HA3 GLY A 4 59.889 -1.822 -20.654 1.00 0.00 H new ATOM 44 N SER A 5 60.737 -1.155 -18.411 1.00 0.00 N ATOM 45 CA SER A 5 61.255 -0.729 -17.110 1.00 0.00 C ATOM 46 C SER A 5 60.558 0.547 -16.649 1.00 0.00 C ATOM 47 O SER A 5 60.648 1.577 -17.313 1.00 0.00 O ATOM 48 CB SER A 5 62.760 -0.479 -17.204 1.00 0.00 C ATOM 49 OG SER A 5 63.380 -1.578 -17.857 1.00 0.00 O ATOM 0 H SER A 5 60.424 -0.392 -19.012 1.00 0.00 H new ATOM 0 HA SER A 5 61.061 -1.521 -16.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 62.953 0.442 -17.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 63.181 -0.349 -16.207 1.00 0.00 H new ATOM 0 HG SER A 5 64.345 -1.419 -17.920 1.00 0.00 H new ATOM 55 N CYS A 6 59.873 0.468 -15.508 1.00 0.00 N ATOM 56 CA CYS A 6 59.148 1.611 -14.944 1.00 0.00 C ATOM 57 C CYS A 6 58.382 2.387 -16.032 1.00 0.00 C ATOM 58 O CYS A 6 58.965 3.078 -16.866 1.00 0.00 O ATOM 59 CB CYS A 6 60.123 2.524 -14.182 1.00 0.00 C ATOM 60 SG CYS A 6 61.011 3.608 -15.327 1.00 0.00 S ATOM 0 H CYS A 6 59.804 -0.383 -14.950 1.00 0.00 H new ATOM 0 HA CYS A 6 58.404 1.236 -14.242 1.00 0.00 H new ATOM 0 HB2 CYS A 6 59.575 3.124 -13.456 1.00 0.00 H new ATOM 0 HB3 CYS A 6 60.835 1.917 -13.622 1.00 0.00 H new ATOM 65 N ARG A 7 57.054 2.250 -16.032 1.00 0.00 N ATOM 66 CA ARG A 7 56.243 2.930 -17.043 1.00 0.00 C ATOM 67 C ARG A 7 56.342 4.455 -16.875 1.00 0.00 C ATOM 68 O ARG A 7 56.584 5.166 -17.851 1.00 0.00 O ATOM 69 CB ARG A 7 54.742 2.485 -17.033 1.00 0.00 C ATOM 70 CG ARG A 7 54.505 1.226 -16.172 1.00 0.00 C ATOM 71 CD ARG A 7 54.920 -0.032 -16.957 1.00 0.00 C ATOM 72 NE ARG A 7 55.946 0.298 -17.947 1.00 0.00 N ATOM 73 CZ ARG A 7 57.244 0.129 -17.701 1.00 0.00 C ATOM 74 NH1 ARG A 7 57.642 -0.333 -16.549 1.00 0.00 N ATOM 75 NH2 ARG A 7 58.120 0.434 -18.617 1.00 0.00 N1+ ATOM 0 H ARG A 7 56.528 1.689 -15.361 1.00 0.00 H new ATOM 0 HA ARG A 7 56.651 2.638 -18.011 1.00 0.00 H new ATOM 0 HB2 ARG A 7 54.127 3.301 -16.654 1.00 0.00 H new ATOM 0 HB3 ARG A 7 54.418 2.289 -18.055 1.00 0.00 H new ATOM 0 HG2 ARG A 7 55.078 1.294 -15.248 1.00 0.00 H new ATOM 0 HG3 ARG A 7 53.454 1.160 -15.891 1.00 0.00 H new ATOM 0 HD2 ARG A 7 55.299 -0.788 -16.270 1.00 0.00 H new ATOM 0 HD3 ARG A 7 54.050 -0.461 -17.455 1.00 0.00 H new ATOM 0 HE ARG A 7 55.658 0.669 -18.853 1.00 0.00 H new ATOM 0 HH11 ARG A 7 56.958 -0.567 -15.830 1.00 0.00 H new ATOM 0 HH12 ARG A 7 58.638 -0.460 -16.367 1.00 0.00 H new ATOM 0 HH21 ARG A 7 57.810 0.800 -19.517 1.00 0.00 H new ATOM 0 HH22 ARG A 7 59.115 0.306 -18.434 1.00 0.00 H new ATOM 89 N PRO A 8 56.155 4.968 -15.681 1.00 0.00 N ATOM 90 CA PRO A 8 56.223 6.436 -15.439 1.00 0.00 C ATOM 91 C PRO A 8 57.669 6.933 -15.224 1.00 0.00 C ATOM 92 O PRO A 8 58.300 6.582 -14.226 1.00 0.00 O ATOM 93 CB PRO A 8 55.379 6.612 -14.172 1.00 0.00 C ATOM 94 CG PRO A 8 55.538 5.326 -13.409 1.00 0.00 C ATOM 95 CD PRO A 8 55.861 4.225 -14.438 1.00 0.00 C ATOM 0 HA PRO A 8 55.863 7.016 -16.289 1.00 0.00 H new ATOM 0 HB2 PRO A 8 55.724 7.463 -13.585 1.00 0.00 H new ATOM 0 HB3 PRO A 8 54.333 6.797 -14.418 1.00 0.00 H new ATOM 0 HG2 PRO A 8 56.337 5.411 -12.673 1.00 0.00 H new ATOM 0 HG3 PRO A 8 54.626 5.087 -12.863 1.00 0.00 H new ATOM 0 HD2 PRO A 8 56.713 3.622 -14.123 1.00 0.00 H new ATOM 0 HD3 PRO A 8 55.020 3.544 -14.570 1.00 0.00 H new ATOM 103 N PRO A 9 58.205 7.746 -16.121 1.00 0.00 N ATOM 104 CA PRO A 9 59.590 8.287 -15.989 1.00 0.00 C ATOM 105 C PRO A 9 59.620 9.480 -15.038 1.00 0.00 C ATOM 106 O PRO A 9 58.593 9.821 -14.449 1.00 0.00 O ATOM 107 CB PRO A 9 59.950 8.696 -17.421 1.00 0.00 C ATOM 108 CG PRO A 9 58.647 9.090 -18.041 1.00 0.00 C ATOM 109 CD PRO A 9 57.559 8.247 -17.353 1.00 0.00 C ATOM 0 HA PRO A 9 60.295 7.569 -15.570 1.00 0.00 H new ATOM 0 HB2 PRO A 9 60.659 9.523 -17.430 1.00 0.00 H new ATOM 0 HB3 PRO A 9 60.414 7.872 -17.964 1.00 0.00 H new ATOM 0 HG2 PRO A 9 58.458 10.154 -17.902 1.00 0.00 H new ATOM 0 HG3 PRO A 9 58.658 8.906 -19.115 1.00 0.00 H new ATOM 0 HD2 PRO A 9 56.678 8.846 -17.124 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.230 7.427 -17.991 1.00 0.00 H new ATOM 117 N MET A 10 60.791 10.098 -14.854 1.00 0.00 N ATOM 118 CA MET A 10 60.919 11.232 -13.925 1.00 0.00 C ATOM 119 C MET A 10 61.188 12.531 -14.674 1.00 0.00 C ATOM 120 O MET A 10 60.404 13.476 -14.599 1.00 0.00 O ATOM 121 CB MET A 10 62.063 10.949 -12.942 1.00 0.00 C ATOM 122 CG MET A 10 62.129 9.442 -12.647 1.00 0.00 C ATOM 123 SD MET A 10 62.772 9.175 -10.976 1.00 0.00 S ATOM 124 CE MET A 10 62.594 7.373 -10.939 1.00 0.00 C ATOM 0 H MET A 10 61.656 9.838 -15.328 1.00 0.00 H new ATOM 0 HA MET A 10 59.980 11.347 -13.383 1.00 0.00 H new ATOM 0 HB2 MET A 10 63.009 11.289 -13.362 1.00 0.00 H new ATOM 0 HB3 MET A 10 61.907 11.504 -12.017 1.00 0.00 H new ATOM 0 HG2 MET A 10 61.137 9.000 -12.740 1.00 0.00 H new ATOM 0 HG3 MET A 10 62.769 8.946 -13.377 1.00 0.00 H new ATOM 0 HE1 MET A 10 62.326 7.054 -9.932 1.00 0.00 H new ATOM 0 HE2 MET A 10 61.812 7.070 -11.635 1.00 0.00 H new ATOM 0 HE3 MET A 10 63.537 6.908 -11.228 1.00 0.00 H new ATOM 134 N VAL A 11 62.315 12.582 -15.387 1.00 0.00 N ATOM 135 CA VAL A 11 62.679 13.778 -16.138 1.00 0.00 C ATOM 136 C VAL A 11 62.376 13.564 -17.615 1.00 0.00 C ATOM 137 O VAL A 11 62.892 12.633 -18.231 1.00 0.00 O ATOM 138 CB VAL A 11 64.174 14.058 -15.948 1.00 0.00 C ATOM 139 CG1 VAL A 11 64.574 15.323 -16.721 1.00 0.00 C ATOM 140 CG2 VAL A 11 64.463 14.249 -14.455 1.00 0.00 C ATOM 0 H VAL A 11 62.984 11.815 -15.458 1.00 0.00 H new ATOM 0 HA VAL A 11 62.103 14.629 -15.776 1.00 0.00 H new ATOM 0 HB VAL A 11 64.752 13.216 -16.329 1.00 0.00 H new ATOM 0 HG11 VAL A 11 65.638 15.514 -16.580 1.00 0.00 H new ATOM 0 HG12 VAL A 11 64.368 15.181 -17.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 64.000 16.173 -16.350 1.00 0.00 H new ATOM 0 HG21 VAL A 11 65.525 14.449 -14.313 1.00 0.00 H new ATOM 0 HG22 VAL A 11 63.882 15.090 -14.077 1.00 0.00 H new ATOM 0 HG23 VAL A 11 64.188 13.344 -13.913 1.00 0.00 H new ATOM 150 N LYS A 12 61.520 14.412 -18.175 1.00 0.00 N ATOM 151 CA LYS A 12 61.139 14.296 -19.578 1.00 0.00 C ATOM 152 C LYS A 12 62.318 14.652 -20.478 1.00 0.00 C ATOM 153 O LYS A 12 62.781 15.792 -20.482 1.00 0.00 O ATOM 154 CB LYS A 12 59.971 15.253 -19.864 1.00 0.00 C ATOM 155 CG LYS A 12 60.139 16.521 -19.010 1.00 0.00 C ATOM 156 CD LYS A 12 59.333 17.690 -19.608 1.00 0.00 C ATOM 157 CE LYS A 12 60.146 18.425 -20.690 1.00 0.00 C ATOM 158 NZ LYS A 12 61.505 18.791 -20.180 1.00 0.00 N1+ ATOM 0 H LYS A 12 61.077 15.186 -17.680 1.00 0.00 H new ATOM 0 HA LYS A 12 60.838 13.268 -19.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 59.948 15.513 -20.922 1.00 0.00 H new ATOM 0 HB3 LYS A 12 59.022 14.768 -19.634 1.00 0.00 H new ATOM 0 HG2 LYS A 12 59.805 16.326 -17.991 1.00 0.00 H new ATOM 0 HG3 LYS A 12 61.194 16.791 -18.954 1.00 0.00 H new ATOM 0 HD2 LYS A 12 58.405 17.314 -20.038 1.00 0.00 H new ATOM 0 HD3 LYS A 12 59.058 18.388 -18.818 1.00 0.00 H new ATOM 0 HE2 LYS A 12 60.242 17.791 -21.571 1.00 0.00 H new ATOM 0 HE3 LYS A 12 59.615 19.325 -21.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 61.845 19.640 -20.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 61.453 18.983 -19.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 62.163 18.004 -20.351 1.00 0.00 H new ATOM 172 N LEU A 13 62.785 13.684 -21.260 1.00 0.00 N ATOM 173 CA LEU A 13 63.895 13.929 -22.179 1.00 0.00 C ATOM 174 C LEU A 13 63.645 13.175 -23.482 1.00 0.00 C ATOM 175 O LEU A 13 63.570 11.946 -23.495 1.00 0.00 O ATOM 176 CB LEU A 13 65.225 13.476 -21.511 1.00 0.00 C ATOM 177 CG LEU A 13 66.372 14.533 -21.688 1.00 0.00 C ATOM 178 CD1 LEU A 13 67.053 14.793 -20.342 1.00 0.00 C ATOM 179 CD2 LEU A 13 67.430 14.019 -22.674 1.00 0.00 C ATOM 0 H LEU A 13 62.418 12.732 -21.278 1.00 0.00 H new ATOM 0 HA LEU A 13 63.971 14.992 -22.407 1.00 0.00 H new ATOM 0 HB2 LEU A 13 65.055 13.303 -20.448 1.00 0.00 H new ATOM 0 HB3 LEU A 13 65.540 12.526 -21.942 1.00 0.00 H new ATOM 0 HG LEU A 13 65.929 15.452 -22.071 1.00 0.00 H new ATOM 0 HD11 LEU A 13 67.848 15.527 -20.472 1.00 0.00 H new ATOM 0 HD12 LEU A 13 66.320 15.174 -19.631 1.00 0.00 H new ATOM 0 HD13 LEU A 13 67.477 13.863 -19.963 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.217 14.765 -22.784 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.859 13.091 -22.296 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.966 13.836 -23.643 1.00 0.00 H new ATOM 191 N VAL A 14 63.502 13.927 -24.577 1.00 0.00 N ATOM 192 CA VAL A 14 63.243 13.331 -25.889 1.00 0.00 C ATOM 193 C VAL A 14 64.432 13.568 -26.814 1.00 0.00 C ATOM 194 O VAL A 14 65.128 14.578 -26.709 1.00 0.00 O ATOM 195 CB VAL A 14 61.960 13.929 -26.487 1.00 0.00 C ATOM 196 CG1 VAL A 14 60.847 13.932 -25.418 1.00 0.00 C ATOM 197 CG2 VAL A 14 62.230 15.372 -26.963 1.00 0.00 C ATOM 0 H VAL A 14 63.561 14.945 -24.581 1.00 0.00 H new ATOM 0 HA VAL A 14 63.106 12.256 -25.776 1.00 0.00 H new ATOM 0 HB VAL A 14 61.642 13.326 -27.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 59.937 14.356 -25.842 1.00 0.00 H new ATOM 0 HG12 VAL A 14 60.653 12.910 -25.091 1.00 0.00 H new ATOM 0 HG13 VAL A 14 61.164 14.532 -24.565 1.00 0.00 H new ATOM 0 HG21 VAL A 14 61.318 15.792 -27.386 1.00 0.00 H new ATOM 0 HG22 VAL A 14 62.551 15.980 -26.117 1.00 0.00 H new ATOM 0 HG23 VAL A 14 63.012 15.364 -27.722 1.00 0.00 H new ATOM 207 N CYS A 15 64.663 12.617 -27.704 1.00 0.00 N ATOM 208 CA CYS A 15 65.787 12.716 -28.624 1.00 0.00 C ATOM 209 C CYS A 15 65.544 13.861 -29.629 1.00 0.00 C ATOM 210 O CYS A 15 64.408 14.047 -30.062 1.00 0.00 O ATOM 211 CB CYS A 15 65.973 11.369 -29.356 1.00 0.00 C ATOM 212 SG CYS A 15 67.539 10.609 -28.859 1.00 0.00 S ATOM 0 H CYS A 15 64.095 11.776 -27.810 1.00 0.00 H new ATOM 0 HA CYS A 15 66.698 12.939 -28.068 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.144 10.701 -29.122 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.961 11.527 -30.434 1.00 0.00 H new ATOM 217 N PRO A 16 66.549 14.631 -30.026 1.00 0.00 N ATOM 218 CA PRO A 16 66.351 15.743 -31.004 1.00 0.00 C ATOM 219 C PRO A 16 66.212 15.218 -32.433 1.00 0.00 C ATOM 220 O PRO A 16 66.520 14.058 -32.710 1.00 0.00 O ATOM 221 CB PRO A 16 67.617 16.621 -30.863 1.00 0.00 C ATOM 222 CG PRO A 16 68.389 16.039 -29.716 1.00 0.00 C ATOM 223 CD PRO A 16 67.971 14.575 -29.626 1.00 0.00 C ATOM 0 HA PRO A 16 65.434 16.297 -30.803 1.00 0.00 H new ATOM 0 HB2 PRO A 16 68.207 16.607 -31.779 1.00 0.00 H new ATOM 0 HB3 PRO A 16 67.353 17.661 -30.