USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 418 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 5 LYS NZ :NH3+ -121:sc= -2 (180deg=-9.4!) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -148:sc= -0.133 (180deg=-1.05) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 9 TYR OH : rot 30:sc= -2.23! USER MOD Single : A 10 LYS NZ :NH3+ -154:sc= -3.54! (180deg=-6.48!) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= -0.387 (180deg=-2.2!) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.276) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -10:sc= 0.713 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.06 K(o=-2.1,f=-7.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc=-0.000868 (180deg=-0.000868) USER MOD Single : A 47 THR OG1 : rot 46:sc= 0.0211 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 140:sc= -3.3! USER MOD Single : A 52 THR OG1 : rot -79:sc= -0.808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.435 -30.566 10.520 1.00 0.00 N ATOM 2 CA GLU A 1 0.409 -29.422 11.474 1.00 0.00 C ATOM 3 C GLU A 1 1.103 -28.220 10.843 1.00 0.00 C ATOM 4 O GLU A 1 2.290 -27.988 11.071 1.00 0.00 O ATOM 5 CB GLU A 1 1.125 -29.821 12.765 1.00 0.00 C ATOM 6 CG GLU A 1 0.358 -30.956 13.446 1.00 0.00 C ATOM 7 CD GLU A 1 -0.843 -30.395 14.200 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.703 -29.342 14.799 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.887 -31.026 14.165 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.418 -31.146 10.650 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.463 -30.205 9.545 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.279 -31.147 10.698 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.623 -29.158 11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.144 -30.138 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.196 -28.963 13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.025 -31.679 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.014 -31.487 14.135 1.00 0.00 H new ATOM 18 N VAL A 2 0.355 -27.459 10.052 1.00 0.00 N ATOM 19 CA VAL A 2 0.910 -26.280 9.394 1.00 0.00 C ATOM 20 C VAL A 2 -0.202 -25.407 8.826 1.00 0.00 C ATOM 21 O VAL A 2 -1.193 -25.910 8.298 1.00 0.00 O ATOM 22 CB VAL A 2 1.854 -26.703 8.266 1.00 0.00 C ATOM 23 CG1 VAL A 2 1.181 -27.773 7.408 1.00 0.00 C ATOM 24 CG2 VAL A 2 2.183 -25.488 7.397 1.00 0.00 C ATOM 0 H VAL A 2 -0.630 -27.634 9.851 1.00 0.00 H new ATOM 0 HA VAL A 2 1.465 -25.705 10.135 1.00 0.00 H new ATOM 0 HB VAL A 2 2.772 -27.107 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.855 -28.073 6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.945 -28.639 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.263 -27.371 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.855 -25.787 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.264 -25.086 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.665 -24.724 8.007 1.00 0.00 H new ATOM 34 N ILE A 3 -0.027 -24.096 8.942 1.00 0.00 N ATOM 35 CA ILE A 3 -1.021 -23.155 8.439 1.00 0.00 C ATOM 36 C ILE A 3 -1.013 -23.137 6.912 1.00 0.00 C ATOM 37 O ILE A 3 0.047 -23.095 6.287 1.00 0.00 O ATOM 38 CB ILE A 3 -0.739 -21.749 8.988 1.00 0.00 C ATOM 39 CG1 ILE A 3 -1.179 -20.690 7.971 1.00 0.00 C ATOM 40 CG2 ILE A 3 0.757 -21.587 9.263 1.00 0.00 C ATOM 41 CD1 ILE A 3 -1.055 -19.300 8.597 1.00 0.00 C ATOM 0 H ILE A 3 0.788 -23.662 9.377 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.007 -23.475 8.776 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.298 -21.618 9.915 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.562 -20.753 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.209 -20.872 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.949 -20.587 9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.075 -22.329 9.996 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.315 -21.729 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.368 -18.546 7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.690 -19.241 9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.018 -19.121 8.883 1.00 0.00 H new ATOM 53 N LYS A 4 -2.203 -23.171 6.322 1.00 0.00 N ATOM 54 CA LYS A 4 -2.330 -23.163 4.869 1.00 0.00 C ATOM 55 C LYS A 4 -3.142 -21.960 4.406 1.00 0.00 C ATOM 56 O LYS A 4 -4.338 -21.866 4.681 1.00 0.00 O ATOM 57 CB LYS A 4 -3.014 -24.448 4.401 1.00 0.00 C ATOM 58 CG LYS A 4 -2.331 -25.654 5.045 1.00 0.00 C ATOM 59 CD LYS A 4 -2.247 -26.796 4.031 1.00 0.00 C ATOM 60 CE LYS A 4 -1.936 -28.107 4.756 1.00 0.00 C ATOM 61 NZ LYS A 4 -3.031 -29.085 4.504 1.00 0.00 N ATOM 0 H LYS A 4 -3.090 -23.204 6.825 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.331 -23.100 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.070 -24.429 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.963 -24.525 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.332 -25.381 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.890 -25.975 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.188 -26.884 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.473 -26.584 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.986 -28.511 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.833 -27.928 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.820 -29.976 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.930 -28.698 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.108 -29.264 3.482 1.00 0.00 H new ATOM 75 N LYS A 5 -2.490 -21.042 3.697 1.00 0.00 N ATOM 76 CA LYS A 5 -3.175 -19.856 3.202 1.00 0.00 C ATOM 77 C LYS A 5 -3.085 -19.780 1.680 1.00 0.00 C ATOM 78 O LYS A 5 -2.045 -19.430 1.123 1.00 0.00 O ATOM 79 CB LYS A 5 -2.559 -18.598 3.817 1.00 0.00 C ATOM 80 CG LYS A 5 -1.066 -18.538 3.483 1.00 0.00 C ATOM 81 CD LYS A 5 -0.782 -17.296 2.637 1.00 0.00 C ATOM 82 CE LYS A 5 -0.801 -16.055 3.531 1.00 0.00 C ATOM 83 NZ LYS A 5 -0.051 -14.951 2.869 1.00 0.00 N ATOM 0 H LYS A 5 -1.500 -21.097 3.456 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.224 -19.921 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.063 -17.710 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.700 -18.604 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.478 -18.508 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.767 -19.436 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.187 -17.390 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.529 -17.201 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.829 -15.747 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.353 -16.284 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.735 -14.650 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.327 -15.285 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.690 -14.147 2.705 1.00 0.00 H new ATOM 97 N ASP A 6 -4.187 -20.109 1.019 1.00 0.00 N ATOM 98 CA ASP A 6 -4.240 -20.079 -0.437 1.00 0.00 C ATOM 99 C ASP A 6 -5.132 -18.938 -0.909 1.00 0.00 C ATOM 100 O ASP A 6 -6.195 -18.698 -0.337 1.00 0.00 O ATOM 101 CB ASP A 6 -4.797 -21.402 -0.960 1.00 0.00 C ATOM 102 CG ASP A 6 -6.294 -21.482 -0.682 1.00 0.00 C ATOM 103 OD1 ASP A 6 -6.701 -21.064 0.390 1.00 0.00 O ATOM 104 OD2 ASP A 6 -7.012 -21.958 -1.545 1.00 0.00 O ATOM 0 H ASP A 6 -5.056 -20.400 1.467 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.231 -19.927 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.612 -21.486 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.285 -22.237 -0.482 1.00 0.00 H new ATOM 109 N THR A 7 -4.703 -18.236 -1.953 1.00 0.00 N ATOM 110 CA THR A 7 -5.496 -17.129 -2.472 1.00 0.00 C ATOM 111 C THR A 7 -6.060 -17.473 -3.851 1.00 0.00 C ATOM 112 O THR A 7 -5.602 -18.419 -4.492 1.00 0.00 O ATOM 113 CB THR A 7 -4.637 -15.867 -2.571 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.679 -15.372 -3.903 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.192 -16.197 -2.194 1.00 0.00 C ATOM 0 H THR A 7 -3.828 -18.409 -2.448 1.00 0.00 H new ATOM 0 HA THR A 7 -6.324 -16.950 -1.786 1.00 0.00 H new ATOM 0 HB THR A 7 -5.023 -15.111 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.131 -14.562 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.583 -15.296 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.160 -16.577 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.802 -16.954 -2.875 1.00 0.00 H new ATOM 123 N PRO A 8 -7.033 -16.729 -4.322 1.00 0.00 N ATOM 124 CA PRO A 8 -7.655 -16.956 -5.649 1.00 0.00 C ATOM 125 C PRO A 8 -7.054 -16.046 -6.716 1.00 0.00 C ATOM 126 O PRO A 8 -6.954 -14.835 -6.522 1.00 0.00 O ATOM 127 CB PRO A 8 -9.103 -16.572 -5.379 1.00 0.00 C ATOM 128 CG PRO A 8 -9.013 -15.434 -4.405 1.00 0.00 C ATOM 129 CD PRO A 8 -7.679 -15.587 -3.652 1.00 0.00 C ATOM 0 HA PRO A 8 -7.516 -17.969 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.612 -16.271 -6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.665 -17.408 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.054 -14.477 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.852 -15.455 -3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.072 -14.684 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.837 -15.781 -2.591 1.00 0.00 H new ATOM 137 N TYR A 9 -6.652 -16.633 -7.838 1.00 0.00 N ATOM 138 CA TYR A 9 -6.058 -15.853 -8.917 1.00 0.00 C ATOM 139 C TYR A 9 -5.575 -16.763 -10.042 1.00 0.00 C ATOM 140 O TYR A 9 -5.538 -17.980 -9.889 1.00 0.00 O ATOM 141 CB TYR A 9 -4.877 -15.047 -8.377 1.00 0.00 C ATOM 142 CG TYR A 9 -4.088 -14.490 -9.533 1.00 0.00 C ATOM 143 CD1 TYR A 9 -4.330 -13.188 -9.987 1.00 0.00 C ATOM 144 CD2 TYR A 9 -3.120 -15.282 -10.158 1.00 0.00 C ATOM 145 CE1 TYR A 9 -3.602 -12.679 -11.068 1.00 0.00 C ATOM 146 CE2 TYR A 9 -2.393 -14.774 -11.237 1.00 0.00 C ATOM 147 CZ TYR A 9 -2.633 -13.472 -11.693 1.00 0.00 C ATOM 148 OH TYR A 9 -1.917 -12.970 -12.759 1.00 0.00 O ATOM 0 H TYR A 9 -6.725 -17.633 -8.023 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.818 -15.180 -9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.234 -14.237 -7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.241 -15.681 -7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.078 -12.577 -9.503 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.934 -16.286 -9.807 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.788 -11.675 -11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.645 -15.386 -11.720 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.828 -11.999 -12.665 1.00 0.00 H new ATOM 158 N LYS A 10 -5.201 -16.156 -11.168 1.00 0.00 N ATOM 159 CA LYS A 10 -4.713 -16.910 -12.322 1.00 0.00 C ATOM 160 C LYS A 10 -5.856 -17.212 -13.281 1.00 0.00 C ATOM 161 O LYS A 10 -5.869 -18.249 -13.945 1.00 0.00 O ATOM 162 CB LYS A 10 -4.073 -18.223 -11.872 1.00 0.00 C ATOM 163 CG LYS A 10 -3.161 -18.756 -12.983 1.00 0.00 C ATOM 164 CD LYS A 10 -1.716 -18.309 -12.744 1.00 0.00 C ATOM 165 CE LYS A 10 -0.883 -19.501 -12.271 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.609 -20.213 -11.180 1.00 0.00 N ATOM 0 H LYS A 10 -5.227 -15.146 -11.305 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.965 -16.302 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.498 -18.065 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.846 -18.955 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.212 -19.844 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.506 -18.393 -13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.295 -17.899 -13.662 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.689 -17.514 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.697 -20.181 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.089 -19.160 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.925 -20.708 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.142 -19.525 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.267 -20.903 -11.594 1.00 0.00 H new ATOM 180 N LYS A 11 -6.816 -16.299 -13.345 1.00 0.00 N ATOM 181 CA LYS A 11 -7.964 -16.474 -14.223 1.00 0.00 C ATOM 182 C LYS A 11 -7.773 -15.688 -15.515 1.00 0.00 C ATOM 183 O LYS A 11 -8.718 -15.483 -16.276 1.00 0.00 O ATOM 184 CB LYS A 11 -9.234 -16.003 -13.512 1.00 0.00 C ATOM 185 CG LYS A 11 -9.265 -14.474 -13.480 1.00 0.00 C ATOM 186 CD LYS A 11 -10.121 -14.000 -12.302 1.00 0.00 C ATOM 187 CE LYS A 11 -11.114 -12.943 -12.784 1.00 0.00 C ATOM 188 NZ LYS A 11 -10.435 -12.026 -13.742 1.00 0.00 N ATOM 0 H LYS A 11 -6.823 -15.435 -12.803 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.058 -17.532 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.115 -16.384 -14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.263 -16.399 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.252 -14.082 -13.387 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.671 -14.089 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.655 -14.843 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.485 -13.586 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.967 -13.422 -13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.501 -12.379 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.856 -11.078 -13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.422 -11.972 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.552 -12.387 -14.710 1.00 0.00 H new ATOM 202 N ARG A 12 -6.538 -15.253 -15.757 1.00 0.00 N ATOM 203 CA ARG A 12 -6.229 -14.494 -16.963 1.00 0.00 C ATOM 204 C ARG A 12 -5.996 -15.436 -18.139 1.00 0.00 C ATOM 205 O ARG A 12 -6.815 -16.314 -18.415 1.00 0.00 O ATOM 206 CB ARG A 12 -4.980 -13.640 -16.735 1.00 0.00 C ATOM 207 CG ARG A 12 -4.962 -12.486 -17.740 1.00 0.00 C ATOM 208 CD ARG A 12 -3.516 -12.146 -18.104 1.00 0.00 C ATOM 209 NE ARG A 12 -3.464 -10.897 -18.854 1.00 0.00 N ATOM 210 CZ ARG A 12 -2.434 -10.066 -18.735 1.00 0.00 C ATOM 211 NH1 ARG A 12 -2.414 -8.951 -19.412 1.00 0.00 N ATOM 212 NH2 ARG A 12 -1.441 -10.368 -17.943 1.00 0.00 N ATOM 0 H ARG A 12 -5.742 -15.412 -15.139 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.075 -13.846 -17.192 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.974 -13.250 -15.717 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.084 -14.250 -16.849 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.518 -12.762 -18.636 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.456 -11.612 -17.315 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.916 -12.059 -17.198 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.084 -12.952 -18.696 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.232 -10.657 -19.481 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.189 -8.717 -20.033 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.623 -8.313 -19.321 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.456 -11.241 -17.416 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.650 -9.731 -17.851 1.00 0.00 H new ATOM 226 N LYS A 13 -4.874 -15.252 -18.826 1.00 0.00 N ATOM 227 CA LYS A 13 -4.543 -16.093 -19.970 1.00 0.00 C ATOM 228 C LYS A 13 -3.205 -16.792 -19.751 1.00 0.00 C ATOM 229 O LYS A 13 -2.222 -16.164 -19.358 1.00 0.00 O ATOM 230 CB LYS A 13 -4.477 -15.245 -21.241 1.00 0.00 C ATOM 231 CG LYS A 13 -5.897 -14.919 -21.710 1.00 0.00 C ATOM 232 CD LYS A 13 -5.833 -14.014 -22.941 1.00 0.00 C ATOM 233 CE LYS A 13 -7.229 -13.473 -23.250 1.00 0.00 C ATOM 234 NZ LYS A 13 -8.141 -14.607 -23.571 1.00 0.00 N ATOM 0 H LYS A 13 -4.183 -14.533 -18.613 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.321 -16.848 -20.079 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.926 -14.325 -21.049 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.939 -15.782 -22.022 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.432 -15.838 -21.949 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.451 -14.426 -20.911 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.143 -13.189 -22.763 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.450 -14.572 -23.796 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.612 -12.915 -22.395 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.184 -12.779 -24.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.011 -14.240 -24.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.669 -15.255 -24.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.380 -15.118 -22.697 1.00 0.00 H new ATOM 248 N PHE A 14 -3.177 -18.095 -20.005 1.00 0.00 N ATOM 249 CA PHE A 14 -1.958 -18.874 -19.830 1.00 0.00 C ATOM 250 C PHE A 14 -1.495 -18.818 -18.372 1.00 0.00 C ATOM 251 O PHE A 14 -1.401 -17.737 -17.790 1.00 0.00 O ATOM 252 CB PHE A 14 -0.854 -18.325 -20.737 1.00 0.00 C ATOM 253 CG PHE A 14 -0.929 -18.997 -22.087 1.00 0.00 C ATOM 254 CD1 PHE A 14 -1.920 -18.622 -23.002 1.00 0.00 C ATOM 255 CD2 PHE A 14 -0.007 -19.995 -22.425 1.00 0.00 C ATOM 256 CE1 PHE A 14 -1.989 -19.245 -24.255 1.00 0.00 C ATOM 257 CE2 PHE A 14 -0.076 -20.617 -23.677 1.00 0.00 C ATOM 258 CZ PHE A 14 -1.067 -20.242 -24.592 1.00 0.00 C ATOM 0 H PHE A 14 -3.981 -18.632 -20.331 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.167 -19.910 -20.097 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.964 -17.246 -20.849 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.123 -18.500 -20.286 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.632 -17.852 -22.742 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.758 -20.285 -21.720 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.754 -18.956 -24.961 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.636 -21.387 -23.937 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.120 -20.722 -25.558 1.00 0.00 H new ATOM 268 N PRO A 15 -1.205 -19.948 -17.775 1.00 0.00 N ATOM 269 CA PRO A 15 -0.744 -20.011 -16.358 1.00 0.00 C ATOM 270 C PRO A 15 0.713 -19.579 -16.208 1.00 0.00 C ATOM 271 O PRO A 15 1.500 -19.683 -17.149 1.00 0.00 O ATOM 272 CB PRO A 15 -0.917 -21.484 -15.990 1.00 0.00 C ATOM 273 CG PRO A 15 -0.785 -22.227 -17.278 1.00 0.00 C ATOM 274 CD PRO A 15 -1.284 -21.290 -18.380 1.00 0.00 C ATOM 0 HA PRO A 15 -1.306 -19.336 -15.712 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.161 -21.802 -15.273 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.889 -21.663 -15.530 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.252 -22.514 -17.454 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.371 -23.146 -17.257 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.665 -21.361 -19.274 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.304 -21.533 -18.678 1.00 0.00 H new ATOM 282 N TYR A 16 1.065 -19.098 -15.020 1.00 0.00 N ATOM 283 CA TYR A 16 2.433 -18.657 -14.762 1.00 0.00 C ATOM 284 C TYR A 16 2.956 -19.250 -13.459 1.00 0.00 C ATOM 285 O TYR A 16 4.123 -19.069 -13.113 1.00 0.00 O ATOM 286 CB TYR A 16 2.488 -17.130 -14.679 1.00 0.00 C ATOM 287 CG TYR A 16 3.013 -16.570 -15.980 1.00 0.00 C ATOM 288 CD1 TYR A 16 4.343 -16.142 -16.070 1.00 0.00 C ATOM 289 CD2 TYR A 16 2.171 -16.477 -17.095 1.00 0.00 C ATOM 290 CE1 TYR A 16 4.831 -15.620 -17.274 1.00 0.00 C ATOM 291 CE2 TYR A 16 2.660 -15.955 -18.299 1.00 0.00 C ATOM 292 CZ TYR A 16 3.989 -15.526 -18.389 1.00 0.00 C ATOM 293 OH TYR A 16 4.471 -15.011 -19.575 1.00 0.00 O ATOM 0 H TYR A 16 0.430 -19.004 -14.227 1.00 0.00 H new ATOM 0 HA TYR A 16 3.059 -19.002 -15.585 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.495 -16.731 -14.474 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.131 -16.824 -13.854 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.993 -16.215 -15.210 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.145 -16.808 -17.026 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.857 -15.290 -17.343 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.011 -15.883 -19.159 1.00 0.00 H new ATOM 0 HH TYR A 16 3.759 -15.017 -20.248 1.00 0.00 H new ATOM 303 N LYS A 17 2.090 -19.956 -12.740 1.00 0.00 N ATOM 304 CA LYS A 17 2.485 -20.565 -11.477 1.00 0.00 C ATOM 305 C LYS A 17 2.925 -19.493 -10.485 1.00 0.00 C ATOM 306 O LYS A 17 2.262 -19.258 -9.475 1.00 0.00 O ATOM 307 CB LYS A 17 3.631 -21.552 -11.709 1.00 0.00 C ATOM 308 CG LYS A 17 3.313 -22.435 -12.919 1.00 0.00 C ATOM 309 CD LYS A 17 3.240 -23.901 -12.483 1.00 0.00 C ATOM 310 CE LYS A 17 3.341 -24.807 -13.711 1.00 0.00 C ATOM 311 NZ LYS A 17 2.234 -25.804 -13.688 1.00 0.00 N ATOM 0 H LYS A 17 1.119 -20.119 -13.007 1.00 0.00 H new ATOM 0 HA LYS A 17 1.628 -21.097 -11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.562 -21.011 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.776 -22.170 -10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.366 -22.131 -13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.080 -22.311 -13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.048 -24.124 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.304 -24.088 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.288 -24.210 -14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.304 -25.318 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.304 -26.419 -14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.305 -26.381 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.320 -25.308 -13.699 1.00 0.00 H new ATOM 325 N SER A 18 4.046 -18.843 -10.783 1.00 0.00 N ATOM 326 CA SER A 18 4.564 -17.793 -9.914 1.00 0.00 C ATOM 327 C SER A 18 3.556 -16.654 -9.797 1.00 0.00 C ATOM 328 O SER A 18 3.190 -16.245 -8.695 1.00 0.00 O ATOM 329 CB SER A 18 5.881 -17.256 -10.472 1.00 0.00 C ATOM 330 OG SER A 18 6.609 -16.618 -9.431 1.00 0.00 O ATOM 0 H SER A 18 4.609 -19.023 -11.614 1.00 0.00 H new ATOM 0 HA SER A 18 4.736 -18.216 -8.924 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.469 -18.071 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.686 -16.551 -11.280 1.00 0.00 H new ATOM 0 HG SER A 18 7.455 -16.274 -9.787 1.00 0.00 H new ATOM 336 N GLU A 19 3.111 -16.147 -10.944 1.00 0.00 N ATOM 337 CA GLU A 19 2.145 -15.056 -10.961 1.00 0.00 C ATOM 338 C GLU A 19 1.074 -15.275 -9.896 1.00 0.00 C ATOM 339 O GLU A 19 0.506 -14.319 -9.369 1.00 0.00 O ATOM 340 CB GLU A 19 1.490 -14.962 -12.340 1.00 0.00 C ATOM 341 CG GLU A 19 0.740 -13.636 -12.465 1.00 0.00 C ATOM 342 CD GLU A 19 1.730 -12.493 -12.653 1.00 0.00 C ATOM 343 OE1 GLU A 19 2.921 -12.743 -12.558 1.00 0.00 O ATOM 344 OE2 GLU A 19 1.284 -11.382 -12.891 1.00 0.00 O ATOM 0 H GLU A 19 3.402 -16.472 -11.866 1.00 0.00 H new ATOM 0 HA GLU A 19 2.669 -14.125 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.248 -15.037 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.802 -15.795 -12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.053 -13.676 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.138 -13.464 -11.573 1.00 0.00 H new ATOM 351 N CYS A 20 0.808 -16.539 -9.582 1.00 0.00 N ATOM 352 CA CYS A 20 -0.193 -16.868 -8.570 1.00 0.00 C ATOM 353 C CYS A 20 0.450 -16.937 -7.192 1.00 0.00 C ATOM 354 O CYS A 20 -0.047 -16.348 -6.233 1.00 0.00 O ATOM 355 CB CYS A 20 -0.848 -18.213 -8.895 1.00 0.00 C ATOM 356 SG CYS A 20 -2.532 -18.243 -8.231 1.00 0.00 S ATOM 0 H CYS A 20 1.265 -17.345 -10.008 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.953 -16.087 -8.570 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.869 -18.368 -9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.263 -19.027 -8.467 1.00 0.00 H new ATOM 361 N LEU A 21 1.563 -17.656 -7.103 1.00 0.00 N ATOM 362 CA LEU A 21 2.268 -17.787 -5.836 1.00 0.00 C ATOM 363 C LEU A 21 2.781 -16.426 -5.378 1.00 0.00 C ATOM 364 O LEU A 21 3.076 -16.228 -4.202 1.00 0.00 O ATOM 365 CB LEU A 21 3.442 -18.756 -5.987 1.00 0.00 C ATOM 366 CG LEU A 21 4.298 -18.721 -4.721 1.00 0.00 C ATOM 367 CD1 LEU A 21 3.443 -19.137 -3.524 1.00 0.00 C ATOM 368 CD2 LEU A 21 5.475 -19.687 -4.869 1.00 0.00 C ATOM 0 H LEU A 21 1.992 -18.152 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 21 1.576 -18.177 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.073 -19.767 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.044 -18.482 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 21 4.679 -17.712 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.049 -19.114 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.605 -18.448 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.064 -20.147 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.084 -19.660 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.099 -20.698 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.083 -19.392 -5.724 1.00 0.00 H new ATOM 380 N LYS A 22 2.878 -15.489 -6.316 1.00 0.00 N ATOM 381 CA LYS A 22 3.349 -14.148 -5.987 1.00 0.00 C ATOM 382 C LYS A 22 2.283 -13.408 -5.190 1.00 0.00 C ATOM 383 O LYS A 22 2.589 -12.697 -4.234 1.00 0.00 O ATOM 384 CB LYS A 22 3.666 -13.367 -7.263 1.00 0.00 C ATOM 385 CG LYS A 22 4.711 -12.290 -6.956 1.00 0.00 C ATOM 386 CD LYS A 22 4.289 -10.967 -7.598 1.00 0.00 C ATOM 387 CE LYS A 22 5.269 -9.866 -7.187 1.00 0.00 C ATOM 388 NZ LYS A 22 4.676 -9.057 -6.085 1.00 0.00 N ATOM 0 H LYS A 22 2.640 -15.630 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 22 4.257 -14.234 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.040 -14.043 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.759 -12.907 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.814 -12.166 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.686 -12.596 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.271 -11.066 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.278 -10.705 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.212 -10.306 -6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.493 -9.227 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.342 -8.309 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.788 -8.625 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.484 -9.671 -5.268 1.00 0.00 H new ATOM 402 N ALA A 23 1.029 -13.595 -5.588 1.00 0.00 N ATOM 403 CA ALA A 23 -0.084 -12.953 -4.902 1.00 0.00 C ATOM 404 C ALA A 23 -0.144 -13.438 -3.459 1.00 0.00 C ATOM 