USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 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 Single : A 5 THR OG1 : rot -66:sc= -0.448 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.74 K(o=-0.095,f=-6.6!) USER MOD Single : A 14 TYR OH : rot 49:sc= 0.0355 USER MOD Single : A 18 SER OG : rot 180:sc= 0.177 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0684) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 SER OG : rot -74:sc= 0.0655 USER MOD Single : A 35 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.0048) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 110:sc=-0.00277 USER MOD Single : A 42 THR OG1 : rot 150:sc= 0.0727 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 50 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -132:sc= -1.46! (180deg=-5.18!) USER MOD Single : A 55 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.32) USER MOD Single : A 58 SER OG : rot -160:sc= -0.996 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -0.0271 (180deg=-0.286) USER MOD Single : A 67 GLN : amide:sc= -7.06! C(o=-7.1!,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 22 N PRO A 2 -15.937 4.983 -3.351 1.00 0.00 N ATOM 23 CA PRO A 2 -15.212 5.986 -4.148 1.00 0.00 C ATOM 24 C PRO A 2 -14.779 5.438 -5.511 1.00 0.00 C ATOM 25 O PRO A 2 -15.364 4.482 -6.020 1.00 0.00 O ATOM 26 CB PRO A 2 -13.987 6.312 -3.280 1.00 0.00 C ATOM 27 CG PRO A 2 -14.380 5.906 -1.907 1.00 0.00 C ATOM 28 CD PRO A 2 -15.239 4.692 -2.090 1.00 0.00 C ATOM 0 HA PRO A 2 -15.829 6.855 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.106 5.766 -3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.741 7.373 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.505 5.682 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.926 6.703 -1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.645 3.781 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.935 4.559 -1.262 1.00 0.00 H new ATOM 36 N ARG A 3 -13.758 6.029 -6.104 1.00 0.00 N ATOM 37 CA ARG A 3 -13.311 5.599 -7.422 1.00 0.00 C ATOM 38 C ARG A 3 -12.436 4.350 -7.332 1.00 0.00 C ATOM 39 O ARG A 3 -12.646 3.375 -8.047 1.00 0.00 O ATOM 40 CB ARG A 3 -12.518 6.715 -8.106 1.00 0.00 C ATOM 41 CG ARG A 3 -12.088 6.368 -9.524 1.00 0.00 C ATOM 42 CD ARG A 3 -10.825 7.111 -9.927 1.00 0.00 C ATOM 43 NE ARG A 3 -10.977 8.562 -9.859 1.00 0.00 N ATOM 44 CZ ARG A 3 -10.156 9.367 -9.183 1.00 0.00 C ATOM 45 NH1 ARG A 3 -9.191 8.859 -8.422 1.00 0.00 N ATOM 46 NH2 ARG A 3 -10.323 10.682 -9.248 1.00 0.00 N ATOM 0 H ARG A 3 -13.225 6.800 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.200 5.365 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.125 7.620 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.633 6.940 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.918 5.294 -9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.892 6.614 -10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.006 6.805 -9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.549 6.826 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.759 8.986 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.075 7.848 -8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.567 9.480 -7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.077 11.073 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.698 11.302 -8.733 1.00 0.00 H new ATOM 60 N ASP A 4 -11.464 4.388 -6.434 1.00 0.00 N ATOM 61 CA ASP A 4 -10.377 3.412 -6.433 1.00 0.00 C ATOM 62 C ASP A 4 -10.418 2.472 -5.236 1.00 0.00 C ATOM 63 O ASP A 4 -9.436 1.792 -4.954 1.00 0.00 O ATOM 64 CB ASP A 4 -9.037 4.139 -6.439 1.00 0.00 C ATOM 65 CG ASP A 4 -8.860 5.026 -7.651 1.00 0.00 C ATOM 66 OD1 ASP A 4 -8.467 4.507 -8.718 1.00 0.00 O ATOM 67 OD2 ASP A 4 -9.109 6.246 -7.539 1.00 0.00 O ATOM 0 H ASP A 4 -11.403 5.086 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.501 2.806 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.952 4.743 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.231 3.406 -6.409 1.00 0.00 H new ATOM 72 N THR A 5 -11.532 2.422 -4.533 1.00 0.00 N ATOM 73 CA THR A 5 -11.609 1.597 -3.335 1.00 0.00 C ATOM 74 C THR A 5 -11.879 0.134 -3.683 1.00 0.00 C ATOM 75 O THR A 5 -11.243 -0.770 -3.139 1.00 0.00 O ATOM 76 CB THR A 5 -12.676 2.131 -2.367 1.00 0.00 C ATOM 77 OG1 THR A 5 -12.343 3.476 -2.005 1.00 0.00 O ATOM 78 CG2 THR A 5 -12.757 1.274 -1.116 1.00 0.00 C ATOM 0 H THR A 5 -12.385 2.932 -4.762 1.00 0.00 H new ATOM 0 HA THR A 5 -10.640 1.649 -2.838 1.00 0.00 H new ATOM 0 HB THR A 5 -13.646 2.101 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.517 3.478 -1.478 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.520 1.675 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.017 0.252 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.792 1.279 -0.608 1.00 0.00 H new ATOM 86 N SER A 6 -12.796 -0.092 -4.612 1.00 0.00 N ATOM 87 CA SER A 6 -13.075 -1.436 -5.096 1.00 0.00 C ATOM 88 C SER A 6 -11.899 -1.926 -5.936 1.00 0.00 C ATOM 89 O SER A 6 -11.706 -3.123 -6.148 1.00 0.00 O ATOM 90 CB SER A 6 -14.366 -1.440 -5.911 1.00 0.00 C ATOM 91 OG SER A 6 -14.739 -2.753 -6.292 1.00 0.00 O ATOM 0 H SER A 6 -13.360 0.639 -5.046 1.00 0.00 H new ATOM 0 HA SER A 6 -13.206 -2.111 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.167 -0.989 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.236 -0.825 -6.802 1.00 0.00 H new ATOM 0 HG SER A 6 -15.570 -2.720 -6.811 1.00 0.00 H new ATOM 97 N ARG A 7 -11.118 -0.971 -6.412 1.00 0.00 N ATOM 98 CA ARG A 7 -9.879 -1.245 -7.115 1.00 0.00 C ATOM 99 C ARG A 7 -8.787 -1.661 -6.137 1.00 0.00 C ATOM 100 O ARG A 7 -8.192 -2.728 -6.264 1.00 0.00 O ATOM 101 CB ARG A 7 -9.444 0.015 -7.873 1.00 0.00 C ATOM 102 CG ARG A 7 -7.967 0.048 -8.243 1.00 0.00 C ATOM 103 CD ARG A 7 -7.423 1.462 -8.157 1.00 0.00 C ATOM 104 NE ARG A 7 -5.991 1.528 -8.437 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.284 2.664 -8.484 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.891 3.839 -8.391 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.972 2.622 -8.661 1.00 0.00 N ATOM 0 H ARG A 7 -11.329 0.023 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.041 -2.063 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.036 0.099 -8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.673 0.889 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.405 -0.604 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.832 -0.338 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.958 2.097 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.614 1.861 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.498 0.652 -8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.904 3.882 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.345 4.700 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.499 1.724 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.434 3.488 -8.697 1.00 0.00 H new ATOM 121 N CYS A 8 -8.552 -0.819 -5.144 1.00 0.00 N ATOM 122 CA CYS A 8 -7.407 -0.974 -4.265 1.00 0.00 C ATOM 123 C CYS A 8 -7.512 -2.223 -3.410 1.00 0.00 C ATOM 124 O CYS A 8 -6.501 -2.855 -3.118 1.00 0.00 O ATOM 125 CB CYS A 8 -7.271 0.233 -3.357 1.00 0.00 C ATOM 126 SG CYS A 8 -5.546 0.643 -2.943 1.00 0.00 S ATOM 0 H CYS A 8 -9.143 -0.017 -4.927 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.528 -1.065 -4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.735 1.094 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.823 0.048 -2.435 1.00 0.00 H new ATOM 131 N VAL A 9 -8.734 -2.575 -3.023 1.00 0.00 N ATOM 132 CA VAL A 9 -8.973 -3.697 -2.114 1.00 0.00 C ATOM 133 C VAL A 9 -8.301 -4.986 -2.603 1.00 0.00 C ATOM 134 O VAL A 9 -7.850 -5.804 -1.800 1.00 0.00 O ATOM 135 CB VAL A 9 -10.489 -3.919 -1.912 1.00 0.00 C ATOM 136 CG1 VAL A 9 -11.181 -4.121 -3.247 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.760 -5.087 -0.972 1.00 0.00 C ATOM 0 H VAL A 9 -9.582 -2.097 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.523 -3.439 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.900 -3.024 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.248 -4.276 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.033 -3.239 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.760 -4.993 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.836 -5.215 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.330 -5.997 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.308 -4.885 -0.001 1.00 0.00 H new ATOM 147 N GLY A 10 -8.209 -5.154 -3.915 1.00 0.00 N ATOM 148 CA GLY A 10 -7.554 -6.326 -4.455 1.00 0.00 C ATOM 149 C GLY A 10 -6.067 -6.107 -4.664 1.00 0.00 C ATOM 150 O GLY A 10 -5.289 -7.062 -4.701 1.00 0.00 O ATOM 0 H GLY A 10 -8.574 -4.503 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.704 -7.168 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.017 -6.594 -5.405 1.00 0.00 H new ATOM 154 N TYR A 11 -5.674 -4.848 -4.799 1.00 0.00 N ATOM 155 CA TYR A 11 -4.292 -4.498 -5.092 1.00 0.00 C ATOM 156 C TYR A 11 -3.475 -4.241 -3.829 1.00 0.00 C ATOM 157 O TYR A 11 -2.561 -4.997 -3.508 1.00 0.00 O ATOM 158 CB TYR A 11 -4.232 -3.265 -5.983 1.00 0.00 C ATOM 159 CG TYR A 11 -4.662 -3.526 -7.403 1.00 0.00 C ATOM 160 CD1 TYR A 11 -4.076 -4.538 -8.148 1.00 0.00 C ATOM 161 CD2 TYR A 11 -5.649 -2.762 -7.995 1.00 0.00 C ATOM 162 CE1 TYR A 11 -4.466 -4.781 -9.447 1.00 0.00 C ATOM 163 CE2 TYR A 11 -6.048 -2.995 -9.294 1.00 0.00 C ATOM 164 CZ TYR A 11 -5.452 -4.006 -10.020 1.00 0.00 C ATOM 165 OH TYR A 11 -5.849 -4.243 -11.318 1.00 0.00 O ATOM 0 H TYR A 11 -6.299 -4.047 -4.709 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.857 -5.354 -5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.867 -2.488 -5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.213 -2.878 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.302 -5.145 -7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.116 -1.969 -7.431 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.002 -5.575 -10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.823 -2.390 -9.741 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.553 -3.608 -11.566 1.00 0.00 H new ATOM 175 N HIS A 12 -3.805 -3.158 -3.125 1.00 0.00 N ATOM 176 CA HIS A 12 -2.974 -2.683 -2.019 1.00 0.00 C ATOM 177 C HIS A 12 -3.745 -2.732 -0.705 1.00 0.00 C ATOM 178 O HIS A 12 -3.327 -2.134 0.285 1.00 0.00 O ATOM 179 CB HIS A 12 -2.490 -1.239 -2.248 1.00 0.00 C ATOM 180 CG HIS A 12 -2.230 -0.863 -3.677 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.850 0.204 -4.287 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.406 -1.396 -4.607 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.419 0.311 -5.527 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.540 -0.645 -5.749 1.00 0.00 N ATOM 0 H HIS A 12 -4.638 -2.596 -3.300 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.109 -3.344 -1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.235 -0.556 -1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.573 -1.087 -1.678 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -3.537 0.817 -3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.762 -2.253 -4.476 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.733 1.057 -6.242 1.00 0.00 H new ATOM 193 N GLY A 13 -4.869 -3.434 -0.699 1.00 0.00 N ATOM 194 CA GLY A 13 -5.638 -3.583 0.523 1.00 0.00 C ATOM 195 C GLY A 13 -6.830 -2.645 0.602 1.00 0.00 C ATOM 196 O GLY A 13 -7.198 -2.012 -0.383 1.00 0.00 O ATOM 0 H GLY A 13 -5.263 -3.902 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.989 -4.612 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.986 -3.404 1.378 1.00 0.00 H new ATOM 200 N TYR A 14 -7.436 -2.558 1.779 1.00 0.00 N ATOM 201 CA TYR A 14 -8.673 -1.801 1.954 1.00 0.00 C ATOM 202 C TYR A 14 -8.393 -0.328 2.252 1.00 0.00 C ATOM 203 O TYR A 14 -7.250 0.066 2.450 1.00 0.00 O ATOM 204 CB TYR A 14 -9.521 -2.425 3.067 1.00 0.00 C ATOM 205 CG TYR A 14 -8.786 -2.635 4.372 1.00 0.00 C ATOM 206 CD1 TYR A 14 -8.428 -3.908 4.795 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.457 -1.560 5.184 1.00 0.00 C ATOM 208 CE1 TYR A 14 -7.765 -4.101 5.991 1.00 0.00 C ATOM 209 CE2 TYR A 14 -7.791 -1.744 6.379 1.00 0.00 C ATOM 210 CZ TYR A 14 -7.448 -3.015 6.778 1.00 0.00 C ATOM 211 OH TYR A 14 -6.790 -3.197 7.972 1.00 0.00 O ATOM 0 H TYR A 14 -7.092 -3.003 2.630 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.229 -1.845 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.385 -1.786 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.903 -3.386 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.672 -4.761 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.727 -0.561 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.496 -5.098 6.308 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.541 -0.895 6.997 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.019 -3.785 7.834 1.00 0.00 H new ATOM 221 N CYS A 15 -9.449 0.474 2.318 1.00 0.00 N ATOM 222 CA CYS A 15 -9.300 1.921 2.429 1.00 0.00 C ATOM 223 C CYS A 15 -9.880 2.461 3.734 1.00 0.00 C ATOM 224 O CYS A 15 -11.063 2.803 3.804 1.00 0.00 O ATOM 225 CB CYS A 15 -9.992 2.604 1.252 1.00 0.00 C ATOM 226 SG CYS A 15 -9.426 2.051 -0.387 1.00 0.00 S ATOM 0 H CYS A 15 -10.415 0.149 2.297 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.232 2.139 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.065 2.430 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.837 3.680 1.331 1.00 0.00 H new ATOM 231 N ILE A 16 -9.053 2.530 4.766 1.00 0.00 N ATOM 232 CA ILE A 16 -9.462 3.148 6.020 1.00 0.00 C ATOM 233 C ILE A 16 -9.032 4.605 6.030 1.00 0.00 C ATOM 234 O ILE A 16 -8.523 5.095 5.030 1.00 0.00 O ATOM 235 CB ILE A 16 -8.914 2.419 7.264 1.00 0.00 C ATOM 236 CG1 ILE A 16 -7.382 2.416 7.275 1.00 0.00 C ATOM 237 CG2 ILE A 16 -9.467 1.006 7.316 1.00 0.00 C ATOM 238 CD1 ILE A 16 -6.782 1.636 8.428 1.00 0.00 C ATOM 0 H ILE A 16 -8.099 2.168 4.762 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.548 3.075 6.077 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.241 2.955 8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.022 1.995 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.026 3.445 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.077 0.495 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.555 1.043 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.166 0.464 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.694 1.679 8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.112 2.070 9.372 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.108 0.597 8.373 1.00 0.00 H new ATOM 250 N ARG A 17 -9.210 5.293 7.138 1.00 0.00 N ATOM 251 CA ARG A 17 -8.874 6.707 7.188 1.00 0.00 C ATOM 252 C ARG A 17 -7.378 6.923 7.403 1.00 0.00 C ATOM 253 O ARG A 17 -6.751 7.723 6.708 1.00 0.00 O ATOM 254 CB ARG A 17 -9.642 7.409 8.306 1.00 0.00 C ATOM 255 CG ARG A 17 -9.338 8.896 8.395 1.00 0.00 C ATOM 256 CD ARG A 17 -9.861 9.497 9.687 1.00 0.00 C ATOM 257 NE ARG A 17 -9.187 8.933 10.853 1.00 0.00 N ATOM 258 CZ ARG A 17 -9.457 9.279 12.109 1.00 0.00 C ATOM 259 NH1 ARG A 17 -10.378 10.196 12.368 1.00 0.00 N ATOM 260 NH2 ARG A 17 -8.799 8.707 13.106 1.00 0.00 N ATOM 0 H ARG A 17 -9.580 4.907 8.007 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.156 7.133 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.711 7.272 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.399 6.937 9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.261 9.052 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.787 9.411 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.718 10.577 9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.934 9.319 9.764 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.465 8.230 10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.884 10.641 11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.581 10.457 13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.087 8.003 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.004 8.970 14.070 1.00 0.00 H new ATOM 274 N SER A 18 -6.805 6.205 8.355 1.00 0.00 N ATOM 275 CA SER A 18 -5.475 6.531 8.833 1.00 0.00 C ATOM 276 C SER A 18 -4.543 5.328 8.800 1.00 0.00 C ATOM 277 O SER A 18 -4.967 4.199 8.583 1.00 0.00 O ATOM 278 CB SER A 18 -5.582 7.103 10.247 1.00 0.00 C ATOM 279 OG SER A 18 -6.346 8.301 10.252 1.00 0.00 O ATOM 0 H SER A 18 -7.237 5.400 8.808 1.00 0.00 H new ATOM 0 HA SER A 18 -5.040 7.276 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.045 6.369 10.907 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.585 7.301 10.640 1.00 0.00 H new ATOM 0 HG SER A 18 -6.403 8.649 11.166 1.00 0.00 H new ATOM 285 N LYS A 19 -3.265 5.602 9.042 1.00 0.00 N ATOM 286 CA LYS A 19 -2.194 4.624 8.927 1.00 0.00 C ATOM 