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 69.462 16.128 -29.883 1.00 0.00 H new ATOM 0 HG3 PRO A 16 68.166 16.566 -28.788 1.00 0.00 H new ATOM 0 HD2 PRO A 16 68.557 13.943 -30.293 1.00 0.00 H new ATOM 0 HD3 PRO A 16 68.095 14.177 -28.619 1.00 0.00 H new ATOM 231 N ALA A 17 65.774 16.085 -33.337 1.00 0.00 N ATOM 232 CA ALA A 17 65.635 15.695 -34.733 1.00 0.00 C ATOM 233 C ALA A 17 67.005 15.657 -35.421 1.00 0.00 C ATOM 234 O ALA A 17 67.394 14.630 -35.977 1.00 0.00 O ATOM 235 CB ALA A 17 64.685 16.680 -35.455 1.00 0.00 C ATOM 0 H ALA A 17 65.512 17.049 -33.133 1.00 0.00 H new ATOM 0 HA ALA A 17 65.208 14.693 -34.782 1.00 0.00 H new ATOM 0 HB1 ALA A 17 64.582 16.387 -36.500 1.00 0.00 H new ATOM 0 HB2 ALA A 17 63.707 16.660 -34.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.096 17.688 -35.400 1.00 0.00 H new ATOM 241 N ASP A 18 67.722 16.783 -35.401 1.00 0.00 N ATOM 242 CA ASP A 18 69.035 16.864 -36.051 1.00 0.00 C ATOM 243 C ASP A 18 70.160 16.561 -35.064 1.00 0.00 C ATOM 244 O ASP A 18 71.338 16.729 -35.380 1.00 0.00 O ATOM 245 CB ASP A 18 69.237 18.264 -36.629 1.00 0.00 C ATOM 246 CG ASP A 18 69.233 19.290 -35.503 1.00 0.00 C ATOM 247 OD1 ASP A 18 68.999 18.897 -34.373 1.00 0.00 O1- ATOM 248 OD2 ASP A 18 69.472 20.452 -35.786 1.00 0.00 O ATOM 0 H ASP A 18 67.420 17.645 -34.946 1.00 0.00 H new ATOM 0 HA ASP A 18 69.064 16.121 -36.848 1.00 0.00 H new ATOM 0 HB2 ASP A 18 70.180 18.311 -37.173 1.00 0.00 H new ATOM 0 HB3 ASP A 18 68.446 18.491 -37.343 1.00 0.00 H new ATOM 253 N ASN A 19 69.779 16.101 -33.880 1.00 0.00 N ATOM 254 CA ASN A 19 70.734 15.739 -32.831 1.00 0.00 C ATOM 255 C ASN A 19 71.605 16.918 -32.386 1.00 0.00 C ATOM 256 O ASN A 19 72.745 16.714 -31.971 1.00 0.00 O ATOM 257 CB ASN A 19 71.644 14.606 -33.316 1.00 0.00 C ATOM 258 CG ASN A 19 70.815 13.368 -33.629 1.00 0.00 C ATOM 259 OD1 ASN A 19 69.745 13.474 -34.229 1.00 0.00 O ATOM 260 ND2 ASN A 19 71.244 12.194 -33.255 1.00 0.00 N ATOM 0 H ASN A 19 68.803 15.967 -33.616 1.00 0.00 H new ATOM 0 HA ASN A 19 70.144 15.418 -31.972 1.00 0.00 H new ATOM 0 HB2 ASN A 19 72.190 14.922 -34.205 1.00 0.00 H new ATOM 0 HB3 ASN A 19 72.386 14.373 -32.553 1.00 0.00 H new ATOM 0 HD21 ASN A 19 70.693 11.361 -33.459 1.00 0.00 H new ATOM 0 HD22 ASN A 19 72.131 12.110 -32.758 1.00 0.00 H new ATOM 267 N LEU A 20 71.074 18.147 -32.417 1.00 0.00 N ATOM 268 CA LEU A 20 71.853 19.298 -31.936 1.00 0.00 C ATOM 269 C LEU A 20 71.658 19.481 -30.429 1.00 0.00 C ATOM 270 O LEU A 20 72.618 19.688 -29.684 1.00 0.00 O ATOM 271 CB LEU A 20 71.468 20.601 -32.660 1.00 0.00 C ATOM 272 CG LEU A 20 72.619 21.632 -32.561 1.00 0.00 C ATOM 273 CD1 LEU A 20 73.628 21.402 -33.700 1.00 0.00 C ATOM 274 CD2 LEU A 20 72.052 23.064 -32.655 1.00 0.00 C ATOM 0 H LEU A 20 70.139 18.368 -32.758 1.00 0.00 H new ATOM 0 HA LEU A 20 72.900 19.086 -32.152 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.247 20.392 -33.707 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.561 21.015 -32.220 1.00 0.00 H new ATOM 0 HG LEU A 20 73.123 21.507 -31.603 1.00 0.00 H new ATOM 0 HD11 LEU A 20 74.435 22.131 -33.624 1.00 0.00 H new ATOM 0 HD12 LEU A 20 74.040 20.396 -33.624 1.00 0.00 H new ATOM 0 HD13 LEU A 20 73.125 21.516 -34.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 72.868 23.784 -32.585 1.00 0.00 H new ATOM 0 HD22 LEU A 20 71.538 23.190 -33.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 71.349 23.231 -31.839 1.00 0.00 H new ATOM 286 N ARG A 21 70.399 19.410 -29.993 1.00 0.00 N ATOM 287 CA ARG A 21 70.069 19.578 -28.578 1.00 0.00 C ATOM 288 C ARG A 21 70.586 18.388 -27.787 1.00 0.00 C ATOM 289 O ARG A 21 70.620 18.417 -26.557 1.00 0.00 O ATOM 290 CB ARG A 21 68.549 19.738 -28.400 1.00 0.00 C ATOM 291 CG ARG A 21 68.164 19.716 -26.913 1.00 0.00 C ATOM 292 CD ARG A 21 66.676 20.037 -26.773 1.00 0.00 C ATOM 293 NE ARG A 21 66.419 21.417 -27.200 1.00 0.00 N ATOM 294 CZ ARG A 21 65.708 21.713 -28.294 1.00 0.00 C ATOM 295 NH1 ARG A 21 65.254 20.769 -29.078 1.00 0.00 N ATOM 296 NH2 ARG A 21 65.483 22.961 -28.595 1.00 0.00 N1+ ATOM 0 H ARG A 21 69.595 19.238 -30.597 1.00 0.00 H new ATOM 0 HA ARG A 21 70.549 20.481 -28.201 1.00 0.00 H new ATOM 0 HB2 ARG A 21 68.223 20.676 -28.850 1.00 0.00 H new ATOM 0 HB3 ARG A 21 68.031 18.936 -28.925 1.00 0.00 H new ATOM 0 HG2 ARG A 21 68.379 18.737 -26.484 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.759 20.444 -26.361 1.00 0.00 H new ATOM 0 HD2 ARG A 21 66.088 19.345 -27.376 1.00 0.00 H new ATOM 0 HD3 ARG A 21 66.362 19.903 -25.738 1.00 0.00 H new ATOM 0 HE ARG A 21 66.798 22.181 -26.640 1.00 0.00 H new ATOM 0 HH11 ARG A 21 65.441 19.790 -28.859 1.00 0.00 H new ATOM 0 HH12 ARG A 21 64.713 21.012 -29.908 1.00 0.00 H new ATOM 0 HH21 ARG A 21 65.848 23.703 -27.998 1.00 0.00 H new ATOM 0 HH22 ARG A 21 64.942 23.195 -29.427 1.00 0.00 H new ATOM 310 N ALA A 22 70.982 17.340 -28.518 1.00 0.00 N ATOM 311 CA ALA A 22 71.501 16.105 -27.920 1.00 0.00 C ATOM 312 C ALA A 22 72.108 16.338 -26.536 1.00 0.00 C ATOM 313 O ALA A 22 72.693 17.388 -26.264 1.00 0.00 O ATOM 314 CB ALA A 22 72.571 15.489 -28.844 1.00 0.00 C ATOM 0 H ALA A 22 70.952 17.324 -29.537 1.00 0.00 H new ATOM 0 HA ALA A 22 70.658 15.424 -27.804 1.00 0.00 H new ATOM 0 HB1 ALA A 22 72.954 14.572 -28.396 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.127 15.262 -29.813 1.00 0.00 H new ATOM 0 HB3 ALA A 22 73.389 16.197 -28.976 1.00 0.00 H new ATOM 320 N GLU A 23 71.985 15.335 -25.683 1.00 0.00 N ATOM 321 CA GLU A 23 72.537 15.418 -24.341 1.00 0.00 C ATOM 322 C GLU A 23 74.046 15.645 -24.395 1.00 0.00 C ATOM 323 O GLU A 23 74.509 16.665 -24.904 1.00 0.00 O ATOM 324 CB GLU A 23 72.211 14.137 -23.553 1.00 0.00 C ATOM 325 CG GLU A 23 72.571 12.866 -24.370 1.00 0.00 C ATOM 326 CD GLU A 23 71.542 11.763 -24.120 1.00 0.00 C ATOM 327 OE1 GLU A 23 71.701 11.037 -23.152 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 70.608 11.666 -24.899 1.00 0.00 O ATOM 0 H GLU A 23 71.510 14.457 -25.894 1.00 0.00 H new ATOM 0 HA GLU A 23 72.083 16.267 -23.829 1.00 0.00 H new ATOM 0 HB2 GLU A 23 72.762 14.136 -22.612 1.00 0.00 H new ATOM 0 HB3 GLU A 23 71.151 14.122 -23.301 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.605 13.106 -25.433 1.00 0.00 H new ATOM 0 HG3 GLU A 23 73.565 12.515 -24.091 1.00 0.00 H new ATOM 335 N GLY A 24 74.807 14.696 -23.859 1.00 0.00 N ATOM 336 CA GLY A 24 76.263 14.807 -23.845 1.00 0.00 C ATOM 337 C GLY A 24 76.856 14.024 -22.678 1.00 0.00 C ATOM 338 O GLY A 24 77.387 14.610 -21.735 1.00 0.00 O ATOM 0 H GLY A 24 74.443 13.845 -23.430 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.670 14.432 -24.784 1.00 0.00 H new ATOM 0 HA3 GLY A 24 76.551 15.855 -23.769 1.00 0.00 H new ATOM 342 N LEU A 25 76.758 12.699 -22.743 1.00 0.00 N ATOM 343 CA LEU A 25 77.291 11.848 -21.679 1.00 0.00 C ATOM 344 C LEU A 25 77.233 10.379 -22.118 1.00 0.00 C ATOM 345 O LEU A 25 77.548 9.476 -21.345 1.00 0.00 O ATOM 346 CB LEU A 25 76.475 12.081 -20.375 1.00 0.00 C ATOM 347 CG LEU A 25 77.355 12.239 -19.099 1.00 0.00 C ATOM 348 CD1 LEU A 25 78.345 11.082 -18.937 1.00 0.00 C ATOM 349 CD2 LEU A 25 78.121 13.574 -19.102 1.00 0.00 C ATOM 0 H LEU A 25 76.319 12.193 -23.513 1.00 0.00 H new ATOM 0 HA LEU A 25 78.333 12.102 -21.482 1.00 0.00 H new ATOM 0 HB2 LEU A 25 75.864 12.975 -20.496 1.00 0.00 H new ATOM 0 HB3 LEU A 25 75.791 11.244 -20.232 1.00 0.00 H new ATOM 0 HG LEU A 25 76.669 12.227 -18.252 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.937 11.234 -18.035 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.797 10.143 -18.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.006 11.045 -19.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.724 13.650 -18.197 1.00 0.00 H new ATOM 0 HD22 LEU A 25 78.771 13.619 -19.976 1.00 0.00 H new ATOM 0 HD23 LEU A 25 77.411 14.401 -19.135 1.00 0.00 H new ATOM 361 N GLU A 26 76.857 10.144 -23.376 1.00 0.00 N ATOM 362 CA GLU A 26 76.798 8.778 -23.895 1.00 0.00 C ATOM 363 C GLU A 26 75.834 7.938 -23.037 1.00 0.00 C ATOM 364 O GLU A 26 74.680 7.719 -23.412 1.00 0.00 O ATOM 365 CB GLU A 26 78.229 8.159 -23.880 1.00 0.00 C ATOM 366 CG GLU A 26 78.770 7.880 -25.305 1.00 0.00 C ATOM 367 CD GLU A 26 79.431 9.127 -25.891 1.00 0.00 C ATOM 368 OE1 GLU A 26 78.861 10.198 -25.762 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 80.503 8.991 -26.463 1.00 0.00 O ATOM 0 H GLU A 26 76.593 10.868 -24.044 1.00 0.00 H new ATOM 0 HA GLU A 26 76.429 8.787 -24.920 1.00 0.00 H new ATOM 0 HB2 GLU A 26 78.909 8.836 -23.363 1.00 0.00 H new ATOM 0 HB3 GLU A 26 78.213 7.229 -23.312 1.00 0.00 H new ATOM 0 HG2 GLU A 26 79.491 7.063 -25.271 1.00 0.00 H new ATOM 0 HG3 GLU A 26 77.954 7.558 -25.952 1.00 0.00 H new ATOM 376 N CYS A 27 76.323 7.469 -21.888 1.00 0.00 N ATOM 377 CA CYS A 27 75.515 6.656 -20.973 1.00 0.00 C ATOM 378 C CYS A 27 75.757 7.086 -19.526 1.00 0.00 C ATOM 379 O CYS A 27 76.887 7.386 -19.142 1.00 0.00 O ATOM 380 CB CYS A 27 75.868 5.167 -21.156 1.00 0.00 C ATOM 381 SG CYS A 27 77.342 4.734 -20.182 1.00 0.00 S ATOM 0 H CYS A 27 77.276 7.638 -21.567 1.00 0.00 H new ATOM 0 HA CYS A 27 74.460 6.803 -21.202 1.00 0.00 H new ATOM 0 HB2 CYS A 27 75.026 4.547 -20.847 1.00 0.00 H new ATOM 0 HB3 CYS A 27 76.048 4.957 -22.210 1.00 0.00 H new ATOM 386 N THR A 28 74.695 7.119 -18.726 1.00 0.00 N ATOM 387 CA THR A 28 74.827 7.526 -17.330 1.00 0.00 C ATOM 388 C THR A 28 75.809 6.610 -16.601 1.00 0.00 C ATOM 389 O THR A 28 76.648 5.973 -17.238 1.00 0.00 O ATOM 390 CB THR A 28 73.457 7.516 -16.636 1.00 0.00 C ATOM 391 OG1 THR A 28 73.626 7.817 -15.257 1.00 0.00 O ATOM 392 CG2 THR A 28 72.796 6.145 -16.787 1.00 0.00 C ATOM 0 H THR A 28 73.748 6.873 -19.014 1.00 0.00 H new ATOM 0 HA THR A 28 75.218 8.543 -17.299 1.00 0.00 H new ATOM 0 HB THR A 28 72.817 8.266 -17.100 1.00 0.00 H new ATOM 0 HG1 THR A 28 72.753 7.813 -14.812 1.00 0.00 H new ATOM 0 HG21 THR A 28 71.826 6.152 -16.290 1.00 0.00 H new ATOM 0 HG22 THR A 28 72.660 5.921 -17.845 1.00 0.00 H new ATOM 0 HG23 THR A 28 73.430 5.383 -16.333 1.00 0.00 H new ATOM 400 N LYS A 29 75.719 6.551 -15.268 1.00 0.00 N ATOM 401 CA LYS A 29 76.633 5.717 -14.472 1.00 0.00 C ATOM 402 C LYS A 29 75.841 4.761 -13.578 1.00 0.00 C ATOM 403 O LYS A 29 74.975 5.181 -12.809 1.00 0.00 O ATOM 404 CB LYS A 29 77.521 6.627 -13.603 1.00 0.00 C ATOM 405 CG LYS A 29 78.509 5.786 -12.736 1.00 0.00 C ATOM 406 CD LYS A 29 78.492 6.268 -11.276 1.00 0.00 C ATOM 407 CE LYS A 29 79.293 5.298 -10.404 1.00 0.00 C ATOM 408 NZ LYS A 29 79.127 5.669 -8.969 1.00 0.00 N1+ ATOM 0 H LYS A 29 75.030 7.065 -14.719 1.00 0.00 H new ATOM 0 HA LYS A 29 77.256 5.127 -15.