405 O ALA A 23 -0.703 -12.771 -2.588 1.00 0.00 O ATOM 406 CB ALA A 23 -1.398 -13.277 -5.614 1.00 0.00 C ATOM 0 H ALA A 23 0.760 -14.182 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 23 0.066 -11.873 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.223 -12.792 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.354 -12.914 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.554 -14.356 -5.616 1.00 0.00 H new ATOM 412 N CYS A 24 0.444 -14.605 -3.219 1.00 0.00 N ATOM 413 CA CYS A 24 0.465 -15.180 -1.882 1.00 0.00 C ATOM 414 C CYS A 24 1.278 -14.302 -0.941 1.00 0.00 C ATOM 415 O CYS A 24 0.831 -13.959 0.152 1.00 0.00 O ATOM 416 CB CYS A 24 1.080 -16.579 -1.930 1.00 0.00 C ATOM 417 SG CYS A 24 -0.139 -17.796 -1.388 1.00 0.00 S ATOM 0 H CYS A 24 0.910 -15.168 -3.930 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.559 -15.243 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.411 -16.807 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.961 -16.622 -1.290 1.00 0.00 H new ATOM 422 N ALA A 25 2.478 -13.937 -1.371 1.00 0.00 N ATOM 423 CA ALA A 25 3.335 -13.095 -0.550 1.00 0.00 C ATOM 424 C ALA A 25 2.601 -11.816 -0.177 1.00 0.00 C ATOM 425 O ALA A 25 2.859 -11.218 0.867 1.00 0.00 O ATOM 426 CB ALA A 25 4.617 -12.748 -1.309 1.00 0.00 C ATOM 0 H ALA A 25 2.876 -14.206 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 25 3.595 -13.640 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.250 -12.118 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.151 -13.665 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.364 -12.214 -2.225 1.00 0.00 H new ATOM 432 N THR A 26 1.686 -11.402 -1.046 1.00 0.00 N ATOM 433 CA THR A 26 0.914 -10.188 -0.814 1.00 0.00 C ATOM 434 C THR A 26 -0.442 -10.502 -0.184 1.00 0.00 C ATOM 435 O THR A 26 -1.089 -9.615 0.375 1.00 0.00 O ATOM 436 CB THR A 26 0.701 -9.452 -2.139 1.00 0.00 C ATOM 437 OG1 THR A 26 1.952 -9.287 -2.793 1.00 0.00 O ATOM 438 CG2 THR A 26 0.080 -8.082 -1.868 1.00 0.00 C ATOM 0 H THR A 26 1.461 -11.887 -1.915 1.00 0.00 H new ATOM 0 HA THR A 26 1.475 -9.559 -0.123 1.00 0.00 H new ATOM 0 HB THR A 26 0.032 -10.032 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.818 -8.817 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.072 -7.558 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.879 -8.210 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.747 -7.499 -1.233 1.00 0.00 H new ATOM 446 N SER A 27 -0.877 -11.757 -0.280 1.00 0.00 N ATOM 447 CA SER A 27 -2.169 -12.139 0.286 1.00 0.00 C ATOM 448 C SER A 27 -2.323 -11.576 1.695 1.00 0.00 C ATOM 449 O SER A 27 -3.354 -10.994 2.032 1.00 0.00 O ATOM 450 CB SER A 27 -2.312 -13.662 0.320 1.00 0.00 C ATOM 451 OG SER A 27 -2.875 -14.052 1.566 1.00 0.00 O ATOM 0 H SER A 27 -0.366 -12.513 -0.735 1.00 0.00 H new ATOM 0 HA SER A 27 -2.952 -11.725 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.947 -13.998 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.339 -14.134 0.184 1.00 0.00 H new ATOM 0 HG SER A 27 -2.970 -15.027 1.591 1.00 0.00 H new ATOM 457 N PHE A 28 -1.290 -11.747 2.514 1.00 0.00 N ATOM 458 CA PHE A 28 -1.323 -11.244 3.882 1.00 0.00 C ATOM 459 C PHE A 28 -1.156 -9.728 3.896 1.00 0.00 C ATOM 460 O PHE A 28 -1.960 -9.010 4.490 1.00 0.00 O ATOM 461 CB PHE A 28 -0.206 -11.891 4.704 1.00 0.00 C ATOM 462 CG PHE A 28 -0.716 -12.201 6.092 1.00 0.00 C ATOM 463 CD1 PHE A 28 -0.108 -11.614 7.207 1.00 0.00 C ATOM 464 CD2 PHE A 28 -1.794 -13.077 6.261 1.00 0.00 C ATOM 465 CE1 PHE A 28 -0.581 -11.903 8.494 1.00 0.00 C ATOM 466 CE2 PHE A 28 -2.266 -13.366 7.547 1.00 0.00 C ATOM 467 CZ PHE A 28 -1.659 -12.778 8.663 1.00 0.00 C ATOM 0 H PHE A 28 -0.427 -12.226 2.257 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.288 -11.497 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.135 -12.805 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.652 -11.221 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.725 -10.939 7.076 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.262 -13.530 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.113 -11.450 9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.098 -14.042 7.678 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.023 -13.000 9.655 1.00 0.00 H new ATOM 477 N THR A 29 -0.107 -9.248 3.236 1.00 0.00 N ATOM 478 CA THR A 29 0.158 -7.814 3.176 1.00 0.00 C ATOM 479 C THR A 29 1.246 -7.515 2.150 1.00 0.00 C ATOM 480 O THR A 29 0.956 -7.149 1.011 1.00 0.00 O ATOM 481 CB THR A 29 0.598 -7.308 4.551 1.00 0.00 C ATOM 482 OG1 THR A 29 -0.503 -7.364 5.449 1.00 0.00 O ATOM 483 CG2 THR A 29 1.090 -5.864 4.434 1.00 0.00 C ATOM 0 H THR A 29 0.570 -9.826 2.738 1.00 0.00 H new ATOM 0 HA THR A 29 -0.758 -7.305 2.877 1.00 0.00 H new ATOM 0 HB THR A 29 1.407 -7.935 4.927 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.324 -7.556 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.403 -5.506 5.415 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.934 -5.822 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.284 -5.234 4.058 1.00 0.00 H new ATOM 491 N GLY A 30 2.499 -7.671 2.564 1.00 0.00 N ATOM 492 CA GLY A 30 3.625 -7.415 1.675 1.00 0.00 C ATOM 493 C GLY A 30 4.948 -7.584 2.412 1.00 0.00 C ATOM 494 O GLY A 30 5.243 -6.850 3.356 1.00 0.00 O ATOM 0 H GLY A 30 2.759 -7.972 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.587 -8.098 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.554 -6.404 1.273 1.00 0.00 H new ATOM 498 N GLY A 31 5.743 -8.557 1.977 1.00 0.00 N ATOM 499 CA GLY A 31 7.035 -8.814 2.604 1.00 0.00 C ATOM 500 C GLY A 31 7.845 -9.817 1.791 1.00 0.00 C ATOM 501 O GLY A 31 8.118 -9.598 0.611 1.00 0.00 O ATOM 0 H GLY A 31 5.518 -9.176 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.591 -7.881 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.884 -9.196 3.614 1.00 0.00 H new ATOM 505 N ASP A 32 8.229 -10.918 2.430 1.00 0.00 N ATOM 506 CA ASP A 32 9.010 -11.949 1.755 1.00 0.00 C ATOM 507 C ASP A 32 9.150 -13.182 2.643 1.00 0.00 C ATOM 508 O ASP A 32 9.421 -13.071 3.839 1.00 0.00 O ATOM 509 CB ASP A 32 10.398 -11.407 1.407 1.00 0.00 C ATOM 510 CG ASP A 32 10.805 -11.874 0.014 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.033 -11.023 -0.831 1.00 0.00 O ATOM 512 OD2 ASP A 32 10.883 -13.074 -0.189 1.00 0.00 O ATOM 0 H ASP A 32 8.014 -11.118 3.407 1.00 0.00 H new ATOM 0 HA ASP A 32 8.491 -12.232 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.393 -10.318 