287 C LYS A 19 -2.137 3.718 10.149 1.00 0.00 C ATOM 288 O LYS A 19 -1.111 3.104 10.445 1.00 0.00 O ATOM 289 CB LYS A 19 -0.870 5.360 8.782 1.00 0.00 C ATOM 290 CG LYS A 19 -0.706 6.133 7.479 1.00 0.00 C ATOM 291 CD LYS A 19 -1.690 7.288 7.302 1.00 0.00 C ATOM 292 CE LYS A 19 -1.471 8.389 8.328 1.00 0.00 C ATOM 293 NZ LYS A 19 -2.293 9.594 8.040 1.00 0.00 N ATOM 0 H LYS A 19 -2.941 6.526 9.328 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.384 4.001 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.764 6.054 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.058 4.637 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.309 6.526 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.822 5.442 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.586 7.702 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.709 6.911 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.716 8.012 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.417 8.665 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.112 10.319 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.042 9.970 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.301 9.337 8.051 1.00 0.00 H new ATOM 307 N VAL A 20 -3.254 3.649 10.840 1.00 0.00 N ATOM 308 CA VAL A 20 -3.396 2.844 12.057 1.00 0.00 C ATOM 309 C VAL A 20 -3.612 1.367 11.714 1.00 0.00 C ATOM 310 O VAL A 20 -4.330 0.644 12.410 1.00 0.00 O ATOM 311 CB VAL A 20 -4.570 3.333 12.932 1.00 0.00 C ATOM 312 CG1 VAL A 20 -4.374 2.902 14.379 1.00 0.00 C ATOM 313 CG2 VAL A 20 -4.734 4.840 12.832 1.00 0.00 C ATOM 0 H VAL A 20 -4.103 4.151 10.579 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.469 2.957 12.619 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.486 2.873 12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.211 3.256 14.981 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.324 1.814 14.431 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.446 3.327 14.763 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.568 5.158 13.458 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.820 5.329 13.170 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.932 5.117 11.796 1.00 0.00 H new ATOM 323 N CYS A 21 -3.006 0.940 10.620 1.00 0.00 N ATOM 324 CA CYS A 21 -3.165 -0.412 10.114 1.00 0.00 C ATOM 325 C CYS A 21 -2.733 -1.458 11.144 1.00 0.00 C ATOM 326 O CYS A 21 -1.665 -1.346 11.756 1.00 0.00 O ATOM 327 CB CYS A 21 -2.341 -0.564 8.842 1.00 0.00 C ATOM 328 SG CYS A 21 -2.654 0.747 7.616 1.00 0.00 S ATOM 0 H CYS A 21 -2.388 1.523 10.056 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.221 -0.579 9.903 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.282 -0.563 9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.558 -1.532 8.391 1.00 0.00 H new ATOM 333 N PRO A 22 -3.577 -2.483 11.348 1.00 0.00 N ATOM 334 CA PRO A 22 -3.285 -3.612 12.243 1.00 0.00 C ATOM 335 C PRO A 22 -2.218 -4.534 11.656 1.00 0.00 C ATOM 336 O PRO A 22 -1.601 -4.213 10.644 1.00 0.00 O ATOM 337 CB PRO A 22 -4.627 -4.338 12.343 1.00 0.00 C ATOM 338 CG PRO A 22 -5.326 -4.017 11.072 1.00 0.00 C ATOM 339 CD PRO A 22 -4.901 -2.623 10.709 1.00 0.00 C ATOM 0 HA PRO A 22 -2.892 -3.289 13.207 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.488 -5.413 12.458 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.198 -3.997 13.206 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.055 -4.724 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.407 -4.076 11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.840 -2.491 9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.606 -1.880 11.081 1.00 0.00 H new ATOM 347 N LYS A 23 -1.966 -5.655 12.313 1.00 0.00 N ATOM 348 CA LYS A 23 -0.979 -6.612 11.827 1.00 0.00 C ATOM 349 C LYS A 23 -1.644 -7.915 11.386 1.00 0.00 C ATOM 350 O LYS A 23 -2.633 -8.346 11.983 1.00 0.00 O ATOM 351 CB LYS A 23 0.073 -6.914 12.906 1.00 0.00 C ATOM 352 CG LYS A 23 1.131 -5.830 13.089 1.00 0.00 C ATOM 353 CD LYS A 23 0.557 -4.562 13.696 1.00 0.00 C ATOM 354 CE LYS A 23 1.647 -3.554 14.031 1.00 0.00 C ATOM 355 NZ LYS A 23 2.409 -3.129 12.830 1.00 0.00 N ATOM 0 H LYS A 23 -2.428 -5.926 13.181 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.486 -6.159 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.437 -7.069 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.572 -7.850 12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.928 -6.208 13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.580 -5.597 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.151 -4.114 12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.001 -4.811 14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.198 -2.680 14.502 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.332 -3.991 14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.082 -2.381 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.929 -3.942 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.751 -2.765 12.112 1.00 0.00 H new ATOM 369 N PRO A 24 -1.119 -8.549 10.321 1.00 0.00 N ATOM 370 CA PRO A 24 -0.087 -7.957 9.473 1.00 0.00 C ATOM 371 C PRO A 24 -0.687 -7.078 8.375 1.00 0.00 C ATOM 372 O PRO A 24 -1.203 -7.585 7.383 1.00 0.00 O ATOM 373 CB PRO A 24 0.581 -9.188 8.866 1.00 0.00 C ATOM 374 CG PRO A 24 -0.521 -10.186 8.738 1.00 0.00 C ATOM 375 CD PRO A 24 -1.500 -9.895 9.855 1.00 0.00 C ATOM 0 HA PRO A 24 0.591 -7.304 10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.026 -8.961 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.382 -9.561 9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.007 -10.104 7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.135 -11.202 8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.530 -9.918 9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.423 -10.631 10.655 1.00 0.00 H new ATOM 383 N PHE A 25 -0.602 -5.771 8.537 1.00 0.00 N ATOM 384 CA PHE A 25 -1.091 -4.841 7.527 1.00 0.00 C ATOM 385 C PHE A 25 -0.165 -3.646 7.444 1.00 0.00 C ATOM 386 O PHE A 25 0.476 -3.279 8.431 1.00 0.00 O ATOM 387 CB PHE A 25 -2.524 -4.373 7.838 1.00 0.00 C ATOM 388 CG PHE A 25 -3.573 -5.419 7.609 1.00 0.00 C ATOM 389 CD1 PHE A 25 -4.376 -5.369 6.486 1.00 0.00 C ATOM 390 CD2 PHE A 25 -3.748 -6.457 8.508 1.00 0.00 C ATOM 391 CE1 PHE A 25 -5.331 -6.334 6.260 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.703 -7.427 8.288 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.496 -7.362 7.161 1.00 0.00 C ATOM 0 H PHE A 25 -0.198 -5.325 9.360 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.109 -5.360 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.571 -4.048 8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.753 -3.504 7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.253 -4.563 5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.129 -6.508 9.392 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.950 -6.285 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.830 -8.234 8.995 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.247 -8.118 6.985 1.00 0.00 H new ATOM 403 N ALA A 26 -0.082 -3.048 6.272 1.00 0.00 N ATOM 404 CA ALA A 26 0.770 -1.888 6.082 1.00 0.00 C ATOM 405 C ALA A 26 0.011 -0.767 5.402 1.00 0.00 C ATOM 406 O ALA A 26 -0.782 -1.009 4.488 1.00 0.00 O ATOM 407 CB ALA A 26 2.004 -2.254 5.270 1.00 0.00 C ATOM 0 H ALA A 26 -0.591 -3.344 5.439 1.00 0.00 H new ATOM 0 HA ALA A 26 1.090 -1.542 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.629 -1.370 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.570 -3.024 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.699 -2.630 4.294 1.00 0.00 H new ATOM 413 N ALA A 27 0.229 0.450 5.884 1.00 0.00 N ATOM 414 CA ALA A 27 -0.306 1.635 5.254 1.00 0.00 C ATOM 415 C ALA A 27 0.314 1.823 3.881 1.00 0.00 C ATOM 416 O ALA A 27 1.411 2.374 3.748 1.00 0.00 O ATOM 417 CB ALA A 27 -0.032 2.848 6.129 1.00 0.00 C ATOM 0 H ALA A 27 0.781 0.636 6.721 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.383 1.521 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.437 3.740 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.506 2.710 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.043 2.964 6.263 1.00 0.00 H new ATOM 423 N PHE A 28 -0.380 1.359 2.862 1.00 0.00 N ATOM 424 CA PHE A 28 0.118 1.440 1.513 1.00 0.00 C ATOM 425 C PHE A 28 -0.540 2.589 0.790 1.00 0.00 C ATOM 426 O PHE A 28 -1.580 2.429 0.152 