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.083 7.309 -14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 76.895 7.240 -12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 29 78.234 4.732 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.518 5.869 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 29 78.917 7.269 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.465 6.333 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 29 78.951 4.276 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 29 80.347 5.330 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 79.066 4.806 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.943 6.235 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 78.256 6.225 -8.853 1.00 0.00 H new ATOM 422 N THR A 30 76.194 3.481 -13.657 1.00 0.00 N ATOM 423 CA THR A 30 75.562 2.448 -12.827 1.00 0.00 C ATOM 424 C THR A 30 76.618 1.816 -11.915 1.00 0.00 C ATOM 425 O THR A 30 77.760 2.272 -11.866 1.00 0.00 O ATOM 426 CB THR A 30 74.917 1.368 -13.723 1.00 0.00 C ATOM 427 OG1 THR A 30 74.678 1.921 -15.010 1.00 0.00 O ATOM 428 CG2 THR A 30 73.582 0.896 -13.123 1.00 0.00 C ATOM 0 H THR A 30 76.915 3.129 -14.287 1.00 0.00 H new ATOM 0 HA THR A 30 74.782 2.902 -12.216 1.00 0.00 H new ATOM 0 HB THR A 30 75.592 0.515 -13.794 1.00 0.00 H new ATOM 0 HG1 THR A 30 74.270 1.242 -15.587 1.00 0.00 H new ATOM 0 HG21 THR A 30 73.142 0.135 -13.768 1.00 0.00 H new ATOM 0 HG22 THR A 30 73.757 0.476 -12.133 1.00 0.00 H new ATOM 0 HG23 THR A 30 72.900 1.742 -13.043 1.00 0.00 H new ATOM 436 N CYS A 31 76.225 0.772 -11.191 1.00 0.00 N ATOM 437 CA CYS A 31 77.137 0.095 -10.278 1.00 0.00 C ATOM 438 C CYS A 31 78.173 -0.737 -11.051 1.00 0.00 C ATOM 439 O CYS A 31 79.304 -0.893 -10.588 1.00 0.00 O ATOM 440 CB CYS A 31 76.312 -0.802 -9.326 1.00 0.00 C ATOM 441 SG CYS A 31 76.861 -0.579 -7.609 1.00 0.00 S ATOM 0 H CYS A 31 75.284 0.378 -11.219 1.00 0.00 H new ATOM 0 HA CYS A 31 77.685 0.837 -9.698 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.254 -0.556 -9.411 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.420 -1.847 -9.616 1.00 0.00 H new ATOM 446 N GLN A 32 77.783 -1.332 -12.181 1.00 0.00 N ATOM 447 CA GLN A 32 78.713 -2.204 -12.913 1.00 0.00 C ATOM 448 C GLN A 32 79.779 -1.400 -13.671 1.00 0.00 C ATOM 449 O GLN A 32 80.971 -1.570 -13.437 1.00 0.00 O ATOM 450 CB GLN A 32 77.939 -3.113 -13.908 1.00 0.00 C ATOM 451 CG GLN A 32 77.661 -4.511 -13.313 1.00 0.00 C ATOM 452 CD GLN A 32 76.483 -4.454 -12.343 1.00 0.00 C ATOM 453 OE1 GLN A 32 75.379 -4.072 -12.729 1.00 0.00 O ATOM 454 NE2 GLN A 32 76.654 -4.815 -11.101 1.00 0.00 N ATOM 0 H GLN A 32 76.859 -1.233 -12.602 1.00 0.00 H new ATOM 0 HA GLN A 32 79.221 -2.823 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 76.995 -2.638 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 32 78.515 -3.218 -14.828 1.00 0.00 H new ATOM 0 HG2 GLN A 32 77.446 -5.218 -14.114 1.00 0.00 H new ATOM 0 HG3 GLN A 32 78.548 -4.876 -12.796 1.00 0.00 H new ATOM 0 HE21 GLN A 32 77.570 -5.131 -10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 32 75.871 -4.781 -10.448 1.00 0.00 H new ATOM 463 N ASN A 33 79.341 -0.507 -14.551 1.00 0.00 N ATOM 464 CA ASN A 33 80.271 0.304 -15.344 1.00 0.00 C ATOM 465 C ASN A 33 81.203 1.115 -14.452 1.00 0.00 C ATOM 466 O ASN A 33 81.924 1.991 -14.927 1.00 0.00 O ATOM 467 CB ASN A 33 79.483 1.237 -16.264 1.00 0.00 C ATOM 468 CG ASN A 33 78.381 1.931 -15.473 1.00 0.00 C ATOM 469 OD1 ASN A 33 78.167 1.618 -14.303 1.00 0.00 O ATOM 470 ND2 ASN A 33 77.664 2.859 -16.045 1.00 0.00 N ATOM 0 H ASN A 33 78.355 -0.323 -14.736 1.00 0.00 H new ATOM 0 HA ASN A 33 80.885 -0.369 -15.943 1.00 0.00 H new ATOM 0 HB2 ASN A 33 80.150 1.979 -16.703 1.00 0.00 H new ATOM 0 HB3 ASN A 33 79.050 0.670 -17.088 1.00 0.00 H new ATOM 0 HD21 ASN A 33 76.924 3.327 -15.522 1.00 0.00 H new ATOM 0 HD22 ASN A 33 77.844 3.117 -17.015 1.00 0.00 H new ATOM 477 N TYR A 34 81.171 0.853 -13.158 1.00 0.00 N ATOM 478 CA TYR A 34 82.041 1.572 -12.252 1.00 0.00 C ATOM 479 C TYR A 34 83.500 1.330 -12.632 1.00 0.00 C ATOM 480 O TYR A 34 84.161 2.222 -13.165 1.00 0.00 O ATOM 481 CB TYR A 34 81.775 1.120 -10.817 1.00 0.00 C ATOM 482 CG TYR A 34 82.804 1.718 -9.890 1.00 0.00 C ATOM 483 CD1 TYR A 34 82.698 3.055 -9.492 1.00 0.00 C ATOM 484 CD2 TYR A 34 83.865 0.932 -9.428 1.00 0.00 C ATOM 485 CE1 TYR A 34 83.654 3.604 -8.630 1.00 0.00 C ATOM 486 CE2 TYR A 34 84.820 1.479 -8.568 1.00 0.00 C ATOM 487 CZ TYR A 34 84.716 2.816 -8.169 1.00 0.00 C ATOM 488 OH TYR A 34 85.658 3.357 -7.318 1.00 0.00 O ATOM 0 H TYR A 34 80.564 0.161 -12.719 1.00 0.00 H new ATOM 0 HA TYR A 34 81.838 2.641 -12.324 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.775 1.426 -10.510 1.00 0.00 H new ATOM 0 HB3 TYR A 34 81.808 0.032 -10.757 1.00 0.00 H new ATOM 0 HD1 TYR A 34 81.880 3.662 -9.849 1.00 0.00 H new ATOM 0 HD2 TYR A 34 83.946 -0.100 -9.737 1.00 0.00 H new ATOM 0 HE1 TYR A 34 83.573 4.635 -8.320 1.00 0.00 H new ATOM 0 HE2 TYR A 34 85.638 0.871 -8.211 1.00 0.00 H new ATOM 0 HH TYR A 34 86.325 2.676 -7.093 1.00 0.00 H new ATOM 498 N ASP A 35 84.012 0.122 -12.364 1.00 0.00 N ATOM 499 CA ASP A 35 85.397 -0.196 -12.699 1.00 0.00 C ATOM 500 C ASP A 35 85.549 -0.425 -14.212 1.00 0.00 C ATOM 501 O ASP A 35 86.569 -0.063 -14.796 1.00 0.00 O ATOM 502 CB ASP A 35 85.859 -1.440 -11.902 1.00 0.00 C ATOM 503 CG ASP A 35 87.327 -1.311 -11.490 1.00 0.00 C ATOM 504 OD1 ASP A 35 87.649 -0.335 -10.831 1.00 0.00 O1- ATOM 505 OD2 ASP A 35 88.099 -2.190 -11.829 1.00 0.00 O ATOM 0 H ASP A 35 83.494 -0.638 -11.923 1.00 0.00 H new ATOM 0 HA ASP A 35 86.030 0.648 -12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.237 -1.560 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 35 85.725 -2.336 -12.508 1.00 0.00 H new ATOM 510 N LEU A 36 84.512 -0.993 -14.849 1.00 0.00 N ATOM 511 CA LEU A 36 84.537 -1.216 -16.304 1.00 0.00 C ATOM 512 C LEU A 36 83.757 -0.104 -17.000 1.00 0.00 C ATOM 513 O LEU A 36 83.026 0.635 -16.356 1.00 0.00 O ATOM 514 CB LEU A 36 83.928 -2.584 -16.673 1.00 0.00 C ATOM 515 CG LEU A 36 84.191 -3.602 -15.546 1.00 0.00 C ATOM 516 CD1 LEU A 36 83.212 -3.385 -14.363 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.034 -5.029 -16.109 1.00 0.00 C ATOM 0 H LEU A 36 83.657 -1.302 -14.387 1.00 0.00 H new ATOM 0 HA LEU A 36 85.576 -1.208 -16.634 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.855 -2.481 -16.838 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.361 -2.943 -17.607 1.00 0.00 H new ATOM 0 HG LEU A 36 85.205 -3.462 -15.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 83.418 -4.116 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.342 -2.379 -13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.187 -3.507 -14.712 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.219 -5.755 -15.317 1.00 0.00 H new ATOM 0 HD22 LEU A 36 83.022 -5.160 -16.492 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.750 -5.183 -16.916 1.00 0.00 H new ATOM 529 N GLU A 37 83.919 0.024 -18.316 1.00 0.00 N ATOM 530 CA GLU A 37 83.218 1.071 -19.068 1.00 0.00 C ATOM 531 C GLU A 37 81.979 0.528 -19.773 1.00 0.00 C ATOM 532 O GLU A 37 81.922 -0.645 -20.147 1.00 0.00 O ATOM 533 CB GLU A 37 84.162 1.697 -20.101 1.00 0.00 C ATOM 534 CG GLU A 37 84.793 0.603 -21.008 1.00 0.00 C ATOM 535 CD GLU A 37 86.238 0.292 -20.593 1.00 0.00 C ATOM 536 OE1 GLU A 37 86.906 1.186 -20.099 1.00 0.00 O1- ATOM 537 OE2 GLU A 37 86.653 -0.840 -20.782 1.00 0.00 O ATOM 0 H GLU A 37 84.521 -0.575 -18.881 1.00 0.00 H new ATOM 0 HA GLU A 37 82.896 1.829 -18.354 1.00 0.00 H new ATOM 0 HB2 GLU A 37 83.614 2.412 -20.714 1.00 0.00 H new ATOM 0 HB3 GLU A 37 84.950 2.252 -19.591 1.00 0.00 H new ATOM 0 HG2 GLU A 37 84.194 -0.306 -20.953 1.00 0.00 H new ATOM 0 HG3 GLU A 37 84.775 0.935 -22.046 1.00 0.00 H new ATOM 544 N CYS A 38 80.980 1.399 -19.942 1.00 0.00 N ATOM 545 CA CYS A 38 79.725 1.019 -20.593 1.00 0.00 C ATOM 546 C CYS A 38 79.858 1.099 -22.118 1.00 0.00 C ATOM 547 O CYS A 38 80.904 1.481 -22.642 1.00 0.00 O ATOM 548 CB CYS A 38 78.580 1.940 -20.091 1.00 0.00 C ATOM 549 SG CYS A 38 78.264 3.294 -21.269 1.00 0.00 S ATOM 0 H CYS A 38 81.017 2.372 -19.637 1.00 0.00 H new ATOM 0 HA CYS A 38 79.489 -0.013 -20.334 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.671 1.354 -19.953 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.842 2.354 -19.118 1.00 0.00 H new ATOM 554 N MET A 39 78.779 0.750 -22.814 1.00 0.00 N ATOM 555 CA MET A 39 78.769 0.792 -24.274 1.00 0.00 C ATOM 556 C MET A 39 78.893 2.236 -24.769 1.00 0.00 C ATOM 557 O MET A 39 79.685 3.021 -24.244 1.00 0.00 O ATOM 558 CB MET A 39 77.472 0.166 -24.813 1.00 0.00 C ATOM 559 CG MET A 39 77.085 -1.053 -23.967 1.00 0.00 C ATOM 560 SD MET A 39 78.444 -2.250 -23.954 1.00 0.00 S ATOM 561 CE MET A 39 77.821 -3.333 -25.264 1.00 0.00 C ATOM 0 H MET A 39 77.904 0.436 -22.393 1.00 0.00 H new ATOM 0 HA MET A 39 79.621 0.220 -24.641 1.00 0.00 H new ATOM 0 HB2 MET A 39 76.668 0.902 -24.794 1.00 0.00 H new ATOM 0 HB3 MET A 39 77.607 -0.131 -25.853 1.00 0.00 H new ATOM 0 HG2 MET A 39 76.854 -0.741 -22.949 1.00 0.00 H new ATOM 0 HG3 MET A 39 76.185 -1.516 -24.371 1.00 0.00 H new ATOM 0 HE1 MET A 39 78.521 -4.154 -25.421 1.00 0.00 H new ATOM 0 HE2 MET A 39 76.850 -3.734 -24.973 1.00 0.00 H new ATOM 0 HE3 MET A 39 77.717 -2.764 -26.188 1.00 0.00 H new ATOM 571 N SER A 40 78.086 2.580 -25.774 1.00 0.00 N ATOM 572 CA SER A 40 78.084 3.932 -26.343 1.00 0.00 C ATOM 573 C SER A 40 76.662 4.321 -26.751 1.00 0.00 C ATOM 574 O SER A 40 75.752 3.493 -26.723 1.00 0.00 O ATOM 575 CB SER A 40 79.020 3.989 -27.562 1.00 0.00 C ATOM 576 OG SER A 40 79.063 2.709 -28.178 1.00 0.00 O ATOM 0 H SER A 40 77.423 1.941 -26.213 1.00 0.00 H new ATOM 0 HA SER A 40 78.441 4.637 -25.592 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.666 4.736 -28.273 1.00 0.00 H new ATOM 0 HB3 SER A 40 80.021 4.291 -27.253 1.00 0.00 H new ATOM 0 HG SER A 40 79.657 2.741 -28.957 1.00 0.00 H new ATOM 582 N MET A 41 76.473 5.592 -27.091 1.00 0.00 N ATOM 583 CA MET A 41 75.151 6.088 -27.457 1.00 0.00 C ATOM 584 C MET A 41 74.147 5.829 -26.335 1.00 0.00 C ATOM 585 O MET A 41 74.312 4.918 -25.527 1.00 0.00 O ATOM 586 CB MET A 41 74.656 5.435 -28.753 1.00 0.00 C ATOM 587 CG MET A 41 75.440 5.981 -29.950 1.00 0.00 C ATOM 588 SD MET A 41 74.800 5.233 -31.474 1.00 0.00 S ATOM 589 CE MET A 41 76.058 5.853 -32.625 1.00 0.00 C ATOM 0 H MET A 41 77.213 6.293 -27.121 1.00 0.00 H new ATOM 0 HA MET A 41 75.236 7.163 -27.618 1.00 0.00 H new ATOM 0 HB2 MET A 41 74.775 4.353 -28.693 1.00 0.00 H new ATOM 0 HB3 MET A 41 73.592 5.631 -28.885 1.00 0.00 H new ATOM 0 HG2 MET A 41 75.347 7.066 -29.996 1.00 0.00 H new ATOM 0 HG3 MET A 41 76.501 5.756 -29.838 1.00 0.00 H new ATOM 0 HE1 MET A 41 75.838 5.497 -33.631 1.00 0.00 H new ATOM 0 HE2 MET A 41 76.053 6.943 -32.617 1.00 0.00 H new ATOM 0 HE3 MET A 41 77.040 5.492 -32.319 1.00 0.00 H new ATOM 599 N GLY A 42 73.100 6.643 -26.311 1.00 0.00 N ATOM 600 CA GLY A 42 72.035 6.536 -25.316 1.00 0.00 C ATOM 601 C GLY A 42 70.861 7.381 -25.796 1.00 0.00 C ATOM 602 O GLY A 42 70.924 7.875 -26.917 1.00 0.00 O ATOM 0 H GLY A 42 72.963 7.399 -26.982 1.00 0.00 H new ATOM 0 HA2 GLY A 42 71.732 5.496 -25.192 1.00 0.00 H new ATOM 0 HA3 GLY A 42 72.384 6.885 -24.344 1.00 0.00 H new ATOM 606 N CYS A 43 69.813 7.534 -24.954 1.00 0.00 N ATOM 607 CA CYS A 43 68.600 8.331 -25.283 1.00 0.00 C ATOM 