1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.126 -11.750 2.142 1.00 0.00 H new ATOM 517 N GLU A 33 8.965 -14.357 2.049 1.00 0.00 N ATOM 518 CA GLU A 33 9.074 -15.606 2.796 1.00 0.00 C ATOM 519 C GLU A 33 8.078 -15.631 3.949 1.00 0.00 C ATOM 520 O GLU A 33 6.991 -16.196 3.825 1.00 0.00 O ATOM 521 CB GLU A 33 10.495 -15.768 3.340 1.00 0.00 C ATOM 522 CG GLU A 33 11.482 -15.882 2.175 1.00 0.00 C ATOM 523 CD GLU A 33 12.426 -14.685 2.174 1.00 0.00 C ATOM 524 OE1 GLU A 33 13.119 -14.499 3.161 1.00 0.00 O ATOM 525 OE2 GLU A 33 12.445 -13.971 1.183 1.00 0.00 O ATOM 0 H GLU A 33 8.741 -14.471 1.061 1.00 0.00 H new ATOM 0 HA GLU A 33 8.849 -16.431 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.754 -14.915 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.555 -16.656 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.053 -16.806 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.939 -15.929 1.231 1.00 0.00 H new ATOM 532 N SER A 34 8.454 -15.018 5.067 1.00 0.00 N ATOM 533 CA SER A 34 7.580 -14.980 6.233 1.00 0.00 C ATOM 534 C SER A 34 6.119 -15.055 5.801 1.00 0.00 C ATOM 535 O SER A 34 5.713 -14.385 4.855 1.00 0.00 O ATOM 536 CB SER A 34 7.817 -13.693 7.023 1.00 0.00 C ATOM 537 OG SER A 34 7.573 -13.938 8.403 1.00 0.00 O ATOM 0 H SER A 34 9.349 -14.545 5.190 1.00 0.00 H new ATOM 0 HA SER A 34 7.807 -15.838 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.840 -13.347 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.159 -12.903 6.660 1.00 0.00 H new ATOM 0 HG SER A 34 7.726 -13.115 8.913 1.00 0.00 H new ATOM 543 N ARG A 35 5.344 -15.885 6.495 1.00 0.00 N ATOM 544 CA ARG A 35 3.933 -16.059 6.178 1.00 0.00 C ATOM 545 C ARG A 35 3.780 -17.010 5.000 1.00 0.00 C ATOM 546 O ARG A 35 2.674 -17.442 4.675 1.00 0.00 O ATOM 547 CB ARG A 35 3.274 -14.715 5.854 1.00 0.00 C ATOM 548 CG ARG A 35 3.711 -13.656 6.872 1.00 0.00 C ATOM 549 CD ARG A 35 4.021 -12.344 6.148 1.00 0.00 C ATOM 550 NE ARG A 35 4.193 -11.266 7.114 1.00 0.00 N ATOM 551 CZ ARG A 35 4.951 -10.210 6.840 1.00 0.00 C ATOM 552 NH1 ARG A 35 5.092 -9.261 7.725 1.00 0.00 N ATOM 553 NH2 ARG A 35 5.555 -10.120 5.687 1.00 0.00 N ATOM 0 H ARG A 35 5.672 -16.447 7.281 1.00 0.00 H new ATOM 0 HA ARG A 35 3.435 -16.482 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.549 -14.399 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.189 -14.820 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.923 -13.499 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.591 -14.000 7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.926 -12.455 5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.212 -12.100 5.459 1.00 0.00 H new ATOM 0 HE ARG A 35 3.723 -11.324 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.620 -9.330 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.674 -8.450 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.445 -10.861 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.137 -9.309 5.478 1.00 0.00 H new ATOM 567 N ILE A 36 4.902 -17.343 4.371 1.00 0.00 N ATOM 568 CA ILE A 36 4.885 -18.257 3.240 1.00 0.00 C ATOM 569 C ILE A 36 6.132 -19.134 3.251 1.00 0.00 C ATOM 570 O ILE A 36 6.077 -20.306 3.619 1.00 0.00 O ATOM 571 CB ILE A 36 4.823 -17.485 1.919 1.00 0.00 C ATOM 572 CG1 ILE A 36 4.190 -16.102 2.133 1.00 0.00 C ATOM 573 CG2 ILE A 36 3.986 -18.277 0.918 1.00 0.00 C ATOM 574 CD1 ILE A 36 2.691 -16.246 2.412 1.00 0.00 C ATOM 0 H ILE A 36 5.827 -16.996 4.624 1.00 0.00 H new ATOM 0 HA ILE A 36 3.998 -18.884 3.327 1.00 0.00 H new ATOM 0 HB ILE A 36 5.835 -17.350 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.676 -15.596 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.345 -15.482 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.937 -17.734 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.444 -19.252 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.979 -18.412 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.252 -15.259 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.208 -16.733 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.544 -16.849 3.308 1.00 0.00 H new ATOM 586 N GLN A 37 7.257 -18.560 2.850 1.00 0.00 N ATOM 587 CA GLN A 37 8.507 -19.304 2.818 1.00 0.00 C ATOM 588 C GLN A 37 8.453 -20.391 1.746 1.00 0.00 C ATOM 589 O GLN A 37 9.391 -20.551 0.966 1.00 0.00 O ATOM 590 CB GLN A 37 8.765 -19.935 4.184 1.00 0.00 C ATOM 591 CG GLN A 37 10.258 -20.215 4.349 1.00 0.00 C ATOM 592 CD GLN A 37 10.633 -21.497 3.613 1.00 0.00 C ATOM 593 OE1 GLN A 37 9.769 -22.328 3.334 1.00 0.00 O ATOM 594 NE2 GLN A 37 11.876 -21.707 3.277 1.00 0.00 N ATOM 0 H GLN A 37 7.330 -17.590 2.545 1.00 0.00 H new ATOM 0 HA GLN A 37 9.319 -18.617 2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.421 -19.268 4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.199 -20.861 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.838 -19.379 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.504 -20.308 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.591 -21.017 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.133 -22.561 2.782 1.00 0.00 H new ATOM 603 N GLU A 38 7.346 -21.130 1.706 1.00 0.00 N ATOM 604 CA GLU A 38 7.184 -22.188 0.717 1.00 0.00 C ATOM 605 C GLU A 38 5.730 -22.285 0.285 1.00 0.00 C ATOM 606 O GLU A 38 4.821 -22.226 1.114 1.00 0.00 O ATOM 607 CB GLU A 38 7.630 -23.529 1.297 1.00 0.00 C ATOM 608 CG GLU A 38 6.928 -23.768 2.635 1.00 0.00 C ATOM 609 CD GLU A 38 7.641 -24.872 3.407 1.00 0.00 C ATOM 610 OE1 GLU A 38 7.235 -25.142 4.526 1.00 0.00 O ATOM 611 OE2 GLU A 38 8.582 -25.433 2.869 1.00 0.00 O ATOM 0 H GLU A 38 6.556 -21.016 2.341 1.00 0.00 H new ATOM 0 HA GLU A 38 7.802 -21.947 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.393 -24.334 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.711 -23.535 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.921 -22.849 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.888 -24.045 2.465 1.00 0.00 H new ATOM 618 N GLY A 39 5.512 -22.432 -1.014 1.00 0.00 N ATOM 619 CA GLY A 39 4.156 -22.534 -1.530 1.00 0.00 C ATOM 620 C GLY A 39 4.124 -23.175 -2.911 1.00 0.00 C ATOM 621 O GLY A 39 5.120 -23.180 -3.634 1.00 0.00 O ATOM 0 H GLY A 39 6.246 -22.483 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.548 -23.122 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.710 -21.541 -1.580 1.00 0.00 H new ATOM 625 N LYS A 40 2.963 -23.714 -3.264 1.00 0.00 N ATOM 626 CA LYS A 40 2.787 -24.362 -4.560 1.00 0.00 C ATOM 627 C LYS