1.00 0.00 O ATOM 427 CB PHE A 28 -0.125 0.131 0.768 1.00 0.00 C ATOM 428 CG PHE A 28 1.115 -0.674 0.582 1.00 0.00 C ATOM 429 CD1 PHE A 28 2.221 -0.121 -0.039 1.00 0.00 C ATOM 430 CD2 PHE A 28 1.173 -1.980 1.018 1.00 0.00 C ATOM 431 CE1 PHE A 28 3.367 -0.862 -0.219 1.00 0.00 C ATOM 432 CE2 PHE A 28 2.313 -2.728 0.842 1.00 0.00 C ATOM 433 CZ PHE A 28 3.413 -2.168 0.223 1.00 0.00 C ATOM 0 H PHE A 28 -1.296 0.920 2.948 1.00 0.00 H new ATOM 0 HA PHE A 28 1.193 1.614 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.857 -0.462 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.559 0.350 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.185 0.901 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.314 -2.420 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.226 -0.423 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.348 -3.751 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.310 -2.753 0.085 1.00 0.00 H new ATOM 443 N GLY A 29 0.070 3.753 0.923 1.00 0.00 N ATOM 444 CA GLY A 29 -0.394 4.928 0.233 1.00 0.00 C ATOM 445 C GLY A 29 -1.868 5.170 0.399 1.00 0.00 C ATOM 446 O GLY A 29 -2.418 5.028 1.492 1.00 0.00 O ATOM 0 H GLY A 29 0.892 3.903 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.154 5.796 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.166 4.832 -0.828 1.00 0.00 H new ATOM 450 N THR A 30 -2.503 5.518 -0.695 1.00 0.00 N ATOM 451 CA THR A 30 -3.908 5.840 -0.693 1.00 0.00 C ATOM 452 C THR A 30 -4.551 5.310 -1.966 1.00 0.00 C ATOM 453 O THR A 30 -3.966 5.403 -3.046 1.00 0.00 O ATOM 454 CB THR A 30 -4.105 7.365 -0.601 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.387 8.016 -1.660 1.00 0.00 O ATOM 456 CG2 THR A 30 -3.607 7.896 0.732 1.00 0.00 C ATOM 0 H THR A 30 -2.059 5.586 -1.611 1.00 0.00 H new ATOM 0 HA THR A 30 -4.380 5.375 0.173 1.00 0.00 H new ATOM 0 HB THR A 30 -5.171 7.573 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.246 8.958 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.757 8.975 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.161 7.422 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.545 7.673 0.839 1.00 0.00 H new ATOM 464 N CYS A 31 -5.740 4.738 -1.842 1.00 0.00 N ATOM 465 CA CYS A 31 -6.418 4.163 -2.989 1.00 0.00 C ATOM 466 C CYS A 31 -7.001 5.229 -3.900 1.00 0.00 C ATOM 467 O CYS A 31 -6.513 5.448 -5.005 1.00 0.00 O ATOM 468 CB CYS A 31 -7.523 3.227 -2.526 1.00 0.00 C ATOM 469 SG CYS A 31 -8.651 3.932 -1.279 1.00 0.00 S ATOM 0 H CYS A 31 -6.251 4.661 -0.963 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.675 3.606 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.108 2.922 -3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.068 2.326 -2.115 1.00 0.00 H new ATOM 474 N SER A 32 -8.048 5.887 -3.434 1.00 0.00 N ATOM 475 CA SER A 32 -8.757 6.845 -4.252 1.00 0.00 C ATOM 476 C SER A 32 -8.444 8.251 -3.778 1.00 0.00 C ATOM 477 O SER A 32 -7.729 8.997 -4.443 1.00 0.00 O ATOM 478 CB SER A 32 -10.264 6.570 -4.175 1.00 0.00 C ATOM 479 OG SER A 32 -10.952 7.140 -5.271 1.00 0.00 O ATOM 0 H SER A 32 -8.423 5.773 -2.492 1.00 0.00 H new ATOM 0 HA SER A 32 -8.438 6.750 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.438 5.494 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.662 6.975 -3.244 1.00 0.00 H new ATOM 0 HG SER A 32 -11.001 8.112 -5.157 1.00 0.00 H new ATOM 485 N TRP A 33 -8.975 8.601 -2.621 1.00 0.00 N ATOM 486 CA TRP A 33 -8.673 9.873 -2.003 1.00 0.00 C ATOM 487 C TRP A 33 -7.498 9.681 -1.057 1.00 0.00 C ATOM 488 O TRP A 33 -7.319 8.600 -0.496 1.00 0.00 O ATOM 489 CB TRP A 33 -9.893 10.410 -1.247 1.00 0.00 C ATOM 490 CG TRP A 33 -11.215 10.082 -1.887 1.00 0.00 C ATOM 491 CD1 TRP A 33 -12.325 9.620 -1.245 1.00 0.00 C ATOM 492 CD2 TRP A 33 -11.567 10.168 -3.280 1.00 0.00 C ATOM 493 NE1 TRP A 33 -13.341 9.419 -2.140 1.00 0.00 N ATOM 494 CE2 TRP A 33 -12.904 9.744 -3.393 1.00 0.00 C ATOM 495 CE3 TRP A 33 -10.890 10.559 -4.441 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -13.574 9.699 -4.611 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -11.559 10.513 -5.650 1.00 0.00 C ATOM 498 CH2 TRP A 33 -12.887 10.084 -5.725 1.00 0.00 C ATOM 0 H TRP A 33 -9.621 8.017 -2.090 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.414 10.603 -2.770 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.884 10.007 -0.234 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.804 11.493 -1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -12.393 9.439 -0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -14.275 9.081 -1.908 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -9.863 10.891 -4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -14.601 9.371 -4.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -11.047 10.814 -6.552 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -13.380 10.057 -6.686 1.00 0.00 H new ATOM 509 N ARG A 34 -6.701 10.721 -0.881 1.00 0.00 N ATOM 510 CA ARG A 34 -5.515 10.640 -0.039 1.00 0.00 C ATOM 511 C ARG A 34 -5.903 10.580 1.434 1.00 0.00 C ATOM 512 O ARG A 34 -5.168 10.058 2.271 1.00 0.00 O ATOM 513 CB ARG A 34 -4.597 11.831 -0.312 1.00 0.00 C ATOM 514 CG ARG A 34 -3.299 11.805 0.473 1.00 0.00 C ATOM 515 CD ARG A 34 -3.417 12.505 1.817 1.00 0.00 C ATOM 516 NE ARG A 34 -2.213 12.320 2.625 1.00 0.00 N ATOM 517 CZ ARG A 34 -1.770 13.195 3.526 1.00 0.00 C ATOM 518 NH1 ARG A 34 -2.449 14.311 3.767 1.00 0.00 N ATOM 519 NH2 ARG A 34 -0.648 12.948 4.191 1.00 0.00 N ATOM 0 H ARG A 34 -6.852 11.634 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.976 9.724 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.365 11.861 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.133 12.751 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.995 10.770 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.514 12.282 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.591 13.569 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.281 12.117 2.356 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.676 11.463 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.314 14.501 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.105 14.978 4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.127 12.090 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.307 13.617 4.882 1.00 0.00 H new ATOM 533 N GLN A 35 -7.057 11.136 1.733 1.00 0.00 N ATOM 534 CA GLN A 35 -7.621 11.106 3.082 1.00 0.00 C ATOM 535 C GLN A 35 -7.815 9.679 3.610 1.00 0.00 C ATOM 536 O GLN A 35 -8.033 9.488 4.804 1.00 0.00 O ATOM 537 CB GLN A 35 -8.963 11.835 3.105 1.00 0.00 C ATOM 538 CG GLN A 35 -9.944 11.318 2.070 1.00 0.00 C ATOM 539 CD GLN A 35 -11.306 11.989 2.141 1.00 0.00 C ATOM 540 OE1 GLN A 35 -11.998 12.126 1.132 1.00 0.00 O ATOM 541 NE2 GLN A 35 -11.708 12.394 3.332 1.00 0.00 N ATOM 0 H GLN A 35 -7.638 11.625 1.052 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.904 11.606 3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.405 11.736 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.794 12.898 2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.524 11.469 1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.069 10.243 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.106 12.263 4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.620 12.838 3.439 1.00 0.00 H new ATOM 550 N LYS A 36 -7.754 8.689 2.725 1.00 0.00 N ATOM 551 CA LYS A 36 -7.909 7.295 3.132 1.00 0.00 C ATOM 552 C LYS A 36 -6.726 6.437 2.685 1.00 0.00 C ATOM 553 O LYS A 36 -6.361 6.410 1.509 1.00 0.00 O ATOM 554 CB LYS A 36 -9.235 6.717 2.615 1.00 0.00 C ATOM 555 CG LYS A 36 -9.528 7.016 1.154 1.00 0.00 C ATOM 556 CD LYS A 36 -11.022 7.196 0.918 1.00 0.00 C ATOM 557 CE LYS A 36 -11.786 5.889 1.066 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.147 6.100 1.631 1.00 0.00 N ATOM 0 H LYS A 36 -7.599 8.824 1.726 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.929 7.275 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.225 5.636 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.049 7.110 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.998 7.919 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.154 6.203 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.415 7.927 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.185 7.599 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.868 5.405 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.226 