608 C CYS A 43 67.371 7.432 -25.368 1.00 0.00 C ATOM 609 O CYS A 43 66.902 7.109 -26.459 1.00 0.00 O ATOM 610 CB CYS A 43 68.747 9.093 -26.606 1.00 0.00 C ATOM 611 SG CYS A 43 67.333 10.179 -26.894 1.00 0.00 S ATOM 0 H CYS A 43 69.781 7.110 -24.027 1.00 0.00 H new ATOM 0 HA CYS A 43 68.479 9.056 -24.478 1.00 0.00 H new ATOM 0 HB2 CYS A 43 69.664 9.682 -26.590 1.00 0.00 H new ATOM 0 HB3 CYS A 43 68.838 8.384 -27.429 1.00 0.00 H new ATOM 616 N VAL A 44 66.843 7.039 -24.206 1.00 0.00 N ATOM 617 CA VAL A 44 65.650 6.186 -24.152 1.00 0.00 C ATOM 618 C VAL A 44 64.687 6.693 -23.071 1.00 0.00 C ATOM 619 O VAL A 44 64.869 6.444 -21.879 1.00 0.00 O ATOM 620 CB VAL A 44 66.069 4.727 -23.883 1.00 0.00 C ATOM 621 CG1 VAL A 44 67.139 4.671 -22.779 1.00 0.00 C ATOM 622 CG2 VAL A 44 64.845 3.882 -23.474 1.00 0.00 C ATOM 0 H VAL A 44 67.220 7.296 -23.293 1.00 0.00 H new ATOM 0 HA VAL A 44 65.131 6.225 -25.110 1.00 0.00 H new ATOM 0 HB VAL A 44 66.489 4.316 -24.801 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.424 3.634 -22.601 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.015 5.240 -23.092 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.737 5.100 -21.861 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.158 2.855 -23.288 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.403 4.297 -22.568 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.108 3.897 -24.277 1.00 0.00 H new ATOM 632 N SER A 45 63.666 7.427 -23.510 1.00 0.00 N ATOM 633 CA SER A 45 62.676 7.989 -22.589 1.00 0.00 C ATOM 634 C SER A 45 62.331 6.986 -21.491 1.00 0.00 C ATOM 635 O SER A 45 61.633 6.000 -21.733 1.00 0.00 O ATOM 636 CB SER A 45 61.405 8.367 -23.352 1.00 0.00 C ATOM 637 OG SER A 45 61.760 9.005 -24.571 1.00 0.00 O ATOM 0 H SER A 45 63.502 7.646 -24.492 1.00 0.00 H new ATOM 0 HA SER A 45 63.104 8.880 -22.130 1.00 0.00 H new ATOM 0 HB2 SER A 45 60.810 7.476 -23.554 1.00 0.00 H new ATOM 0 HB3 SER A 45 60.788 9.031 -22.747 1.00 0.00 H new ATOM 0 HG SER A 45 60.947 9.247 -25.063 1.00 0.00 H new ATOM 643 N GLY A 46 62.866 7.218 -20.298 1.00 0.00 N ATOM 644 CA GLY A 46 62.657 6.304 -19.180 1.00 0.00 C ATOM 645 C GLY A 46 62.917 7.007 -17.853 1.00 0.00 C ATOM 646 O GLY A 46 63.048 8.229 -17.804 1.00 0.00 O ATOM 0 H GLY A 46 63.446 8.028 -20.080 1.00 0.00 H new ATOM 0 HA2 GLY A 46 61.636 5.923 -19.201 1.00 0.00 H new ATOM 0 HA3 GLY A 46 63.320 5.444 -19.278 1.00 0.00 H new ATOM 650 N CYS A 47 62.961 6.233 -16.773 1.00 0.00 N ATOM 651 CA CYS A 47 63.187 6.801 -15.447 1.00 0.00 C ATOM 652 C CYS A 47 64.618 7.283 -15.316 1.00 0.00 C ATOM 653 O CYS A 47 65.554 6.482 -15.332 1.00 0.00 O ATOM 654 CB CYS A 47 62.923 5.736 -14.384 1.00 0.00 C ATOM 655 SG CYS A 47 61.158 5.358 -14.334 1.00 0.00 S ATOM 0 H CYS A 47 62.844 5.220 -16.788 1.00 0.00 H new ATOM 0 HA CYS A 47 62.510 7.644 -15.309 1.00 0.00 H new ATOM 0 HB2 CYS A 47 63.492 4.834 -14.609 1.00 0.00 H new ATOM 0 HB3 CYS A 47 63.258 6.090 -13.409 1.00 0.00 H new ATOM 660 N LEU A 48 64.794 8.594 -15.176 1.00 0.00 N ATOM 661 CA LEU A 48 66.131 9.154 -15.032 1.00 0.00 C ATOM 662 C LEU A 48 66.562 9.091 -13.571 1.00 0.00 C ATOM 663 O LEU A 48 66.012 9.794 -12.728 1.00 0.00 O ATOM 664 CB LEU A 48 66.139 10.632 -15.499 1.00 0.00 C ATOM 665 CG LEU A 48 66.493 10.791 -16.992 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.000 10.591 -17.230 1.00 0.00 C ATOM 667 CD2 LEU A 48 65.677 9.822 -17.859 1.00 0.00 C ATOM 0 H LEU A 48 64.038 9.279 -15.159 1.00 0.00 H new ATOM 0 HA LEU A 48 66.822 8.575 -15.644 1.00 0.00 H new ATOM 0 HB2 LEU A 48 65.158 11.071 -15.315 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.856 11.193 -14.900 1.00 0.00 H new ATOM 0 HG LEU A 48 66.236 11.809 -17.285 1.00 0.00 H new ATOM 0 HD11 LEU A 48 68.220 10.709 -18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.560 11.332 -16.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.289 9.590 -16.909 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.947 9.956 -18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.890 8.796 -17.558 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.614 10.025 -17.729 1.00 0.00 H new ATOM 679 N CYS A 49 67.562 8.264 -13.289 1.00 0.00 N ATOM 680 CA CYS A 49 68.085 8.127 -11.936 1.00 0.00 C ATOM 681 C CYS A 49 68.782 9.427 -11.505 1.00 0.00 C ATOM 682 O CYS A 49 69.822 9.769 -12.065 1.00 0.00 O ATOM 683 CB CYS A 49 69.090 6.965 -11.910 1.00 0.00 C ATOM 684 SG CYS A 49 69.222 6.296 -10.230 1.00 0.00 S ATOM 0 H CYS A 49 68.027 7.677 -13.981 1.00 0.00 H new ATOM 0 HA CYS A 49 67.266 7.926 -11.245 1.00 0.00 H new ATOM 0 HB2 CYS A 49 68.771 6.182 -12.598 1.00 0.00 H new ATOM 0 HB3 CYS A 49 70.066 7.310 -12.251 1.00 0.00 H new ATOM 689 N PRO A 50 68.253 10.172 -10.550 1.00 0.00 N ATOM 690 CA PRO A 50 68.895 11.451 -10.118 1.00 0.00 C ATOM 691 C PRO A 50 70.389 11.272 -9.804 1.00 0.00 C ATOM 692 O PRO A 50 70.916 10.164 -9.895 1.00 0.00 O ATOM 693 CB PRO A 50 68.104 11.864 -8.866 1.00 0.00 C ATOM 694 CG PRO A 50 66.771 11.203 -9.008 1.00 0.00 C ATOM 695 CD PRO A 50 67.016 9.903 -9.783 1.00 0.00 C ATOM 0 HA PRO A 50 68.865 12.207 -10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 50 68.609 11.540 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.002 12.947 -8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 50 66.333 10.997 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.072 11.848 -9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.140 9.054 -9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.181 9.668 -10.442 1.00 0.00 H new ATOM 703 N PRO A 51 71.076 12.332 -9.432 1.00 0.00 N ATOM 704 CA PRO A 51 72.528 12.273 -9.101 1.00 0.00 C ATOM 705 C PRO A 51 72.778 11.765 -7.673 1.00 0.00 C ATOM 706 O PRO A 51 71.905 11.858 -6.808 1.00 0.00 O ATOM 707 CB PRO A 51 73.026 13.729 -9.293 1.00 0.00 C ATOM 708 CG PRO A 51 71.795 14.588 -9.487 1.00 0.00 C ATOM 709 CD PRO A 51 70.560 13.699 -9.272 1.00 0.00 C ATOM 0 HA PRO A 51 73.062 11.567 -9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.596 14.060 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 51 73.688 13.801 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 51 71.794 15.419 -8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 51 71.785 15.020 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.127 13.849 -8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 51 69.778 13.919 -9.999 1.00 0.00 H new ATOM 717 N GLY A 52 73.980 11.236 -7.442 1.00 0.00 N ATOM 718 CA GLY A 52 74.350 10.725 -6.122 1.00 0.00 C ATOM 719 C GLY A 52 73.685 9.379 -5.859 1.00 0.00 C ATOM 720 O GLY A 52 74.127 8.609 -5.004 1.00 0.00 O ATOM 0 H GLY A 52 74.711 11.150 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.433 10.620 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.053 11.439 -5.354 1.00 0.00 H new ATOM 724 N MET A 53 72.621 9.111 -6.595 1.00 0.00 N ATOM 725 CA MET A 53 71.888 7.851 -6.432 1.00 0.00 C ATOM 726 C MET A 53 72.264 6.852 -7.521 1.00 0.00 C ATOM 727 O MET A 53 72.805 7.222 -8.563 1.00 0.00 O ATOM 728 CB MET A 53 70.385 8.106 -6.458 1.00 0.00 C ATOM 729 CG MET A 53 70.021 9.042 -5.306 1.00 0.00 C ATOM 730 SD MET A 53 68.224 9.094 -5.112 1.00 0.00 S ATOM 731 CE MET A 53 68.210 9.854 -3.470 1.00 0.00 C ATOM 0 H MET A 53 72.242 9.736 -7.306 1.00 0.00 H new ATOM 0 HA MET A 53 72.162 7.426 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.095 8.550 -7.410 1.00 0.00 H new ATOM 0 HB3 MET A 53 69.842 7.166 -6.366 1.00 0.00 H new ATOM 0 HG2 MET A 53 70.487 8.697 -4.383 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.405 10.043 -5.502 1.00 0.00 H new ATOM 0 HE1 MET A 53 67.180 9.986 -3.139 1.00 0.00 H new ATOM 0 HE2 MET A 53 68.738 9.210 -2.767 1.00 0.00 H new ATOM 0 HE3 MET A 53 68.704 10.825 -3.514 1.00 0.00 H new ATOM 741 N VAL A 54 71.987 5.573 -7.255 1.00 0.00 N ATOM 742 CA VAL A 54 72.307 4.495 -8.196 1.00 0.00 C ATOM 743 C VAL A 54 71.042 3.704 -8.508 1.00 0.00 C ATOM 744 O VAL A 54 70.258 3.393 -7.612 1.00 0.00 O ATOM 745 CB VAL A 54 73.373 3.569 -7.578 1.00 0.00 C ATOM 746 CG1 VAL A 54 72.890 3.033 -6.211 1.00 0.00 C ATOM 747 CG2 VAL A 54 73.662 2.388 -8.522 1.00 0.00 C ATOM 0 H VAL A 54 71.541 5.258 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 54 72.700 4.919 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 54 74.288 4.144 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 54 73.653 2.380 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 54 72.710 3.869 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.966 2.471 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 54 74.417 1.741 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.746 1.819 -8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.028 2.766 -9.476 1.00 0.00 H new ATOM 757 N ARG A 55 70.842 3.387 -9.783 1.00 0.00 N ATOM 758 CA ARG A 55 69.662 2.635 -10.189 1.00 0.00 C ATOM 759 C ARG A 55 69.792 1.186 -9.743 1.00 0.00 C ATOM 760 O ARG A 55 70.597 0.432 -10.292 1.00 0.00 O ATOM 761 CB ARG A 55 69.514 2.654 -11.717 1.00 0.00 C ATOM 762 CG ARG A 55 68.356 1.715 -12.151 1.00 0.00 C ATOM 763 CD ARG A 55 67.636 2.246 -13.414 1.00 0.00 C ATOM 764 NE ARG A 55 66.396 2.924 -13.032 1.00 0.00 N ATOM 765 CZ ARG A 55 65.264 2.237 -12.868 1.00 0.00 C ATOM 766 NH1 ARG A 55 65.262 0.944 -13.044 1.00 0.00 N ATOM 767 NH2 ARG A 55 64.159 2.847 -12.531 1.00 0.00 N1+ ATOM 0 H ARG A 55 71.474 3.636 -10.544 1.00 0.00 H new ATOM 0 HA ARG A 55 68.790 3.098 -9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.317 3.670 -12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 55 70.446 2.336 -12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.750 0.718 -12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.639 1.619 -11.336 1.00 0.00 H new ATOM 0 HD2 ARG A 55 68.287 2.935 -13.952 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.416 1.421 -14.092 1.00 0.00 H new ATOM 0 HE ARG A 55 66.397 3.934 -12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 55 66.123 0.464 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 55 64.400 0.414 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 55 64.157 3.857 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 55 63.299 2.313 -12.408 1.00 0.00 H new ATOM 781 N HIS A 56 69.003 0.794 -8.750 1.00 0.00 N ATOM 782 CA HIS A 56 69.052 -0.575 -8.251 1.00 0.00 C ATOM 783 C HIS A 56 67.678 -0.990 -7.711 1.00 0.00 C ATOM 784 O HIS A 56 66.924 -0.168 -7.192 1.00 0.00 O ATOM 785 CB HIS A 56 70.129 -0.681 -7.149 1.00 0.00 C ATOM 786 CG HIS A 56 70.826 -2.020 -7.211 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.168 -2.134 -7.543 1.00 0.00 N ATOM 788 CD2 HIS A 56 70.387 -3.302 -6.986 1.00 0.00 C ATOM 789 CE1 HIS A 56 72.487 -3.439 -7.510 1.00 0.00 C ATOM 790 NE2 HIS A 56 71.439 -4.196 -7.175 1.00 0.00 N ATOM 0 H HIS A 56 68.329 1.397 -8.279 1.00 0.00 H new ATOM 0 HA HIS A 56 69.314 -1.250 -9.066 1.00 0.00 H new ATOM 0 HB2 HIS A 56 70.858 0.120 -7.268 1.00 0.00 H new ATOM 0 HB3 HIS A 56 69.669 -0.550 -6.170 1.00 0.00 H new ATOM 0 HD1 HIS A 56 72.799 -1.366 -7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 56 69.380 -3.575 -6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 56 73.471 -3.828 -7.728 1.00 0.00 H new ATOM 798 N GLU A 57 67.379 -2.274 -7.840 1.00 0.00 N ATOM 799 CA GLU A 57 66.108 -2.813 -7.362 1.00 0.00 C ATOM 800 C GLU A 57 64.927 -2.074 -8.014 1.00 0.00 C ATOM 801 O GLU A 57 63.928 -1.768 -7.365 1.00 0.00 O ATOM 802 CB GLU A 57 66.038 -2.694 -5.834 1.00 0.00 C ATOM 803 CG GLU A 57 64.956 -3.632 -5.289 1.00 0.00 C ATOM 804 CD GLU A 57 65.455 -5.072 -5.325 1.00 0.00 C ATOM 805 OE1 GLU A 57 66.644 -5.271 -5.137 1.00 0.00 O ATOM 806 OE2 GLU A 57 64.645 -5.953 -5.559 1.00 0.00 O1- ATOM 0 H GLU A 57 67.996 -2.963 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 57 66.044 -3.865 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 57 67.004 -2.945 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 57 65.817 -1.665 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 57 64.700 -3.352 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 57 64.047 -3.537 -5.883 1.00 0.00 H new ATOM 813 N ASN A 58 65.090 -1.779 -9.301 1.00 0.00 N ATOM 814 CA ASN A 58 64.067 -1.075 -10.091 1.00 0.00 C ATOM 815 C ASN A 58 63.810 0.337 -9.558 1.00 0.00 C ATOM 816 O ASN A 58 62.889 1.016 -10.012 1.00 0.00 O ATOM 817 CB ASN A 58 62.742 -1.849 -10.087 1.00 0.00 C ATOM 818 CG ASN A 58 62.902 -3.185 -10.801 1.00 0.00 C ATOM 819 OD1 ASN A 58 63.816 -3.358 -11.606 1.00 0.00 O ATOM 820 ND2 ASN A 58 62.054 -4.147 -10.551 1.00 0.00 N ATOM 0 H ASN A 58 65.929 -2.017 -9.830 1.00 0.00 H new ATOM 0 HA ASN A 58 64.452 -1.006 -11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.414 -2.015 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 58 61.968 -1.259 -10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 58 62.148 -5.046 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 58 61.298 -3.999 -9.883 1.00 0.00 H new ATOM 827 N ARG A 59 64.635 0.787 -8.610 1.00 0.00 N ATOM 828 CA ARG A 59 64.498 2.134 -8.041 1.00 0.00 C ATOM 829 C ARG A 59 65.876 2.753 -7.857 1.00 0.00 C ATOM 830 O ARG A 59 66.891 2.085 -8.051 1.00 0.00 O ATOM 831 CB ARG A 59 63.774 2.076 -6.686 1.00 0.00 C ATOM 832 CG ARG A 59 64.579 1.226 -5.692 1.00 0.00 C ATOM 833 CD ARG A 59 63.882 1.202 -4.307 1.00 0.00 C ATOM 834 NE ARG A 59 62.637 1.984 -4.329 1.00 0.00 N ATOM 835 CZ ARG A 59 61.423 1.421 -4.267 1.00 0.00 C ATOM 836 NH1 ARG A 59 61.280 0.124 -4.192 1.00 0.00 N ATOM 837 NH2 ARG A 59 60.367 2.185 -4.282 1.00 0.00 N1+ ATOM 0 H ARG A 59 65.404 0.242 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 59 63.910 2.745 -8.726 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.643 3.084 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 59 62.778 1.652 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.680 0.209 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 59 65.586 1.630 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.664 0.172 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 59 64.555 1.605 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 59 62.700 3.000 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 59 62.102 -0.480 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 59 60.346 -0.284 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.471 3.198 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.436 1.770 -4.235 1.00 0.00 H new ATOM 851 N CYS A 60 65.913 4.026 -7.470 1.00 0.00 N ATOM 852 CA CYS A 60 67.186 4.714 -7.245 1.00 0.00 C ATOM 853 C CYS A 60 67.406 4.964 -5.757 1.00 0.00 C ATOM 854 O CYS A 60 66.595 5.616 -5.097 1.00 0.00 O ATOM 855 CB CYS A 60 67.191 6.044 -7.996 1.00 0.00 C ATOM 856 SG CYS A 60 67.341 5.717 -9.770 1.00 0.00 S ATOM 0 H CYS A 60 65.085 4.599 -7.306 1.00 0.00 H new ATOM 0 HA CYS A 60 67.993 4.082 -7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 60 66.274 6.596 -7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.020 6.665 -7.656 1.00 0.00 H new ATOM 861 N VAL A 61 68.527 4.456 -5.244 1.00 0.00 N ATOM 862 CA VAL A 61 68.893 4.630 -3.835 1.00 0.00 C ATOM 863 C VAL A 61 70.263 5.280 -3.734 1.00 0.00 C ATOM 864 O VAL A 61 70.973 5.432 -4.726 1.00 0.00 O ATOM 865 CB VAL A 61 68.938 3.275 -3.092 1.00 0.00 C ATOM 866 CG1 VAL A 61 67.535 2.902 -2.577 1.00 0.00 C ATOM 867 CG2 VAL A 61 69.435 2.187 -4.058 1.00 0.00 C ATOM 0 H VAL A 61 69.202 3.917 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 61 68.134 5.262 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 61 69.615 3.356 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 61 67.581 1.946 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 61 67.182 3.672 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 61 66.847 2.823 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 61 69.469 1.229 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 61 68.755 2.117 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 61 70.433 2.444 -4.412 1.00 0.00 H new ATOM 877 N ALA A 62 70.630 5.619 -2.512 1.00 0.00 N ATOM 878 CA ALA A 62 71.929 6.203 -2.236 1.00 0.00 C ATOM 879 C ALA A 62 73.031 5.335 -2.851 1.00 0.00 C ATOM 880 O ALA A 62 72.879 4.125 -2.991 1.00 0.00 O ATOM 881 CB ALA A 62 72.095 6.311 -0.708 1.00 0.00 C ATOM 0 H ALA A 62 70.041 5.498 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 62 72.004 7.197 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 62 73.066 6.748 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 71.306 6.943 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 62 72.030 5.318 -0.264 1.00 0.00 H new ATOM 887 N LEU A 63 74.097 5.977 -3.308 1.00 0.00 N ATOM 888 CA LEU A 63 75.167 5.257 -3.989 1.00 0.00 C ATOM 889 C LEU A 63 75.654 4.062 -3.150 1.00 0.00 C ATOM 890 O LEU A 63 75.712 2.933 -3.635 1.00 0.00 O ATOM 891 CB LEU A 63 76.344 6.228 -4.266 1.00 0.00 C ATOM 892 CG LEU A 63 76.805 6.146 -5.731 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.881 7.210 -5.974 1.00 0.00 C ATOM 894 CD2 LEU A 63 77.377 4.749 -6.045 1.00 0.00 C ATOM 0 H LEU A 63 74.245 6.983 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 63 74.781 4.869 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.038 7.248 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.178 5.989 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 63 75.950 6.321 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.215 7.160 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.467 8.198 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.727 7.029 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 63 77.697 4.713 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.230 4.551 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.609 3.995 -5.875 1.00 0.00 H new ATOM 906 N GLU A 64 76.048 4.342 -1.909 1.00 0.00 N ATOM 907 CA GLU A 64 76.596 3.316 -1.018 1.00 0.00 C ATOM 908 C GLU A 64 75.637 2.140 -0.826 1.00 0.00 C ATOM 909 O GLU A 64 76.064 1.046 -0.455 1.00 0.00 O ATOM 910 CB GLU A 64 76.884 3.930 0.357 1.00 0.00 C ATOM 911 CG GLU A 64 77.939 5.030 0.238 1.00 0.00 C ATOM 912 CD GLU A 64 79.309 4.422 -0.042 1.00 0.00 C ATOM 913 OE1 GLU A 64 79.479 3.243 0.222 1.00 0.00 O1- ATOM 914 OE2 GLU A 64 80.173 5.148 -0.507 1.00 0.00 O ATOM 0 H GLU A 64 75.998 5.273 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 64 77.509 2.943 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 64 75.967 4.341 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 77.231 3.157 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 64 77.668 5.718 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 64 77.973 5.612 1.159 1.00 0.00 H new ATOM 921 N ARG A 65 74.345 2.368 -1.033 1.00 0.00 N ATOM 922 CA ARG A 65 73.356 1.310 -0.821 1.00 0.00 C ATOM 923 C ARG A 65 73.594 0.152 -1.784 1.00 0.00 C ATOM 924 O ARG A 65 73.061 -0.941 -1.595 1.00 0.00 O ATOM 925 CB ARG A 65 71.922 1.869 -1.001 1.00 0.00 C ATOM 926 CG ARG A 65 71.131 1.738 0.306 1.00 0.00 C ATOM 927 CD ARG A 65 71.722 2.675 1.380 1.00 0.00 C ATOM 928 NE ARG A 65 72.568 1.907 2.295 1.00 0.00 N ATOM 929 CZ ARG A 65 72.579 2.126 3.614 1.00 0.00 C ATOM 930 NH1 ARG A 65 71.781 3.010 4.154 1.00 0.00 N ATOM 931 NH2 ARG A 65 73.392 1.441 4.370 1.00 0.00 N1+ ATOM 0 H ARG A 65 73.959 3.260 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 65 73.463 0.940 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 65 71.968 2.915 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 65 71.411 1.329 -1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 65 70.084 1.986 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 65 71.161 0.706 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 72.306 3.464 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 65 70.919 3.161 1.934 1.00 0.00 H new ATOM 0 HE ARG A 65 73.171 1.178 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 65 71.139 3.543 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 65 71.800 3.166 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 65 74.012 0.746 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 65 73.408 1.601 5.377 1.00 0.00 H new ATOM 945 N CYS A 66 74.377 0.393 -2.819 1.00 0.00 N ATOM 946 CA CYS A 66 74.644 -0.661 -3.798 1.00 0.00 C ATOM 947 C CYS A 66 75.203 -1.894 -3.064 1.00 0.00 C ATOM 948 O CYS A 66 76.084 -1.753 -2.215 1.00 0.00 O ATOM 949 CB CYS A 66 75.653 -0.154 -4.855 1.00 0.00 C ATOM 950 SG CYS A 66 75.166 -0.717 -6.511 1.00 0.00 S ATOM 0 H CYS A 66 74.833 1.286 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 66 73.722 -0.935 -4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 66 75.698 0.935 -4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 66 76.652 -0.519 -4.618 1.00 0.00 H new ATOM 955 N PRO A 67 74.709 -3.087 -3.335 1.00 0.00 N ATOM 956 CA PRO A 67 75.187 -4.317 -2.633 1.00 0.00 C ATOM 957 C PRO A 67 76.610 -4.712 -3.030 1.00 0.00 C ATOM 958 O PRO A 67 77.019 -4.573 -4.184 1.00 0.00 O ATOM 959 CB PRO A 67 74.165 -5.387 -3.041 1.00 0.00 C ATOM 960 CG PRO A 67 73.671 -4.942 -4.377 1.00 0.00 C ATOM 961 CD PRO A 67 73.662 -3.411 -4.329 1.00 0.00 C ATOM 0 HA PRO A 67 75.247 -4.173 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 67 74.624 -6.374 -3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 67 73.351 -5.454 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 67 74.320 -5.305 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 67 72.673 -5.333 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 67 73.887 -2.978 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 67 72.689 -3.025 -4.026 1.00 0.00 H new ATOM 969 N CYS A 68 77.344 -5.220 -2.048 1.00 0.00 N ATOM 970 CA CYS A 68 78.728 -5.659 -2.263 1.00 0.00 C ATOM 971 C CYS A 68 78.763 -7.067 -2.873 