A 40 1.856 -23.535 -5.448 1.00 0.00 C ATOM 628 O LYS A 40 1.169 -22.636 -4.962 1.00 0.00 O ATOM 629 CB LYS A 40 2.196 -25.759 -4.363 1.00 0.00 C ATOM 630 CG LYS A 40 3.289 -26.811 -4.562 1.00 0.00 C ATOM 631 CD LYS A 40 2.875 -28.118 -3.880 1.00 0.00 C ATOM 632 CE LYS A 40 2.919 -29.262 -4.893 1.00 0.00 C ATOM 633 NZ LYS A 40 2.777 -30.563 -4.179 1.00 0.00 N ATOM 0 H LYS A 40 2.131 -23.716 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 40 3.760 -24.441 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.770 -25.847 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.384 -25.925 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.455 -26.981 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.231 -26.454 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.543 -28.332 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.871 -28.022 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.118 -29.146 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.859 -29.238 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.807 -31.342 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.556 -30.672 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.869 -30.584 -3.672 1.00 0.00 H new ATOM 647 N PRO A 41 1.815 -23.815 -6.728 1.00 0.00 N ATOM 648 CA PRO A 41 0.950 -23.088 -7.689 1.00 0.00 C ATOM 649 C PRO A 41 -0.361 -23.819 -7.958 1.00 0.00 C ATOM 650 O PRO A 41 -0.514 -24.992 -7.620 1.00 0.00 O ATOM 651 CB PRO A 41 1.812 -23.092 -8.939 1.00 0.00 C ATOM 652 CG PRO A 41 2.487 -24.427 -8.912 1.00 0.00 C ATOM 653 CD PRO A 41 2.595 -24.847 -7.434 1.00 0.00 C ATOM 0 HA PRO A 41 0.655 -22.101 -7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.210 -22.968 -9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.537 -22.278 -8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.915 -25.160 -9.480 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.475 -24.369 -9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.186 -25.844 -7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.631 -24.868 -7.097 1.00 0.00 H new ATOM 661 N GLY A 42 -1.302 -23.114 -8.572 1.00 0.00 N ATOM 662 CA GLY A 42 -2.600 -23.698 -8.888 1.00 0.00 C ATOM 663 C GLY A 42 -3.307 -22.894 -9.974 1.00 0.00 C ATOM 664 O GLY A 42 -3.194 -21.670 -10.026 1.00 0.00 O ATOM 0 H GLY A 42 -1.193 -22.142 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.469 -24.728 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.218 -23.728 -7.991 1.00 0.00 H new ATOM 668 N PHE A 43 -4.041 -23.588 -10.838 1.00 0.00 N ATOM 669 CA PHE A 43 -4.765 -22.921 -11.914 1.00 0.00 C ATOM 670 C PHE A 43 -6.008 -22.231 -11.362 1.00 0.00 C ATOM 671 O PHE A 43 -6.930 -22.889 -10.879 1.00 0.00 O ATOM 672 CB PHE A 43 -5.171 -23.935 -12.984 1.00 0.00 C ATOM 673 CG PHE A 43 -5.723 -25.173 -12.321 1.00 0.00 C ATOM 674 CD1 PHE A 43 -4.868 -26.231 -11.991 1.00 0.00 C ATOM 675 CD2 PHE A 43 -7.091 -25.265 -12.038 1.00 0.00 C ATOM 676 CE1 PHE A 43 -5.380 -27.380 -11.377 1.00 0.00 C ATOM 677 CE2 PHE A 43 -7.604 -26.415 -11.424 1.00 0.00 C ATOM 678 CZ PHE A 43 -6.749 -27.472 -11.094 1.00 0.00 C ATOM 0 H PHE A 43 -4.150 -24.602 -10.815 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.111 -22.173 -12.362 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.919 -23.500 -13.647 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.310 -24.193 -13.601 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.813 -26.161 -12.210 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.751 -24.449 -12.293 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.720 -28.196 -11.121 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.659 -26.486 -11.205 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.144 -28.359 -10.621 1.00 0.00 H new ATOM 688 N PHE A 44 -6.023 -20.905 -11.431 1.00 0.00 N ATOM 689 CA PHE A 44 -7.157 -20.140 -10.925 1.00 0.00 C ATOM 690 C PHE A 44 -7.056 -19.991 -9.410 1.00 0.00 C ATOM 691 O PHE A 44 -8.070 -19.896 -8.718 1.00 0.00 O ATOM 692 CB PHE A 44 -8.464 -20.854 -11.282 1.00 0.00 C ATOM 693 CG PHE A 44 -9.479 -19.846 -11.765 1.00 0.00 C ATOM 694 CD1 PHE A 44 -10.233 -19.115 -10.839 1.00 0.00 C ATOM 695 CD2 PHE A 44 -9.671 -19.648 -13.136 1.00 0.00 C ATOM 696 CE1 PHE A 44 -11.177 -18.184 -11.286 1.00 0.00 C ATOM 697 CE2 PHE A 44 -10.616 -18.718 -13.583 1.00 0.00 C ATOM 698 CZ PHE A 44 -11.369 -17.985 -12.659 1.00 0.00 C ATOM 0 H PHE A 44 -5.271 -20.342 -11.828 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.146 -19.151 -11.382 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.282 -21.601 -12.055 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.850 -21.384 -10.411 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.086 -19.270 -9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.090 -20.213 -13.850 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.758 -17.619 -10.572 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.764 -18.566 -14.642 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.098 -17.266 -13.004 1.00 0.00 H new ATOM 708 N LYS A 45 -5.824 -19.971 -8.908 1.00 0.00 N ATOM 709 CA LYS A 45 -5.580 -19.838 -7.478 1.00 0.00 C ATOM 710 C LYS A 45 -4.173 -20.315 -7.141 1.00 0.00 C ATOM 711 O LYS A 45 -3.481 -20.881 -7.985 1.00 0.00 O ATOM 712 CB LYS A 45 -6.593 -20.669 -6.687 1.00 0.00 C ATOM 713 CG LYS A 45 -6.831 -22.006 -7.394 1.00 0.00 C ATOM 714 CD LYS A 45 -7.022 -23.109 -6.351 1.00 0.00 C ATOM 715 CE LYS A 45 -5.660 -23.550 -5.814 1.00 0.00 C ATOM 716 NZ LYS A 45 -5.789 -24.885 -5.167 1.00 0.00 N ATOM 0 H LYS A 45 -4.978 -20.046 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.685 -18.787 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.225 -20.842 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.532 -20.123 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.711 -21.939 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.985 -22.244 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.646 -22.747 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.541 -23.958 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.935 -23.596 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.287 -22.820 -5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.863 -25.185 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.468 -24.826 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.127 -25.578 -5.865 1.00 0.00 H new ATOM 730 N CYS A 46 -3.755 -20.089 -5.902 1.00 0.00 N ATOM 731 CA CYS A 46 -2.427 -20.508 -5.472 1.00 0.00 C ATOM 732 C CYS A 46 -2.459 -20.962 -4.014 1.00 0.00 C ATOM 733 O CYS A 46 -2.982 -20.260 -3.148 1.00 0.00 O ATOM 734 CB CYS A 46 -1.434 -19.354 -5.634 1.00 0.00 C ATOM 735 SG CYS A 46 -2.300 -17.891 -6.254 1.00 0.00 S ATOM 0 H CYS A 46 -4.309 -19.623 -5.184 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.108 -21.344 -6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.961 -19.131 -4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.640 -19.639 -6.324 1.00 0.00 H new ATOM 740 N THR A 47 -1.895 -22.137 -3.748 1.00 0.00 N ATOM 741 CA THR A 47 -1.866 -22.667 -2.389 1.00 0.00 C ATOM 742 C THR A 47 -0.471 -22.525 -1.801 1.00 0.00 C ATOM 743 O THR A 47 0.504 -23.034 -2.355 1.00 0.00 O ATOM 744 CB THR A 47 -2.280 -24.140 -2.379 1.00 0.00 C ATOM 745 OG1 THR A 47 -1.759 -24.788 -3.530 1.00 0.00 O ATOM 746 CG2 THR A 47 -3.806 -24.244 -2.377 1.00 0.00 C ATOM 0 H THR A 47 -1.456 -22.735 -4.448 1.00 0.00 H new ATOM 0 HA THR A 47 -2.571 -22.098 -1.784 1.00 0.00 H new ATOM 0 HB THR A 47 -1.885 -24.621 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.821 -24.532 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.099 -25.294 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.203 -23.750 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.205 -23.762 -3.270 1.00 0.00 H new ATOM 754 N CYS A 48 -0.380 -21.823 -0.678 1.00 0.00 N ATOM 755 CA CYS A 48 0.905 -21.612 -0.032 1.00 0.00 C ATOM 756 C CYS A 48 0.833 -21.942 1.452 1.00 0.00 C ATOM 757 O CYS A 48 -0.251 -22.052 2.026 1.00 0.00 O ATOM 758 CB CYS A 48 1.338 -20.160 -0.215 1.00 0.00 C ATOM 759 SG CYS A 48 0.735 -19.566 -1.813 1.00 0.00 S ATOM 0 H CYS A 48 -1.174 -21.395 -0.201 1.00 0.00 H new ATOM 0 HA CYS A 48 1.635 -22.276 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.940 -19.543 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.424 -20.082 -0.169 1.00 0.00 H new ATOM 764 N TYR A 49 2.000 -22.106 2.065 1.00 0.00 N ATOM 765 CA TYR A 49 2.068 -22.431 3.484 1.00 0.00 C ATOM 766 C TYR A 49 3.085 -21.541 4.186 1.00 0.00 C ATOM 767 O TYR A 49 4.067 -21.122 3.580 1.00 0.00 O ATOM 768 CB TYR A 49 2.471 -23.895 3.654 1.00 0.00 C ATOM 769 CG TYR A 49 1.946 -24.694 2.485 1.00 0.00 C ATOM 770 CD1 TYR A 49 2.839 -25.318 1.607 1.00 0.00 C ATOM 771 CD2 TYR A 49 0.565 -24.807 2.277 1.00 0.00 C ATOM 772 CE1 TYR A 49 2.354 -26.056 0.520 1.00 0.00 C ATOM 773 CE2 TYR A 49 0.080 -25.546 1.191 1.00 0.00 C ATOM 774 CZ TYR A 49 0.974 -26.169 0.312 1.00 0.00 C ATOM 775 OH TYR A 49 0.496 -26.896 -0.759 1.00 0.00 O ATOM 0 H TYR A 49 2.906 -22.020 1.605 1.00 0.00 H new ATOM 0 HA TYR A 49 1.087 -22.264 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.556 -23.982 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.070 -24.289 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.903 -25.230 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.125 -24.325 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.044 -26.538 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.984 -25.635 1.031 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.484 -26.875 -0.757 1.00 0.00 H new ATOM 785 N PHE A 50 2.853 -21.263 5.467 1.00 0.00 N ATOM 786 CA PHE A 50 3.776 -20.428 6.231 1.00 0.00 C ATOM 787 C PHE A 50 4.654 -21.298 7.120 1.00 0.00 C ATOM 788 O PHE A 50 4.231 -21.727 8.194 1.00 0.00 O ATOM 789 CB PHE A 50 3.002 -19.433 7.099 1.00 0.00 C ATOM 790 CG PHE A 50 3.888 -18.926 8.214 1.00 0.00 C ATOM 791 CD1 PHE A 50 3.333 -18.632 9.465 1.00 0.00 C ATOM 792 CD2 PHE A 50 5.261 -18.747 7.999 1.00 0.00 C ATOM 793 CE1 PHE A 50 4.150 -18.160 10.501 1.00 0.00 C ATOM 794 CE2 PHE A 50 6.077 -18.276 9.034 1.00 0.00 C ATOM 795 CZ PHE A 50 5.521 -17.983 10.285 1.00 0.00 C ATOM 0 H PHE A 50 2.045 -21.598 5.992 1.00 0.00 H new ATOM 0 HA PHE A 50 4.403 -19.877 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.656 -18.598 6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.116 -19.913 7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.275 -18.769 9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.690 -18.973 7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.722 -17.933 11.466 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.135 -18.139 8.868 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.151 -17.620 11.084 1.00 0.00 H new ATOM 805 N THR A 51 5.874 -21.558 6.668 1.00 0.00 N ATOM 806 CA THR A 51 6.795 -22.385 7.444 1.00 0.00 C ATOM 807 C THR A 51 6.516 -22.234 8.936 1.00 0.00 C ATOM 808 O THR A 51 7.017 -21.314 9.582 1.00 0.00 O ATOM 809 CB THR A 51 8.243 -21.982 7.153 1.00 0.00 C ATOM 810 OG1 THR A 51 8.271 -20.659 6.639 1.00 0.00 O ATOM 811 CG2 THR A 51 8.846 -22.945 6.127 1.00 0.00 C ATOM 0 H THR A 51 6.247 -21.215 5.782 1.00 0.00 H new ATOM 0 HA THR A 51 6.646 -23.426 7.156 1.00 0.00 H new ATOM 0 HB THR A 51 8.825 -22.025 8.074 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.033 -20.176 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.877 -22.658 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.825 -23.960 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.266 -22.904 5.205 1.00 0.00 H new ATOM 819 N THR A 52 5.710 -23.144 9.477 1.00 0.00 N ATOM 820 CA THR A 52 5.367 -23.100 10.894 1.00 0.00 C ATOM 821 C THR A 52 5.470 -24.489 11.517 1.00 0.00 C ATOM 822 O THR A 52 4.732 -25.402 11.148 1.00 0.00 O ATOM 823 CB THR A 52 3.944 -22.565 11.072 1.00 0.00 C ATOM 824 OG1 THR A 52 3.157 -22.938 9.949 1.00 0.00 O ATOM 825 CG2 THR A 52 3.981 -21.041 11.189 1.00 0.00 C ATOM 0 H THR A 52 5.286 -23.914 8.960 1.00 0.00 H new ATOM 0 HA THR A 52 6.071 -22.436 11.396 1.00 0.00 H new ATOM 0 HB THR A 52 3.507 -22.985 11.978 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.352 -22.338 9.199 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.967 -20.661 11.316 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.585 -20.757 12.050 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.417 -20.617 10.284 1.00 0.00 H new ATOM 833 N GLY A 53 6.390 -24.640 12.465 1.00 0.00 N ATOM 834 CA GLY A 53 6.583 -25.920 13.135 1.00 0.00 C ATOM 835 C GLY A 53 7.277 -26.920 12.217 1.00 0.00 C ATOM 836 O GLY A 53 7.937 -26.482 11.289 1.00 0.00 O ATOM 837 OXT GLY A 53 7.138 -28.108 12.455 1.00 0.00 O ATOM 0 H GLY A 53 7.010 -23.896 12.785 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.178 -25.776 14.037 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.618 -26.319 13.449 1.00 0.00 H new TER 841 GLY A 53