5.213 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.634 5.185 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.069 6.538 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.691 6.725 1.002 1.00 0.00 H new ATOM 572 N THR A 37 -6.154 5.728 3.648 1.00 0.00 N ATOM 573 CA THR A 37 -4.977 4.903 3.439 1.00 0.00 C ATOM 574 C THR A 37 -5.375 3.526 2.911 1.00 0.00 C ATOM 575 O THR A 37 -6.448 3.016 3.243 1.00 0.00 O ATOM 576 CB THR A 37 -4.207 4.736 4.767 1.00 0.00 C ATOM 577 OG1 THR A 37 -3.987 6.021 5.368 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.869 4.039 4.554 1.00 0.00 C ATOM 0 H THR A 37 -6.500 5.711 4.607 1.00 0.00 H new ATOM 0 HA THR A 37 -4.339 5.395 2.705 1.00 0.00 H new ATOM 0 HB THR A 37 -4.813 4.116 5.428 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.540 6.105 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.355 3.939 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.038 3.050 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.256 4.629 3.872 1.00 0.00 H new ATOM 586 N CYS A 38 -4.523 2.930 2.086 1.00 0.00 N ATOM 587 CA CYS A 38 -4.790 1.609 1.551 1.00 0.00 C ATOM 588 C CYS A 38 -3.998 0.568 2.342 1.00 0.00 C ATOM 589 O CYS A 38 -2.784 0.497 2.233 1.00 0.00 O ATOM 590 CB CYS A 38 -4.402 1.573 0.077 1.00 0.00 C ATOM 591 SG CYS A 38 -5.180 0.237 -0.877 1.00 0.00 S ATOM 0 H CYS A 38 -3.644 3.343 1.776 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.852 1.380 1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.666 2.528 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.319 1.472 0.002 1.00 0.00 H new ATOM 596 N CYS A 39 -4.679 -0.221 3.151 1.00 0.00 N ATOM 597 CA CYS A 39 -4.001 -1.160 4.034 1.00 0.00 C ATOM 598 C CYS A 39 -4.221 -2.601 3.595 1.00 0.00 C ATOM 599 O CYS A 39 -5.336 -3.120 3.667 1.00 0.00 O ATOM 600 CB CYS A 39 -4.485 -0.972 5.468 1.00 0.00 C ATOM 601 SG CYS A 39 -4.203 0.703 6.129 1.00 0.00 S ATOM 0 H CYS A 39 -5.697 -0.233 3.218 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.932 -0.954 3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.551 -1.195 5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.980 -1.695 6.109 1.00 0.00 H new ATOM 606 N VAL A 40 -3.154 -3.238 3.138 1.00 0.00 N ATOM 607 CA VAL A 40 -3.213 -4.633 2.728 1.00 0.00 C ATOM 608 C VAL A 40 -2.560 -5.513 3.780 1.00 0.00 C ATOM 609 O VAL A 40 -1.706 -5.049 4.541 1.00 0.00 O ATOM 610 CB VAL A 40 -2.507 -4.854 1.370 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.995 -4.853 1.521 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.997 -6.133 0.709 1.00 0.00 C ATOM 0 H VAL A 40 -2.233 -2.809 3.041 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.264 -4.901 2.619 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.766 -4.019 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.532 -5.011 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.670 -3.894 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.696 -5.653 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.487 -6.268 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.784 -6.983 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.072 -6.066 0.539 1.00 0.00 H new ATOM 622 N ASP A 41 -2.983 -6.769 3.843 1.00 0.00 N ATOM 623 CA ASP A 41 -2.379 -7.734 4.712 1.00 0.00 C ATOM 624 C ASP A 41 -0.985 -8.078 4.207 1.00 0.00 C ATOM 625 O ASP A 41 -0.795 -8.979 3.388 1.00 0.00 O ATOM 626 CB ASP A 41 -3.278 -8.966 4.798 1.00 0.00 C ATOM 627 CG ASP A 41 -3.601 -9.594 3.452 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.424 -9.020 2.707 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.066 -10.684 3.151 1.00 0.00 O ATOM 0 H ASP A 41 -3.756 -7.134 3.287 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.272 -7.325 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.794 -9.712 5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.210 -8.689 5.290 1.00 0.00 H new ATOM 634 N THR A 42 -0.007 -7.330 4.685 1.00 0.00 N ATOM 635 CA THR A 42 1.337 -7.445 4.180 1.00 0.00 C ATOM 636 C THR A 42 2.049 -8.661 4.756 1.00 0.00 C ATOM 637 O THR A 42 2.795 -8.568 5.730 1.00 0.00 O ATOM 638 CB THR A 42 2.123 -6.162 4.504 1.00 0.00 C ATOM 639 OG1 THR A 42 1.767 -5.694 5.812 1.00 0.00 O ATOM 640 CG2 THR A 42 1.836 -5.079 3.473 1.00 0.00 C ATOM 0 H THR A 42 -0.125 -6.637 5.424 1.00 0.00 H new ATOM 0 HA THR A 42 1.285 -7.577 3.099 1.00 0.00 H new ATOM 0 HB THR A 42 3.188 -6.391 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.531 -5.228 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.402 -4.181 3.721 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.130 -5.431 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.771 -4.848 3.474 1.00 0.00 H new ATOM 648 N THR A 43 1.795 -9.806 4.141 1.00 0.00 N ATOM 649 CA THR A 43 2.543 -11.010 4.425 1.00 0.00 C ATOM 650 C THR A 43 3.347 -11.443 3.193 1.00 0.00 C ATOM 651 O THR A 43 4.556 -11.632 3.277 1.00 0.00 O ATOM 652 CB THR A 43 1.625 -12.149 4.945 1.00 0.00 C ATOM 653 OG1 THR A 43 2.364 -13.369 5.087 1.00 0.00 O ATOM 654 CG2 THR A 43 0.430 -12.376 4.030 1.00 0.00 C ATOM 0 H THR A 43 1.067 -9.921 3.435 1.00 0.00 H new ATOM 0 HA THR A 43 3.248 -10.789 5.227 1.00 0.00 H new ATOM 0 HB THR A 43 1.250 -11.838 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.770 -14.075 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.187 -13.181 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.161 -11.462 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.781 -12.648 3.034 1.00 0.00 H new ATOM 685 N PHE A 46 3.357 -7.609 0.104 1.00 0.00 N ATOM 686 CA PHE A 46 3.845 -6.326 0.633 1.00 0.00 C ATOM 687 C PHE A 46 4.905 -5.644 -0.233 1.00 0.00 C ATOM 688 O PHE A 46 5.169 -4.463 -0.070 1.00 0.00 O ATOM 689 CB PHE A 46 4.407 -6.511 2.021 1.00 0.00 C ATOM 690 CG PHE A 46 5.527 -7.484 2.070 1.00 0.00 C ATOM 691 CD1 PHE A 46 5.268 -8.825 2.078 1.00 0.00 C ATOM 692 CD2 PHE A 46 6.832 -7.048 2.094 1.00 0.00 C ATOM 693 CE1 PHE A 46 6.294 -9.741 2.109 1.00 0.00 C ATOM 694 CE2 PHE A 46 7.874 -7.951 2.126 1.00 0.00 C ATOM 695 CZ PHE A 46 7.604 -9.306 2.134 1.00 0.00 C ATOM 0 HA PHE A 46 2.972 -5.673 0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.753 -5.548 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.612 -6.847 2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.245 -9.171 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.042 -5.989 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.075 -10.799 2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.895 -7.601 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.413 -10.021 2.160 1.00 0.00 H new ATOM 705 N HIS A 47 5.518 -6.387 -1.132 1.00 0.00 N ATOM 706 CA HIS A 47 6.529 -5.840 -2.046 1.00 0.00 C ATOM 707 C HIS A 47 5.980 -4.709 -2.930 1.00 0.00 C ATOM 708 O HIS A 47 6.702 -4.175 -3.776 1.00 0.00 O ATOM 709 CB HIS A 47 7.134 -6.924 -2.929 1.00 0.00 C ATOM 710 CG HIS A 47 7.928 -7.957 -2.184 1.00 0.00 C ATOM 711 ND1 HIS A 47 9.282 -7.845 -1.956 1.00 0.00 N ATOM 712 CD2 HIS A 47 7.551 -9.129 -1.618 1.00 0.00 C ATOM 713 CE1 HIS A 47 9.703 -8.902 -1.285 1.00 0.00 C ATOM 714 NE2 HIS A 47 8.673 -9.697 -1.066 1.00 0.00 N ATOM 0 H HIS A 47 5.338 -7.383 -1.258 1.00 0.00 H new ATOM 0 HA HIS A 47 7.307 -5.422 -1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.332 -7.422 -3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.778 -6.453 -3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.553 -9.540 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.719 -9.085 -0.969 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.705 -10.587 -0.569 1.00 0.00 H new ATOM 723 N THR A 48 4.696 -4.389 -2.759 1.00 0.00 N ATOM 724 CA THR A 48 4.001 -3.324 -3.491 1.00 0.00 C ATOM 725 C THR A 48 4.754 -1.972 -3.505 1.00 0.00 C ATOM 726 O THR A 48 4.311 -1.025 -4.158 1.00 0.00 O ATOM 727 CB THR A 48 2.619 -3.100 -2.861 1.00 0.00 C ATOM 728 OG1 THR A 48 1.984 -4.357 -2.609 1.00 0.00 O ATOM 729 CG2 THR A 48 1.732 -2.259 -3.757 1.00 0.00 C ATOM 0 H THR A 48 4.095 -4.873 -2.092 1.00 0.00 H new ATOM 0 HA THR A 48 3.932 -3.661 -4.525 1.00 0.00 H new ATOM 0 HB THR A 48 2.766 -2.566 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.104 -4.204 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.761 -2.120 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.198 -1.288 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.598 -2.764 -4.714 1.00 0.00 H new ATOM 737 N CYS A 49 5.870 -1.878 -2.780 1.00 0.00 N ATOM 738 CA CYS A 49 6.743 -0.700 -2.827 1.00 0.00 C ATOM 739 C CYS A 49 6.887 -0.204 -4.263 1.00 0.00 C ATOM 740 O CYS A 49 6.689 0.972 -4.552 1.00 0.00 O ATOM 741 CB CYS A 49 8.127 -1.054 -2.282 1.00 0.00 C ATOM 742 SG CYS A 49 9.219 0.369 -1.995 1.00 0.00 S ATOM 0 H CYS A 49 6.194 -2.610 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 49 6.296 0.084 -2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.005 -1.596 -1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.615 -1.733 -2.981 1.00 0.00 H new ATOM 747 N GLN A 50 7.203 -1.141 -5.150 1.00 0.00 N ATOM 748 CA GLN A 50 7.349 -0.886 -6.580 1.00 0.00 C ATOM 749 C GLN A 50 6.194 -0.058 -7.161 1.00 0.00 C ATOM 750 O GLN A 50 6.419 0.868 -7.939 1.00 0.00 O ATOM 751 CB GLN A 50 7.442 -2.231 -7.297 1.00 0.00 C ATOM 752 CG GLN A 50 6.208 -3.101 -7.106 1.00 0.00 C ATOM 753 CD GLN A 50 6.459 -4.555 -7.406 1.00 0.00 C ATOM 754 OE1 GLN A 50 6.332 -4.997 -8.545 1.00 0.00 O ATOM 755 NE2 GLN A 50 6.790 -5.310 -6.378 1.00 0.00 N ATOM 0 H GLN A 50 7.368 -2.114 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 50 8.253 -0.296 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.594 -2.057 -8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.317 -2.769 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.857 -3.003 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.409 -2.735 -7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.883 -4.896 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.953 -6.308 -6.510 1.00 0.00 H new ATOM 764 N ASP A 51 4.968 -0.374 -6.762 1.00 0.00 N ATOM 765 CA ASP A 51 3.786 0.261 -7.337 1.00 0.00 C ATOM 766 C ASP A 51 3.590 1.656 -6.765 1.00 0.00 C ATOM 767 O ASP A 51 3.060 2.546 -7.428 1.00 0.00 O ATOM 768 CB ASP A 51 2.546 -0.589 -7.072 1.00 0.00 C ATOM 769 CG ASP A 51 1.333 -0.089 -7.830 1.00 0.00 C ATOM 770 OD1 ASP A 51 1.274 -0.282 -9.062 1.00 0.00 O ATOM 771 OD2 ASP A 51 0.428 0.495 -7.197 1.00 0.00 O ATOM 0 H ASP A 51 4.765 -1.067 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 51 3.936 0.346 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.749 -1.622 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.330 -0.589 -6.004 1.00 0.00 H new ATOM 776 N LYS A 52 4.034 1.841 -5.531 1.00 0.00 N ATOM 777 CA LYS A 52 3.971 3.147 -4.878 1.00 0.00 C ATOM 778 C LYS A 52 5.054 4.076 -5.401 1.00 0.00 C ATOM 779 O LYS A 52 5.083 5.265 -5.072 1.00 0.00 O ATOM 780 CB LYS A 52 4.135 3.012 -3.364 1.00 0.00 C ATOM 781 CG LYS A 52 2.846 2.716 -2.622 1.00 0.00 C ATOM 782 CD LYS A 52 2.687 3.620 -1.404 1.00 0.00 C ATOM 783 CE LYS A 52 2.615 5.090 -1.807 1.00 0.00 C ATOM 784 NZ LYS A 52 2.324 5.982 -0.655 1.00 0.00 N ATOM 0 H LYS A 52 4.443 1.103 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 52 2.991 3.568 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.851 2.216 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.562 3.935 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.998 2.854 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.837 1.673 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.783 3.345 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.526 3.468 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.561 5.386 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.843 5.218 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.562 6.642 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.028 5.410 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.179 6.520 -0.408 1.00 0.00 H new ATOM 798 N GLY A 53 5.941 3.530 -6.210 1.00 0.00 N ATOM 799 CA GLY A 53 7.079 4.290 -6.662 1.00 0.00 C ATOM 800 C GLY A 53 8.230 4.170 -5.695 1.00 0.00 C ATOM 801 O GLY A 53 8.970 5.129 -5.488 1.00 0.00 O ATOM 0 H GLY A 53 5.893 2.574 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.388 3.937 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.800 5.338 -6.772 1.00 0.00 H new ATOM 805 N GLY A 54 8.354 2.988 -5.087 1.00 0.00 N ATOM 806 CA GLY A 54 9.406 2.728 -4.122 1.00 0.00 C ATOM 807 C GLY A 54 10.755 3.212 -4.604 1.00 0.00 C ATOM 808 O GLY A 54 11.244 2.791 -5.656 1.00 0.00 O ATOM 0 H GLY A 54 7.732 2.197 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.162 3.218 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.456 1.658 -3.921 1.00 0.00 H new ATOM 812 N HIS A 55 11.343 4.112 -3.837 1.00 0.00 N ATOM 813 CA HIS A 55 12.561 4.789 -4.249 1.00 0.00 C ATOM 814 C HIS A 55 13.782 3.985 -3.842 1.00 0.00 C ATOM 815 O HIS A 55 13.725 3.178 -2.920 1.00 0.00 O ATOM 816 CB HIS A 55 12.628 6.194 -3.644 1.00 0.00 C ATOM 817 CG HIS A 55 11.617 7.150 -4.210 1.00 0.00 C ATOM 818 ND1 HIS A 55 11.940 8.138 -5.117 1.00 0.00 N ATOM 819 CD2 HIS A 55 10.288 7.275 -3.984 1.00 0.00 C ATOM 820 CE1 HIS A 55 10.856 8.825 -5.422 1.00 0.00 C ATOM 821 NE2 HIS A 55 9.839 8.323 -4.750 1.00 0.00 N ATOM 0 H HIS A 55 10.995 4.393 -2.920 1.00 0.00 H new ATOM 0 HA HIS A 55 12.549 4.879 -5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.482 6.122 -2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.627 6.600 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.691 6.664 -3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.809 9.659 -6.107 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.876 8.658 -4.792 1.00 0.00 H new ATOM 830 N CYS A 56 14.884 4.213 -4.526 1.00 0.00 N ATOM 831 CA CYS A 56 16.108 3.495 -4.246 1.00 0.00 C ATOM 832 C CYS A 56 17.208 4.457 -3.863 1.00 0.00 C ATOM 833 O CYS A 56 17.570 5.346 -4.635 1.00 0.00 O ATOM 834 CB CYS A 56 16.522 2.653 -5.448 1.00 0.00 C ATOM 835 SG CYS A 56 15.478 1.179 -5.685 1.00 0.00 S ATOM 0 H CYS A 56 14.956 4.893 -5.283 1.00 0.00 H new ATOM 0 HA CYS A 56 15.931 2.824 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 56 16.480 3.269 -6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 56 17.559 2.340 -5.324 1.00 0.00 H new ATOM 840 N VAL A 57 17.722 4.285 -2.660 1.00 0.00 N ATOM 841 CA VAL A 57 18.764 5.150 -2.153 1.00 0.00 C ATOM 842 C VAL A 57 19.968 4.330 -1.714 1.00 0.00 C ATOM 843 O VAL A 57 19.829 3.262 -1.111 1.00 0.00 O ATOM 844 CB VAL A 57 18.254 6.017 -0.981 1.00 0.00 C ATOM 845 CG1 VAL A 57 17.098 6.891 -1.430 1.00 0.00 C ATOM 846 CG2 VAL A 57 17.847 5.159 0.210 1.00 0.00 C ATOM 0 H VAL A 57 17.432 3.550 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 57 19.065 5.817 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 57 19.074 6.660 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.751 7.495 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.429 7.546 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.282 6.261 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 57 17.493 5.801 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 57 17.050 4.478 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.706 4.584 0.555 1.00 0.00 H new ATOM 856 N SER A 58 21.142 4.824 -2.064 1.00 0.00 N ATOM 857 CA SER A 58 22.390 4.169 -1.730 1.00 0.00 C ATOM 858 C SER A 58 22.649 4.308 -0.229 1.00 0.00 C ATOM 859 O SER A 58 22.055 5.165 0.429 1.00 0.00 O ATOM 860 CB SER A 58 23.513 4.799 -2.563 1.00 0.00 C ATOM 861 OG SER A 58 23.694 6.162 -2.234 1.00 0.00 O ATOM 0 H SER A 58 21.255 5.692 -2.588 1.00 0.00 H new ATOM 0 HA SER A 58 22.345 3.105 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 58 24.443 4.255 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 58 23.278 4.707 -3.623 1.00 0.00 H new ATOM 0 HG SER A 58 24.166 6.615 -2.964 1.00 0.00 H new ATOM 867 N PRO A 59 23.523 3.456 0.339 1.00 0.00 N ATOM 868 CA PRO A 59 23.777 3.414 1.789 1.00 0.00 C ATOM 869 C PRO A 59 24.328 4.723 2.358 1.00 0.00 C ATOM 870 O PRO A 59 24.458 4.866 3.572 1.00 0.00 O ATOM 871 CB PRO A 59 24.806 2.288 1.943 1.00 0.00 C ATOM 872 CG PRO A 59 25.423 2.146 0.597 1.00 0.00 C ATOM 873 CD PRO A 59 24.324 2.445 -0.376 1.00 0.00 C ATOM 0 HA PRO A 59 22.851 3.253 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.554 2.537 2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.331 1.359 2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.257 2.836 0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.816 1.140 0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 59 24.712 2.829 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 59 23.738 1.556 -0.611 1.00 0.00 H new ATOM 881 N LYS A 60 24.652 