1.00 0.00 C ATOM 972 O CYS A 68 78.212 -8.012 -2.319 1.00 0.00 O ATOM 973 CB CYS A 68 79.468 -5.624 -0.922 1.00 0.00 C ATOM 974 SG CYS A 68 81.155 -6.240 -1.093 1.00 0.00 S ATOM 0 H CYS A 68 77.009 -5.341 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 68 79.221 -4.988 -2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 68 79.488 -4.603 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 68 78.930 -6.227 -0.191 1.00 0.00 H new ATOM 979 N PHE A 69 79.373 -7.200 -4.053 1.00 0.00 N ATOM 980 CA PHE A 69 79.402 -8.493 -4.755 1.00 0.00 C ATOM 981 C PHE A 69 80.773 -9.168 -4.635 1.00 0.00 C ATOM 982 O PHE A 69 81.804 -8.577 -4.955 1.00 0.00 O ATOM 983 CB PHE A 69 79.032 -8.264 -6.244 1.00 0.00 C ATOM 984 CG PHE A 69 77.797 -9.066 -6.617 1.00 0.00 C ATOM 985 CD1 PHE A 69 77.826 -10.463 -6.533 1.00 0.00 C ATOM 986 CD2 PHE A 69 76.628 -8.415 -7.040 1.00 0.00 C ATOM 987 CE1 PHE A 69 76.692 -11.209 -6.871 1.00 0.00 C ATOM 988 CE2 PHE A 69 75.494 -9.163 -7.376 1.00 0.00 C ATOM 989 CZ PHE A 69 75.525 -10.560 -7.292 1.00 0.00 C ATOM 0 H PHE A 69 79.849 -6.441 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 69 78.676 -9.162 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 69 78.851 -7.204 -6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.867 -8.555 -6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 69 78.725 -10.965 -6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 69 76.604 -7.337 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 69 76.717 -12.287 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 69 74.594 -8.662 -7.700 1.00 0.00 H new ATOM 0 HZ PHE A 69 74.650 -11.137 -7.552 1.00 0.00 H new ATOM 999 N HIS A 70 80.760 -10.418 -4.168 1.00 0.00 N ATOM 1000 CA HIS A 70 81.989 -11.187 -4.007 1.00 0.00 C ATOM 1001 C HIS A 70 81.684 -12.678 -3.869 1.00 0.00 C ATOM 1002 O HIS A 70 80.703 -13.065 -3.235 1.00 0.00 O ATOM 1003 CB HIS A 70 82.736 -10.698 -2.768 1.00 0.00 C ATOM 1004 CG HIS A 70 84.083 -11.360 -2.682 1.00 0.00 C ATOM 1005 ND1 HIS A 70 84.473 -12.098 -1.577 1.00 0.00 N ATOM 1006 CD2 HIS A 70 85.147 -11.393 -3.550 1.00 0.00 C ATOM 1007 CE1 HIS A 70 85.723 -12.539 -1.803 1.00 0.00 C ATOM 1008 NE2 HIS A 70 86.182 -12.137 -2.991 1.00 0.00 N ATOM 0 H HIS A 70 79.912 -10.916 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 70 82.608 -11.043 -4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 70 82.856 -9.615 -2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 70 82.155 -10.920 -1.873 1.00 0.00 H new ATOM 0 HD2 HIS A 70 85.176 -10.915 -4.518 1.00 0.00 H new ATOM 0 HE1 HIS A 70 86.287 -13.144 -1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 70 87.095 -12.333 -3.401 1.00 0.00 H new ATOM 1016 N GLN A 71 82.549 -13.509 -4.445 1.00 0.00 N ATOM 1017 CA GLN A 71 82.390 -14.960 -4.362 1.00 0.00 C ATOM 1018 C GLN A 71 81.040 -15.392 -4.945 1.00 0.00 C ATOM 1019 O GLN A 71 80.634 -16.545 -4.825 1.00 0.00 O ATOM 1020 CB GLN A 71 82.526 -15.396 -2.887 1.00 0.00 C ATOM 1021 CG GLN A 71 82.569 -16.930 -2.734 1.00 0.00 C ATOM 1022 CD GLN A 71 83.617 -17.549 -3.657 1.00 0.00 C ATOM 1023 OE1 GLN A 71 83.416 -18.649 -4.172 1.00 0.00 O ATOM 1024 NE2 GLN A 71 84.724 -16.904 -3.899 1.00 0.00 N ATOM 0 H GLN A 71 83.366 -13.204 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 71 83.167 -15.447 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 71 83.434 -14.965 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 71 81.688 -14.999 -2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 71 82.794 -17.189 -1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 71 81.588 -17.348 -2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 71 84.887 -15.993 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 71 85.427 -17.311 -4.517 1.00 0.00 H new ATOM 1033 N GLY A 72 80.372 -14.470 -5.626 1.00 0.00 N ATOM 1034 CA GLY A 72 79.094 -14.782 -6.266 1.00 0.00 C ATOM 1035 C GLY A 72 77.930 -14.574 -5.309 1.00 0.00 C ATOM 1036 O GLY A 72 76.781 -14.461 -5.736 1.00 0.00 O ATOM 0 H GLY A 72 80.687 -13.508 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 72 78.962 -14.151 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 72 79.102 -15.815 -6.613 1.00 0.00 H new ATOM 1040 N LYS A 73 78.223 -14.508 -4.012 1.00 0.00 N ATOM 1041 CA LYS A 73 77.175 -14.294 -3.021 1.00 0.00 C ATOM 1042 C LYS A 73 76.916 -12.797 -2.869 1.00 0.00 C ATOM 1043 O LYS A 73 77.764 -12.063 -2.363 1.00 0.00 O ATOM 1044 CB LYS A 73 77.598 -14.889 -1.665 1.00 0.00 C ATOM 1045 CG LYS A 73 76.356 -15.236 -0.838 1.00 0.00 C ATOM 1046 CD LYS A 73 76.780 -15.680 0.564 1.00 0.00 C ATOM 1047 CE LYS A 73 75.537 -15.947 1.417 1.00 0.00 C ATOM 1048 NZ LYS A 73 75.917 -15.955 2.855 1.00 0.00 N1+ ATOM 0 H LYS A 73 79.164 -14.598 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 73 76.263 -14.789 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.202 -15.783 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.219 -14.176 -1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 73 75.697 -14.370 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 73 75.792 -16.030 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 73 77.391 -16.581 0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 73 77.394 -14.910 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 73 74.784 -15.180 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 73 75.092 -16.903 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 75.402 -16.714 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 76.940 -16.118 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 75.674 -15.039 3.283 1.00 0.00 H new ATOM 1062 N GLU A 74 75.751 -12.349 -3.314 1.00 0.00 N ATOM 1063 CA GLU A 74 75.415 -10.930 -3.220 1.00 0.00 C ATOM 1064 C GLU A 74 75.299 -10.529 -1.748 1.00 0.00 C ATOM 1065 O GLU A 74 74.349 -10.917 -1.070 1.00 0.00 O ATOM 1066 CB GLU A 74 74.091 -10.625 -3.971 1.00 0.00 C ATOM 1067 CG GLU A 74 73.271 -11.909 -4.154 1.00 0.00 C ATOM 1068 CD GLU A 74 73.002 -12.558 -2.802 1.00 0.00 C ATOM 1069 OE1 GLU A 74 72.392 -11.909 -1.968 1.00 0.00 O ATOM 1070 OE2 GLU A 74 73.412 -13.692 -2.618 1.00 0.00 O1- ATOM 0 H GLU A 74 75.031 -12.934 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 74 76.208 -10.348 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.510 -9.891 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.310 -10.184 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 74 72.328 -11.679 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.809 -12.604 -4.799 1.00 0.00 H new ATOM 1077 N TYR A 75 76.256 -9.730 -1.262 1.00 0.00 N ATOM 1078 CA TYR A 75 76.233 -9.268 0.138 1.00 0.00 C ATOM 1079 C TYR A 75 76.474 -7.757 0.200 1.00 0.00 C ATOM 1080 O TYR A 75 76.915 -7.158 -0.762 1.00 0.00 O ATOM 1081 CB TYR A 75 77.312 -10.021 0.970 1.00 0.00 C ATOM 1082 CG TYR A 75 76.688 -10.795 2.128 1.00 0.00 C ATOM 1083 CD1 TYR A 75 75.737 -10.189 2.967 1.00 0.00 C ATOM 1084 CD2 TYR A 75 77.068 -12.124 2.360 1.00 0.00 C ATOM 1085 CE1 TYR A 75 75.172 -10.908 4.024 1.00 0.00 C ATOM 1086 CE2 TYR A 75 76.503 -12.840 3.422 1.00 0.00 C ATOM 1087 CZ TYR A 75 75.554 -12.232 4.252 1.00 0.00 C ATOM 1088 OH TYR A 75 74.994 -12.938 5.295 1.00 0.00 O ATOM 0 H TYR A 75 77.049 -9.391 -1.807 1.00 0.00 H new ATOM 0 HA TYR A 75 75.252 -9.483 0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 75 77.857 -10.709 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 75 78.038 -9.306 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 75 75.442 -9.165 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 75 77.798 -12.596 1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 75 74.440 -10.440 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 75 76.800 -13.863 3.601 1.00 0.00 H new ATOM 0 HH TYR A 75 75.260 -12.531 6.146 1.00 0.00 H new ATOM 1098 N ALA A 76 76.143 -7.144 1.332 1.00 0.00 N ATOM 1099 CA ALA A 76 76.331 -5.701 1.515 1.00 0.00 C ATOM 1100 C ALA A 76 77.251 -5.433 2.721 1.00 0.00 C ATOM 1101 O ALA A 76 77.387 -6.294 3.589 1.00 0.00 O ATOM 1102 CB ALA A 76 74.959 -5.066 1.699 1.00 0.00 C ATOM 0 H ALA A 76 75.742 -7.621 2.140 1.00 0.00 H new ATOM 0 HA ALA A 76 76.814 -5.261 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.071 -3.991 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.349 -5.256 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.474 -5.496 2.575 1.00 0.00 H new ATOM 1108 N PRO A 77 77.886 -4.273 2.810 1.00 0.00 N ATOM 1109 CA PRO A 77 78.791 -3.962 3.961 1.00 0.00 C ATOM 1110 C PRO A 77 78.128 -4.242 5.309 1.00 0.00 C ATOM 1111 O PRO A 77 76.929 -4.509 5.381 1.00 0.00 O ATOM 1112 CB PRO A 77 79.116 -2.465 3.808 1.00 0.00 C ATOM 1113 CG PRO A 77 78.853 -2.133 2.370 1.00 0.00 C ATOM 1114 CD PRO A 77 77.824 -3.149 1.848 1.00 0.00 C ATOM 0 HA PRO A 77 79.683 -4.589 3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 77 78.494 -1.861 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 77 80.154 -2.261 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 77 78.472 -1.116 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 77 79.774 -2.185 1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 77 76.824 -2.716 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 77 78.069 -3.478 0.838 1.00 0.00 H new ATOM 1122 N GLY A 78 78.924 -4.171 6.376 1.00 0.00 N ATOM 1123 CA GLY A 78 78.419 -4.402 7.728 1.00 0.00 C ATOM 1124 C GLY A 78 78.642 -5.846 8.153 1.00 0.00 C ATOM 1125 O GLY A 78 79.152 -6.105 9.244 1.00 0.00 O ATOM 0 H GLY A 78 79.920 -3.956 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 78 78.920 -3.732 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 78 77.355 -4.167 7.768 1.00 0.00 H new ATOM 1129 N GLU A 79 78.288 -6.786 7.286 1.00 0.00 N ATOM 1130 CA GLU A 79 78.492 -8.198 7.600 1.00 0.00 C ATOM 1131 C GLU A 79 79.890 -8.622 7.184 1.00 0.00 C ATOM 1132 O GLU A 79 80.722 -7.782 6.837 1.00 0.00 O ATOM 1133 CB GLU A 79 77.447 -9.070 6.905 1.00 0.00 C ATOM 1134 CG GLU A 79 76.050 -8.714 7.432 1.00 0.00 C ATOM 1135 CD GLU A 79 75.063 -9.846 7.152 1.00 0.00 C ATOM 1136 OE1 GLU A 79 75.504 -10.910 6.749 1.00 0.00 O1- ATOM 1137 OE2 GLU A 79 73.880 -9.635 7.360 1.00 0.00 O ATOM 0 H GLU A 79 77.866 -6.604 6.376 1.00 0.00 H new ATOM 0 HA GLU A 79 78.381 -8.331 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 79 77.490 -8.918 5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.658 -10.124 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.098 -8.523 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 79 75.701 -7.795 6.960 1.00 0.00 H new ATOM 1144 N THR A 80 80.170 -9.917 7.272 1.00 0.00 N ATOM 1145 CA THR A 80 81.500 -10.413 6.938 1.00 0.00 C ATOM 1146 C THR A 80 81.447 -11.865 6.484 1.00 0.00 C ATOM 1147 O THR A 80 80.548 -12.621 6.856 1.00 0.00 O ATOM 1148 CB THR A 80 82.450 -10.301 8.158 1.00 0.00 C ATOM 1149 OG1 THR A 80 82.636 -11.582 