5.672 1.488 1.00 0.00 N ATOM 882 CA LYS A 60 25.159 6.967 1.926 1.00 0.00 C ATOM 883 C LYS A 60 24.065 8.029 1.888 1.00 0.00 C ATOM 884 O LYS A 60 24.277 9.172 2.287 1.00 0.00 O ATOM 885 CB LYS A 60 26.366 7.385 1.071 1.00 0.00 C ATOM 886 CG LYS A 60 26.134 7.343 -0.438 1.00 0.00 C ATOM 887 CD LYS A 60 25.330 8.536 -0.945 1.00 0.00 C ATOM 888 CE LYS A 60 26.118 9.835 -0.850 1.00 0.00 C ATOM 889 NZ LYS A 60 27.322 9.819 -1.721 1.00 0.00 N ATOM 0 H LYS A 60 24.573 5.570 0.476 1.00 0.00 H new ATOM 0 HA LYS A 60 25.487 6.873 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 60 26.657 8.398 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 60 27.206 6.734 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 60 27.097 7.316 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 60 25.611 6.422 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 60 25.039 8.363 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 24.411 8.626 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 60 25.477 10.670 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 60 26.420 10.001 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 27.676 10.789 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 28.060 9.233 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 27.073 9.423 -2.650 1.00 0.00 H new ATOM 903 N ILE A 61 22.899 7.646 1.400 1.00 0.00 N ATOM 904 CA ILE A 61 21.764 8.553 1.343 1.00 0.00 C ATOM 905 C ILE A 61 21.059 8.589 2.687 1.00 0.00 C ATOM 906 O ILE A 61 20.860 7.551 3.325 1.00 0.00 O ATOM 907 CB ILE A 61 20.745 8.121 0.272 1.00 0.00 C ATOM 908 CG1 ILE A 61 21.418 7.987 -1.094 1.00 0.00 C ATOM 909 CG2 ILE A 61 19.586 9.110 0.205 1.00 0.00 C ATOM 910 CD1 ILE A 61 21.684 9.298 -1.797 1.00 0.00 C ATOM 0 H ILE A 61 22.712 6.712 1.037 1.00 0.00 H new ATOM 0 HA ILE A 61 22.151 9.539 1.086 1.00 0.00 H new ATOM 0 HB ILE A 61 20.348 7.145 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.363 7.459 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.790 7.368 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.877 8.788 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.086 9.150 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.966 10.100 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.163 9.105 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.742 9.821 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.340 9.914 -1.182 1.00 0.00 H new ATOM 922 N ARG A 62 20.686 9.778 3.114 1.00 0.00 N ATOM 923 CA ARG A 62 19.928 9.928 4.345 1.00 0.00 C ATOM 924 C ARG A 62 18.475 10.235 4.021 1.00 0.00 C ATOM 925 O ARG A 62 18.070 11.393 3.907 1.00 0.00 O ATOM 926 CB ARG A 62 20.523 11.015 5.246 1.00 0.00 C ATOM 927 CG ARG A 62 21.740 10.567 6.046 1.00 0.00 C ATOM 928 CD ARG A 62 22.970 10.372 5.175 1.00 0.00 C ATOM 929 NE ARG A 62 24.120 9.926 5.959 1.00 0.00 N ATOM 930 CZ ARG A 62 25.386 10.002 5.551 1.00 0.00 C ATOM 931 NH1 ARG A 62 25.676 10.481 4.350 1.00 0.00 N ATOM 932 NH2 ARG A 62 26.361 9.589 6.347 1.00 0.00 N ATOM 0 H ARG A 62 20.893 10.652 2.631 1.00 0.00 H new ATOM 0 HA ARG A 62 19.982 8.988 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 62 20.802 11.869 4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.754 11.359 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 62 21.958 11.308 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 62 21.510 9.633 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 62 22.753 9.640 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 62 23.213 11.308 4.672 1.00 0.00 H new ATOM 0 HE ARG A 62 23.941 9.529 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 62 24.928 10.794 3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 62 26.647 10.536 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 62 26.142 9.214 7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 62 27.331 9.646 6.037 1.00 0.00 H new ATOM 946 N CYS A 63 17.710 9.175 3.861 1.00 0.00 N ATOM 947 CA CYS A 63 16.306 9.251 3.491 1.00 0.00 C ATOM 948 C CYS A 63 15.506 8.350 4.410 1.00 0.00 C ATOM 949 O CYS A 63 16.078 7.453 5.027 1.00 0.00 O ATOM 950 CB CYS A 63 16.147 8.820 2.031 1.00 0.00 C ATOM 951 SG CYS A 63 14.423 8.677 1.459 1.00 0.00 S ATOM 0 H CYS A 63 18.048 8.221 3.985 1.00 0.00 H new ATOM 0 HA CYS A 63 15.939 10.272 3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.667 9.538 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.641 7.858 1.895 1.00 0.00 H new ATOM 956 N LEU A 64 14.207 8.603 4.552 1.00 0.00 N ATOM 957 CA LEU A 64 13.364 7.692 5.311 1.00 0.00 C ATOM 958 C LEU A 64 13.240 6.382 4.548 1.00 0.00 C ATOM 959 O LEU A 64 12.277 6.140 3.816 1.00 0.00 O ATOM 960 CB LEU A 64 11.989 8.293 5.576 1.00 0.00 C ATOM 961 CG LEU A 64 11.924 9.229 6.783 1.00 0.00 C ATOM 962 CD1 LEU A 64 12.683 10.520 6.523 1.00 0.00 C ATOM 963 CD2 LEU A 64 10.483 9.511 7.147 1.00 0.00 C ATOM 0 H LEU A 64 13.727 9.413 4.160 1.00 0.00 H new ATOM 0 HA LEU A 64 13.826 7.510 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.670 8.842 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.275 7.482 5.723 1.00 0.00 H new ATOM 0 HG LEU A 64 12.405 8.733 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.617 11.164 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.729 10.292 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.248 11.031 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.449 10.179 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.980 9.982 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.980 8.576 7.393 1.00 0.00 H new ATOM 975 N GLU A 65 14.223 5.534 4.762 1.00 0.00 N ATOM 976 CA GLU A 65 14.373 4.309 4.007 1.00 0.00 C ATOM 977 C GLU A 65 13.591 3.161 4.629 1.00 0.00 C ATOM 978 O GLU A 65 13.031 3.293 5.722 1.00 0.00 O ATOM 979 CB GLU A 65 15.858 3.932 3.862 1.00 0.00 C ATOM 980 CG GLU A 65 16.533 3.464 5.149 1.00 0.00 C ATOM 981 CD GLU A 65 16.771 4.571 6.155 1.00 0.00 C ATOM 982 OE1 GLU A 65 15.838 4.894 6.919 1.00 0.00 O ATOM 983 OE2 GLU A 65 17.898 5.106 6.205 1.00 0.00 O ATOM 0 H GLU A 65 14.945 5.676 5.469 1.00 0.00 H new ATOM 0 HA GLU A 65 13.961 4.490 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.946 3.143 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.401 4.796 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.917 2.693 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.488 3.002 4.899 1.00 0.00 H new ATOM 990 N GLU A 66 13.528 2.060 3.884 1.00 0.00 N ATOM 991 CA GLU A 66 12.879 0.826 4.314 1.00 0.00 C ATOM 992 C GLU A 66 11.377 0.913 4.194 1.00 0.00 C ATOM 993 O GLU A 66 10.642 0.901 5.183 1.00 0.00 O ATOM 994 CB GLU A 66 13.301 0.419 5.718 1.00 0.00 C ATOM 995 CG GLU A 66 14.764 0.070 5.778 1.00 0.00 C ATOM 996 CD GLU A 66 15.230 -0.290 7.170 1.00 0.00 C ATOM 997 OE1 GLU A 66 15.440 0.627 7.992 1.00 0.00 O ATOM 998 OE2 GLU A 66 15.386 -1.498 7.449 1.00 0.00 O ATOM 0 H GLU A 66 13.933 2.000 2.950 1.00 0.00 H new ATOM 0 HA GLU A 66 13.216 0.041 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.092 1.233 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.709 -0.436 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.960 -0.767 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.348 0.914 5.412 1.00 0.00 H new ATOM 1005 N GLN A 67 10.940 1.029 2.958 1.00 0.00 N ATOM 1006 CA GLN A 67 9.540 0.837 2.631 1.00 0.00 C ATOM 1007 C GLN A 67 9.247 -0.663 2.675 1.00 0.00 C ATOM 1008 O GLN A 67 8.820 -1.172 3.710 1.00 0.00 O ATOM 1009 CB GLN A 67 9.202 1.444 1.265 1.00 0.00 C ATOM 1010 CG GLN A 67 7.714 1.429 0.932 1.00 0.00 C ATOM 1011 CD GLN A 67 7.364 2.332 -0.239 1.00 0.00 C ATOM 1012 OE1 GLN A 67 8.005 3.355 -0.468 1.00 0.00 O ATOM 1013 NE2 GLN A 67 6.344 1.958 -0.993 1.00 0.00 N ATOM 0 H GLN A 67 11.534 1.256 2.160 1.00 0.00 H new ATOM 0 HA GLN A 67 8.910 1.352 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.560 2.473 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.743 0.898 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.408 0.408 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.147 1.742 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.834 1.102 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.067 2.525 -1.794 1.00 0.00 H new ATOM 1022 N LEU A 68 9.532 -1.375 1.580 1.00 0.00 N ATOM 1023 CA LEU A 68 9.429 -2.844 1.555 1.00 0.00 C ATOM 1024 C LEU A 68 10.514 -3.456 0.676 1.00 0.00 C ATOM 1025 O LEU A 68 