8.746 1.00 0.00 O ATOM 1150 CG2 THR A 80 81.875 -9.357 9.226 1.00 0.00 C ATOM 0 H THR A 80 79.506 -10.633 7.567 1.00 0.00 H new ATOM 0 HA THR A 80 81.880 -9.798 6.122 1.00 0.00 H new ATOM 0 HB THR A 80 83.400 -9.903 7.801 1.00 0.00 H new ATOM 0 HG1 THR A 80 83.238 -11.505 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 80 82.564 -9.299 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 80 81.740 -8.363 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 80 80.913 -9.738 9.569 1.00 0.00 H new ATOM 1158 N VAL A 81 82.486 -12.265 5.758 1.00 0.00 N ATOM 1159 CA VAL A 81 82.650 -13.647 5.328 1.00 0.00 C ATOM 1160 C VAL A 81 84.087 -14.055 5.566 1.00 0.00 C ATOM 1161 O VAL A 81 84.972 -13.205 5.653 1.00 0.00 O ATOM 1162 CB VAL A 81 82.318 -13.812 3.843 1.00 0.00 C ATOM 1163 CG1 VAL A 81 80.834 -13.485 3.636 1.00 0.00 C ATOM 1164 CG2 VAL A 81 83.201 -12.874 2.967 1.00 0.00 C ATOM 0 H VAL A 81 83.234 -11.643 5.453 1.00 0.00 H new ATOM 0 HA VAL A 81 81.967 -14.276 5.898 1.00 0.00 H new ATOM 0 HB VAL A 81 82.523 -14.839 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 81 80.580 -13.598 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 81 80.225 -14.166 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 81 80.641 -12.459 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 81 82.945 -13.011 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 81 83.024 -11.837 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 81 84.253 -13.117 3.119 1.00 0.00 H new ATOM 1174 N LYS A 82 84.325 -15.350 5.675 1.00 0.00 N ATOM 1175 CA LYS A 82 85.671 -15.850 5.911 1.00 0.00 C ATOM 1176 C LYS A 82 86.307 -16.243 4.577 1.00 0.00 C ATOM 1177 O LYS A 82 85.660 -16.894 3.755 1.00 0.00 O ATOM 1178 CB LYS A 82 85.584 -17.072 6.834 1.00 0.00 C ATOM 1179 CG LYS A 82 86.874 -17.219 7.657 1.00 0.00 C ATOM 1180 CD LYS A 82 86.798 -18.485 8.552 1.00 0.00 C ATOM 1181 CE LYS A 82 87.555 -19.659 7.891 1.00 0.00 C ATOM 1182 NZ LYS A 82 87.503 -19.535 6.403 1.00 0.00 N1+ ATOM 0 H LYS A 82 83.609 -16.073 5.605 1.00 0.00 H new ATOM 0 HA LYS A 82 86.284 -15.081 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 82 84.729 -16.970 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 82 85.420 -17.972 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 82 87.734 -17.287 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 82 87.021 -16.335 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.228 -18.272 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 82 85.756 -18.761 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.592 -19.667 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 82 87.113 -20.606 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 87.956 -20.365 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 86.512 -19.481 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 88.005 -18.673 6.109 1.00 0.00 H new ATOM 1196 N ILE A 83 87.582 -15.902 4.375 1.00 0.00 N ATOM 1197 CA ILE A 83 88.299 -16.283 3.149 1.00 0.00 C ATOM 1198 C ILE A 83 89.537 -17.089 3.573 1.00 0.00 C ATOM 1199 O ILE A 83 90.616 -16.532 3.781 1.00 0.00 O ATOM 1200 CB ILE A 83 88.723 -15.017 2.319 1.00 0.00 C ATOM 1201 CG1 ILE A 83 88.088 -13.730 2.906 1.00 0.00 C ATOM 1202 CG2 ILE A 83 88.326 -15.159 0.831 1.00 0.00 C ATOM 1203 CD1 ILE A 83 86.569 -13.638 2.641 1.00 0.00 C ATOM 0 H ILE A 83 88.140 -15.365 5.039 1.00 0.00 H new ATOM 0 HA ILE A 83 87.650 -16.879 2.507 1.00 0.00 H new ATOM 0 HB ILE A 83 89.808 -14.939 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 83 88.267 -13.699 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 83 88.581 -12.858 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 83 88.634 -14.267 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 83 88.819 -16.033 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 83 87.245 -15.278 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 83 86.179 -12.717 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 83 86.386 -13.639 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 83 86.068 -14.493 3.095 1.00 0.00 H new ATOM 1215 N GLY A 84 89.359 -18.391 3.768 1.00 0.00 N ATOM 1216 CA GLY A 84 90.453 -19.239 4.236 1.00 0.00 C ATOM 1217 C GLY A 84 90.637 -19.072 5.744 1.00 0.00 C ATOM 1218 O GLY A 84 90.605 -20.047 6.495 1.00 0.00 O ATOM 0 H GLY A 84 88.478 -18.880 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 84 90.242 -20.282 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 84 91.375 -18.976 3.718 1.00 0.00 H new ATOM 1222 N CYS A 85 90.814 -17.825 6.177 1.00 0.00 N ATOM 1223 CA CYS A 85 90.981 -17.533 7.601 1.00 0.00 C ATOM 1224 C CYS A 85 91.152 -16.032 7.822 1.00 0.00 C ATOM 1225 O CYS A 85 91.112 -15.549 8.953 1.00 0.00 O ATOM 1226 CB CYS A 85 92.197 -18.299 8.156 1.00 0.00 C ATOM 1227 SG CYS A 85 93.439 -18.476 6.853 1.00 0.00 S ATOM 0 H CYS A 85 90.845 -17.007 5.569 1.00 0.00 H new ATOM 0 HA CYS A 85 90.087 -17.858 8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 85 92.620 -17.765 9.007 1.00 0.00 H new ATOM 0 HB3 CYS A 85 91.889 -19.281 8.516 1.00 0.00 H new ATOM 1232 N ASN A 86 91.318 -15.303 6.727 1.00 0.00 N ATOM 1233 CA ASN A 86 91.471 -13.852 6.786 1.00 0.00 C ATOM 1234 C ASN A 86 90.092 -13.187 6.867 1.00 0.00 C ATOM 1235 O ASN A 86 89.140 -13.632 6.226 1.00 0.00 O ATOM 1236 CB ASN A 86 92.284 -13.382 5.545 1.00 0.00 C ATOM 1237 CG ASN A 86 91.622 -12.219 4.808 1.00 0.00 C ATOM 1238 OD1 ASN A 86 91.325 -11.185 5.407 1.00 0.00 O ATOM 1239 ND2 ASN A 86 91.381 -12.335 3.531 1.00 0.00 N ATOM 0 H ASN A 86 91.350 -15.692 5.784 1.00 0.00 H new ATOM 0 HA ASN A 86 92.020 -13.558 7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 86 93.283 -13.083 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 86 92.406 -14.219 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 86 90.944 -11.566 3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 86 91.630 -13.194 3.041 1.00 0.00 H new ATOM 1246 N THR A 87 90.006 -12.098 7.626 1.00 0.00 N ATOM 1247 CA THR A 87 88.758 -11.341 7.750 1.00 0.00 C ATOM 1248 C THR A 87 88.771 -10.201 6.736 1.00 0.00 C ATOM 1249 O THR A 87 89.756 -9.474 6.609 1.00 0.00 O ATOM 1250 CB THR A 87 88.624 -10.789 9.190 1.00 0.00 C ATOM 1251 OG1 THR A 87 88.345 -11.876 10.066 1.00 0.00 O ATOM 1252 CG2 THR A 87 87.479 -9.749 9.330 1.00 0.00 C ATOM 0 H THR A 87 90.784 -11.718 8.165 1.00 0.00 H new ATOM 0 HA THR A 87 87.904 -11.989 7.550 1.00 0.00 H new ATOM 0 HB THR A 87 89.561 -10.290 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 87 88.259 -11.543 10.984 1.00 0.00 H new ATOM 0 HG21 THR A 87 87.432 -9.396 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 87 87.670 -8.906 8.666 1.00 0.00 H new ATOM 0 HG23 THR A 87 86.530 -10.214 9.062 1.00 0.00 H new ATOM 1260 N CYS A 88 87.656 -10.050 6.023 1.00 0.00 N ATOM 1261 CA CYS A 88 87.517 -8.987 5.028 1.00 0.00 C ATOM 1262 C CYS A 88 86.106 -8.414 5.077 1.00 0.00 C ATOM 1263 O CYS A 88 85.143 -9.129 5.360 1.00 0.00 O ATOM 1264 CB CYS A 88 87.802 -9.529 3.630 1.00 0.00 C ATOM 1265 SG CYS A 88 89.440 -10.289 3.593 1.00 0.00 S ATOM 0 H CYS A 88 86.836 -10.650 6.115 1.00 0.00 H new ATOM 0 HA CYS A 88 88.236 -8.200 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.044 -10.262 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 88 87.748 -8.722 2.899 1.00 0.00 H new ATOM 1270 N VAL A 89 85.991 -7.117 4.800 1.00 0.00 N ATOM 1271 CA VAL A 89 84.694 -6.434 4.816 1.00 0.00 C ATOM 1272 C VAL A 89 84.610 -5.413 3.688 1.00 0.00 C ATOM 1273 O VAL A 89 85.587 -4.725 3.387 1.00 0.00 O ATOM 1274 CB VAL A 89 84.502 -5.714 6.155 1.00 0.00 C ATOM 1275 CG1 VAL A 89 83.012 -5.309 6.343 1.00 0.00 C ATOM 1276 CG2 VAL A 89 84.956 -6.642 7.291 1.00 0.00 C ATOM 0 H VAL A 89 86.779 -6.515 4.561 1.00 0.00 H new ATOM 0 HA VAL A 89 83.913 -7.182 4.680 1.00 0.00 H new ATOM 0 HB VAL A 89 85.102 -4.804 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 89 82.891 -4.799 7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 89 82.712 -4.642 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 89 82.387 -6.202 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 89 84.823 -6.138 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 84.360 -7.554 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 89 86.008 -6.894 7.157 1.00 0.00 H new ATOM 1286 N CYS A 90 83.435 -5.310 3.077 1.00 0.00 N ATOM 1287 CA CYS A 90 83.227 -4.356 1.994 1.00 0.00 C ATOM 1288 C CYS A 90 83.272 -2.925 2.514 1.00 0.00 C ATOM 1289 O CYS A 90 82.385 -2.482 3.244 1.00 0.00 O ATOM 1290 CB CYS A 90 81.878 -4.605 1.331 1.00 0.00 C ATOM 1291 SG CYS A 90 81.759 -6.338 0.833 1.00 0.00 S ATOM 0 H CYS A 90 82.616 -5.872 3.311 1.00 0.00 H new ATOM 0 HA CYS A 90 84.027 -4.493 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 90 81.071 -4.358 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 90 81.763 -3.957 0.462 1.00 0.00 H new ATOM 1296 N ARG A 91 84.287 -2.198 2.068 1.00 0.00 N ATOM 1297 CA ARG A 91 84.458 -0.785 2.407 1.00 0.00 C ATOM 1298 C ARG A 91 84.432 0.022 1.109 1.00 0.00 C ATOM 1299 O ARG A 91 85.207 -0.237 0.193 1.00 0.00 O ATOM 1300 CB ARG A 91 85.816 -0.582 3.127 1.00 0.00 C ATOM 1301 CG ARG A 91 85.642 -0.525 4.667 1.00 0.00 C ATOM 1302 CD ARG A 91 85.411 0.922 5.148 1.00 0.00 C ATOM 1303 NE ARG A 91 84.014 1.304 4.965 1.00 0.00 N ATOM 1304 CZ ARG A 91 83.088 0.948 5.851 1.00 0.00 C ATOM 1305 NH1 ARG A 91 83.430 0.240 6.892 1.00 0.00 N ATOM 1306 NH2 ARG A 91 81.846 1.308 5.686 1.00 0.00 N1+ ATOM 0 H ARG A 91 85.018 -2.568 1.460 1.00 0.00 H new ATOM 0 HA ARG A 91 83.659 -0.455 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 91 86.492 -1.396 2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 91 86.279 0.341 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 91 84.799 -1.149 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 91 86.528 -0.935 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.684 1.010 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.056 1.603 4.593 1.00 0.00 H new ATOM 0 HE ARG A 91 83.745 1.851 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.403 -0.037 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 91 82.725 -0.036 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 91 81.580 1.865 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 91 81.140 1.032 6.369 1.00 0.00 H new ATOM 1320 N ASP A 92 83.510 0.974 1.041 1.00 0.00 N ATOM 1321 CA ASP A 92 83.336 1.816 -0.140 1.00 0.00 C ATOM 1322 C ASP A 92 83.578 1.049 -1.446 1.00 0.00 C ATOM 1323 O ASP A 92 84.442 1.404 -2.245 1.00 0.00 O ATOM 1324 CB ASP A 92 84.217 3.079 -0.037 1.00 0.00 C ATOM 1325 CG ASP A 92 85.713 2.784 -0.212 1.00 0.00 C ATOM 1326 OD1 ASP A 92 86.054 1.730 -0.716 1.00 0.00 O ATOM 1327 OD2 ASP A 92 86.502 3.636 0.169 1.00 0.00 O1- ATOM 0 H ASP A 92 82.862 1.185 1.800 1.00 0.00 H new ATOM 0 HA ASP A 92 82.294 2.133 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 92 83.903 3.797 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 92 84.056 3.549 0.933 1.00 0.00 H new ATOM 1332 N ARG A 93 82.746 0.027 -1.678 1.00 0.00 N ATOM 1333 CA ARG A 93 82.815 -0.767 -2.910 1.00 0.00 C ATOM 1334 C ARG A 93 84.181 -1.429 -3.060 1.00 0.00 C ATOM 1335 O ARG A 93 84.512 -1.959 -4.121 1.00 0.00 O ATOM 1336 CB ARG A 93 82.527 0.131 -4.131 1.00 0.00 C ATOM 1337 CG ARG A 93 81.004 0.357 -4.273 1.00 0.00 C ATOM 1338 CD ARG A 93 80.693 1.630 -5.103 1.00 0.00 C ATOM 1339 NE ARG A 93 80.068 1.267 -6.369 1.00 0.00 N ATOM 1340 CZ ARG A 93 80.078 2.104 -7.401 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.667 3.263 -7.295 1.00 0.00 N ATOM 1342 NH2 ARG A 93 79.504 1.765 -8.519 1.00 0.00 N1+ ATOM 0 H ARG A 93 82.017 -0.270 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 93 82.061 -1.552 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 93 83.036 1.088 -4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 93 82.920 -0.334 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.549 -0.511 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 93 80.555 0.447 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 93 80.032 2.288 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.613 2.185 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 93 79.616 0.357 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 93 81.120 3.527 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 93 80.675 3.906 -8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 93 79.047 0.857 -8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 93 79.511 2.407 -9.311 1.00 0.00 H new ATOM 1356 N LYS A 94 84.966 -1.410 -1.985 1.00 0.00 N ATOM 1357 CA LYS A 94 86.296 -2.019 -1.991 1.00 0.00 C ATOM 1358 C LYS A 94 86.484 -2.839 -0.719 1.00 0.00 C ATOM 1359 O LYS A 94 86.328 -2.323 0.389 1.00 0.00 O ATOM 1360 CB LYS A 94 87.368 -0.920 -2.054 1.00 0.00 C ATOM 1361 CG LYS A 94 88.802 -1.535 -2.059 1.00 0.00 C ATOM 1362 CD LYS A 94 89.626 -0.955 -0.898 1.00 0.00 C ATOM 1363 CE LYS A 94 91.098 -1.371 -1.012 1.00 0.00 C ATOM 1364 NZ LYS A 94 91.931 -0.405 -0.240 1.00 0.00 N1+ ATOM 0 H LYS A 94 84.705 -0.980 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 94 86.392 -2.668 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.224 -0.318 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 94 87.259 -0.251 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 94 88.742 -2.619 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 94 89.295 -1.322 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 94 89.550 0.132 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 94 89.218 -1.301 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 94 91.236 -2.381 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 94 91.407 -1.384 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 92.932 -0.677 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 91.804 0.551 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 91.639 -0.415 0.758 1.00 0.00 H new ATOM 1378 N TRP A 95 86.849 -4.108 -0.881 1.00 0.00 N ATOM 1379 CA TRP A 95 87.082 -4.983 0.261 1.00 0.00 C ATOM 1380 C TRP A 95 88.397 -4.611 0.939 1.00 0.00 C ATOM 1381 O TRP A 95 89.336 -4.153 0.286 1.00 0.00 O ATOM 1382 CB TRP A 95 87.103 -6.443 -0.207 1.00 0.00 C ATOM 1383 CG TRP A 95 85.716 -6.865 -0.599 1.00 0.00 C ATOM 1384 CD1 TRP A 95 84.985 -6.312 -1.596 1.00 0.00 C ATOM 1385 CD2 TRP A 95 84.885 -7.920 -0.025 1.00 0.00 C ATOM 1386 NE1 TRP A 95 83.760 -6.954 -1.663 1.00 0.00 N ATOM 1387 CE2 TRP A 95 83.652 -7.952 -0.715 1.00 0.00 C ATOM 1388 CE3 TRP A 95 85.078 -8.843 1.020 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 82.649 -8.863 -0.379 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 84.074 -9.758 1.359 1.00 0.00 C ATOM 1391 CH2 TRP A 95 82.859 -9.768 0.662 1.00 0.00 C ATOM 0 H TRP A 95 86.989 -4.551 -1.789 1.00 0.00 H new ATOM 0 HA TRP A 95 86.277 -4.862 0.986 1.00 0.00 H new ATOM 0 HB2 TRP A 95 87.781 -6.555 -1.053 1.00 0.00 H new ATOM 0 HB3 TRP A 95 87.478 -7.086 0.589 1.00 0.00 H new ATOM 0 HD1 TRP A 95 85.305 -5.502 -2.235 1.00 0.00 H new ATOM 0 HE1 TRP A 95 83.027 -6.718 -2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 95 86.010 -8.845 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 81.715 -8.867 -0.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 84.237 -10.460 2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 95 82.087 -10.474 0.930 1.00 0.00 H new ATOM 1402 N ASN A 96 88.462 -4.821 2.253 1.00 0.00 N ATOM 1403 CA ASN A 96 89.672 -4.519 3.026 1.00 0.00 C ATOM 1404 C ASN A 96 90.092 -5.745 3.843 1.00 0.00 C ATOM 1405 O ASN A 96 89.482 -6.061 4.864 1.00 0.00 O ATOM 1406 CB ASN A 96 89.400 -3.320 3.958 1.00 0.00 C ATOM 1407 CG ASN A 96 89.709 -2.003 3.242 1.00 0.00 C ATOM 1408 OD1 ASN A 96 90.770 -1.417 3.450 1.00 0.00 O ATOM 1409 ND2 ASN A 96 88.842 -1.507 2.403 1.00 0.00 N ATOM 0 H ASN A 96 87.693 -5.199 2.807 1.00 0.00 H new ATOM 0 HA ASN A 96 90.483 -4.263 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 96 88.358 -3.330 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 96 90.011 -3.404 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 96 89.044 -0.632 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 96 87.962 -1.994 2.231 1.00 0.00 H new ATOM 1416 N CYS A 97 91.139 -6.435 3.377 1.00 0.00 N ATOM 1417 CA CYS A 97 91.637 -7.636 4.061 1.00 0.00 C ATOM 1418 C CYS A 97 92.887 -7.312 4.880 1.00 0.00 C ATOM 1419 O CYS A 97 93.734 -6.530 4.448 1.00 0.00 O ATOM 1420 CB CYS A 97 91.962 -8.718 3.030 1.00 0.00 C ATOM 1421 SG CYS A 97 90.439 -9.224 2.196 1.00 0.00 S ATOM 0 H CYS A 97 91.656 -6.185 2.534 1.00 0.00 H new ATOM 0 HA CYS A 97 90.863 -7.997 4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 97 92.680 -8.340 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 97 92.425 -9.575 3.519 1.00 0.00 H new ATOM 1426 N THR A 98 92.945 -7.838 6.104 1.00 0.00 N ATOM 1427 CA THR A 98 94.037 -7.513 7.023 1.00 0.00 C ATOM 1428 C THR A 98 95.414 -7.986 6.545 1.00 0.00 C ATOM 1429 O THR A 98 96.285 -7.146 6.356 1.00 0.00 O ATOM 1430 CB THR A 98 93.714 -8.128 8.396 1.00 0.00 C ATOM 1431 OG1 THR A 98 93.000 -9.338 8.199 1.00 0.00 O ATOM 1432 CG2 THR A 98 92.849 -7.164 9.223 1.00 0.00 C ATOM 0 H THR A 98 92.254 -8.487 6.480 1.00 0.00 H new ATOM 0 HA THR A 98 94.104 -6.426 7.078 1.00 0.00 H new ATOM 0 HB THR A 98 94.644 -8.317 8.932 1.00 0.00 H new ATOM 0 HG1 THR A 98 93.633 -10.072 8.054 1.00 0.00 H new ATOM 0 HG21 THR A 98 92.629 -7.613 10.192 1.00 0.00 H new ATOM 0 HG22 THR A 98 93.387 -6.228 9.371 1.00 0.00 H new ATOM 0 HG23 THR A 98 91.917 -6.967 8.694 1.00 0.00 H new ATOM 1440 N ASP A 99 95.603 -9.300 6.343 1.00 0.00 N ATOM 1441 CA ASP A 99 96.884 -9.899 5.874 1.00 0.00 C ATOM 1442 C ASP A 99 97.612 -10.664 6.985 1.00 0.00 C ATOM 1443 O ASP A 99 98.573 -10.164 7.571 1.00 0.00 O ATOM 1444 CB ASP A 99 97.875 -8.903 5.247 1.00 0.00 C ATOM 1445 CG ASP A 99 97.294 -8.316 3.965 1.00 0.00 C ATOM 1446 OD1 ASP A 99 97.495 -8.917 2.921 1.00 0.00 O ATOM 1447 OD2 ASP A 99 96.655 -7.280 4.041 1.00 0.00 O1- ATOM 0 H ASP A 99 94.870 -9.992 6.499 1.00 0.00 H new ATOM 0 HA ASP A 99 96.562 -10.583 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 99 98.094 -8.103 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 99 98.818 -9.405 5.031 1.00 0.00 H new ATOM 1452 N HIS A 100 97.217 -11.928 7.189 1.00 0.00 N ATOM 1453 CA HIS A 100 97.907 -12.820 8.137 1.00 0.00 C ATOM 1454 C HIS A 100 98.337 -14.075 7.374 1.00 0.00 C ATOM 1455 O HIS A 100 97.508 -14.734 6.747 1.00 0.00 O ATOM 1456 CB HIS A 100 96.989 -13.218 9.331 1.00 0.00 C ATOM 1457 CG HIS A 100 95.719 -12.421 9.304 1.00 0.00 C ATOM 1458 ND1 HIS A 100 95.517 -11.320 10.121 1.00 0.00 N ATOM 1459 CD2 HIS A 100 94.570 -12.566 8.576 1.00 0.00 C ATOM 1460 CE1 HIS A 100 94.283 -10.849 9.865 1.00 0.00 C ATOM 1461 NE2 HIS A 100 93.663 -11.573 8.927 1.00 0.00 N ATOM 0 H HIS A 100 96.424 -12.358 6.712 1.00 0.00 H new ATOM 0 HA HIS A 100 98.769 -12.298 8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 100 96.759 -14.282 9.282 1.00 0.00 H new ATOM 0 HB3 HIS A 100 97.512 -13.048 10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 100 94.394 -13.336 7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 100 93.847 -9.992 10.356 1.00 0.00 H new ATOM 0 HE2 HIS A 100 92.726 -11.428 8.550 1.00 0.00 H new ATOM 1469 N VAL A 101 99.619 -14.414 7.435 1.00 0.00 N ATOM 1470 CA VAL A 101 100.102 -15.606 6.745 1.00 0.00 C ATOM 1471 C VAL A 101 99.527 -16.845 7.433 1.00 0.00 C ATOM 1472 O VAL A 101 100.043 -17.295 8.458 1.00 0.00 O ATOM 1473 CB VAL A 101 101.658 -15.641 6.761 1.00 0.00 C ATOM 1474 CG1 VAL A 101 102.247 -15.043 5.467 1.00 0.00 C ATOM 1475 CG2 VAL A 101 102.170 -14.825 7.955 1.00 0.00 C ATOM 0 H VAL A 101 100.332 -13.892 7.945 1.00 0.00 H new ATOM 0 HA VAL A 101 99.776 -15.588 5.705 1.00 0.00 H new ATOM 0 HB VAL A 101 101.972 -16.682 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 101 103.335 -15.083 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 101 101.897 -15.617 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 101 101.925 -14.006 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 101 103.260 -14.847 7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 101 101.829 -13.794 7.864 1.00 0.00 H new ATOM 0 HG23 VAL A 101 101.786 -15.254 8.880 1.00 0.00 H new ATOM 1485 N CYS A 102 98.462 -17.403 6.853 1.00 0.00 N ATOM 1486 CA CYS A 102 97.823 -18.591 7.410 1.00 0.00 C ATOM 1487 C CYS A 102 98.693 -19.819 7.154 1.00 0.00 C ATOM 1488 O CYS A 102 99.572 -19.800 6.291 1.00 0.00 O ATOM 1489 CB CYS A 102 96.439 -18.789 6.762 1.00 0.00 C ATOM 1490 SG CYS A 102 95.175 -17.916 7.722 1.00 0.00 S ATOM 0 H CYS A 102 98.027 -17.050 6.000 1.00 0.00 H new ATOM 0 HA CYS A 102 97.701 -18.459 8.485 1.00 0.00 H new ATOM 0 HB2 CYS A 102 96.451 -18.417 5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 102 96.200 -19.851 6.712 1.00 0.00 H new ATOM 1495 N ASP A 103 98.446 -20.883 7.913 1.00 0.00 N ATOM 1496 CA ASP A 103 99.208 -22.122 7.767 1.00 0.00 C ATOM 1497 C ASP A 103 98.484 -23.090 6.836 1.00 0.00 C ATOM 1498 O ASP A 103 98.015 -22.648 5.800 1.00 0.00 O ATOM 1499 CB ASP A 103 99.388 -22.773 9.137 1.00 0.00 C ATOM 1500 CG ASP A 103 100.010 -21.775 10.108 1.00 0.00 C ATOM 1501 OD1 ASP A 103 99.597 -20.626 10.090 1.00 0.00 O ATOM 1502 OD2 ASP A 103 100.889 -22.172 10.852 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 98.410 -24.261 7.172 1.00 0.00 O ATOM 0 H ASP A 103 97.726 -20.913 8.635 1.00 0.00 H new ATOM 0 HA ASP A 103 100.182 -21.886 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 103 98.425 -23.112 9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 103 100.024 -23.654 9.050 1.00 0.00 H new TER 1508 ASP A 103