10.588 -3.167 -0.518 1.00 0.00 O ATOM 1026 CB LEU A 68 8.078 -3.354 1.010 1.00 0.00 C ATOM 1027 CG LEU A 68 6.830 -3.156 1.877 1.00 0.00 C ATOM 1028 CD1 LEU A 68 7.085 -3.514 3.335 1.00 0.00 C ATOM 1029 CD2 LEU A 68 6.304 -1.746 1.726 1.00 0.00 C ATOM 0 H LEU A 68 9.836 -0.962 0.698 1.00 0.00 H new ATOM 0 HA LEU A 68 9.536 -3.147 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.899 -2.866 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.180 -4.421 0.811 1.00 0.00 H new ATOM 0 HG LEU A 68 6.062 -3.844 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.174 -3.359 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.386 -4.559 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.878 -2.881 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.417 -1.620 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.070 -1.036 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.045 -1.564 0.683 1.00 0.00 H new ATOM 1041 N GLY A 69 11.342 -4.304 1.263 1.00 0.00 N ATOM 1042 CA GLY A 69 12.223 -5.148 0.478 1.00 0.00 C ATOM 1043 C GLY A 69 13.520 -4.485 0.058 1.00 0.00 C ATOM 1044 O GLY A 69 13.885 -3.415 0.556 1.00 0.00 O ATOM 0 H GLY A 69 11.422 -4.425 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.457 -6.043 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.691 -5.475 -0.415 1.00 0.00 H new ATOM 1048 N LEU A 70 14.207 -5.137 -0.869 1.00 0.00 N ATOM 1049 CA LEU A 70 15.516 -4.705 -1.329 1.00 0.00 C ATOM 1050 C LEU A 70 15.427 -4.071 -2.717 1.00 0.00 C ATOM 1051 O LEU A 70 14.518 -4.364 -3.495 1.00 0.00 O ATOM 1052 CB LEU A 70 16.465 -5.910 -1.362 1.00 0.00 C ATOM 1053 CG LEU A 70 17.902 -5.618 -1.796 1.00 0.00 C ATOM 1054 CD1 LEU A 70 18.587 -4.691 -0.806 1.00 0.00 C ATOM 1055 CD2 LEU A 70 18.683 -6.911 -1.936 1.00 0.00 C ATOM 0 H LEU A 70 13.869 -5.985 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 70 15.899 -3.953 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.490 -6.355 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.048 -6.658 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 70 17.872 -5.120 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 70 19.608 -4.497 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.039 -3.750 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.606 -5.159 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.704 -6.688 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.700 -7.432 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.207 -7.544 -2.685 1.00 0.00 H new ATOM 1067 N CYS A 71 16.380 -3.200 -3.004 1.00 0.00 N ATOM 1068 CA CYS A 71 16.461 -2.509 -4.283 1.00 0.00 C ATOM 1069 C CYS A 71 17.313 -3.287 -5.286 1.00 0.00 C ATOM 1070 O CYS A 71 17.987 -4.245 -4.906 1.00 0.00 O ATOM 1071 CB CYS A 71 17.027 -1.105 -4.084 1.00 0.00 C ATOM 1072 SG CYS A 71 15.759 0.147 -3.708 1.00 0.00 S ATOM 0 H CYS A 71 17.124 -2.950 -2.353 1.00 0.00 H new ATOM 0 HA CYS A 71 15.453 -2.435 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.755 -1.128 -3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.563 -0.808 -4.985 1.00 0.00 H new ATOM 1077 N PRO A 72 17.220 -2.942 -6.589 1.00 0.00 N ATOM 1078 CA PRO A 72 18.088 -3.499 -7.633 1.00 0.00 C ATOM 1079 C PRO A 72 19.537 -3.680 -7.169 1.00 0.00 C ATOM 1080 O PRO A 72 20.086 -4.781 -7.253 1.00 0.00 O ATOM 1081 CB PRO A 72 18.001 -2.447 -8.733 1.00 0.00 C ATOM 1082 CG PRO A 72 16.625 -1.887 -8.611 1.00 0.00 C ATOM 1083 CD PRO A 72 16.237 -1.995 -7.157 1.00 0.00 C ATOM 0 HA PRO A 72 17.776 -4.497 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.757 -1.673 -8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.164 -2.888 -9.717 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.600 -0.849 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.926 -2.439 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.284 -1.026 -6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.217 -2.363 -7.043 1.00 0.00 H new ATOM 1091 N LEU A 73 20.151 -2.605 -6.669 1.00 0.00 N ATOM 1092 CA LEU A 73 21.493 -2.701 -6.101 1.00 0.00 C ATOM 1093 C LEU A 73 21.431 -3.397 -4.749 1.00 0.00 C ATOM 1094 O LEU A 73 20.395 -3.426 -4.091 1.00 0.00 O ATOM 1095 CB LEU A 73 22.152 -1.332 -5.918 1.00 0.00 C ATOM 1096 CG LEU A 73 22.468 -0.523 -7.182 1.00 0.00 C ATOM 1097 CD1 LEU A 73 22.926 -1.425 -8.310 1.00 0.00 C ATOM 1098 CD2 LEU A 73 21.287 0.340 -7.599 1.00 0.00 C ATOM 0 H LEU A 73 19.744 -1.670 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 73 22.095 -3.274 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.502 -0.728 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.083 -1.478 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 73 23.292 0.150 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 73 23.143 -0.823 -9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 23.826 -1.960 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 73 22.140 -2.142 -8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.545 0.900 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.425 -0.296 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 73 21.043 1.035 -6.796 1.00 0.00 H new ATOM 1110 N LYS A 74 22.564 -3.921 -4.328 1.00 0.00 N ATOM 1111 CA LYS A 74 22.615 -4.829 -3.186 1.00 0.00 C ATOM 1112 C LYS A 74 22.692 -4.077 -1.863 1.00 0.00 C ATOM 1113 O LYS A 74 22.071 -4.471 -0.876 1.00 0.00 O ATOM 1114 CB LYS A 74 23.812 -5.772 -3.317 1.00 0.00 C ATOM 1115 CG LYS A 74 23.801 -6.909 -2.305 1.00 0.00 C ATOM 1116 CD LYS A 74 22.552 -7.763 -2.456 1.00 0.00 C ATOM 1117 CE LYS A 74 22.488 -8.866 -1.415 1.00 0.00 C ATOM 1118 NZ LYS A 74 21.263 -9.694 -1.568 1.00 0.00 N ATOM 0 H LYS A 74 23.470 -3.736 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 74 21.691 -5.407 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.826 -6.191 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.731 -5.199 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 74 24.688 -7.529 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.847 -6.502 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.668 -7.131 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.532 -8.204 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 74 23.370 -9.501 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 74 22.509 -8.427 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.253 -10.437 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.422 -9.092 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.256 -10.133 -2.511 1.00 0.00 H new ATOM 1132 N ARG A 75 23.456 -2.999 -1.847 1.00 0.00 N ATOM 1133 CA ARG A 75 23.652 -2.225 -0.629 1.00 0.00 C ATOM 1134 C ARG A 75 22.676 -1.063 -0.541 1.00 0.00 C ATOM 1135 O ARG A 75 22.820 -0.184 0.305 1.00 0.00 O ATOM 1136 CB ARG A 75 25.083 -1.714 -0.537 1.00 0.00 C ATOM 1137 CG ARG A 75 25.670 -1.293 -1.866 1.00 0.00 C ATOM 1138 CD ARG A 75 27.122 -0.911 -1.708 1.00 0.00 C ATOM 1139 NE ARG A 75 27.788 -0.750 -2.996 1.00 0.00 N ATOM 1140 CZ ARG A 75 28.846 0.034 -3.200 1.00 0.00 C ATOM 1141 NH1 ARG A 75 29.350 0.749 -2.201 1.00 0.00 N ATOM 1142 NH2 ARG A 75 29.402 0.099 -4.404 1.00 0.00 N ATOM 0 H ARG A 75 23.952 -2.638 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 75 23.461 -2.891 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 75 25.112 -0.866 0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 75 25.710 -2.494 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 75 25.579 -2.108 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 25.108 -0.450 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 75 27.193 0.019 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 75 27.637 -1.676 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 75 27.420 -1.271 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 75 28.927 0.699 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 75 30.160 1.348 -2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 75 29.019 -0.451 -5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 75 30.212 0.699 -4.560 1.00 0.00 H new ATOM 1156 N TRP A 76 21.688 -1.059 -1.415 1.00 0.00 N ATOM 1157 CA TRP A 76 20.683 -0.013 -1.407 1.00 0.00 C ATOM 1158 C TRP A 76 19.434 -0.484 -0.693 1.00 0.00 C ATOM 1159 O TRP A 76 19.168 -1.681 -0.603 1.00 0.00 O ATOM 1160 CB TRP A 76 20.317 0.406 -2.821 1.00 0.00 C ATOM 1161 CG TRP A 76 21.423 1.073 -3.570 1.00 0.00 C ATOM 1162 CD1 TRP A 76 22.726 0.683 -3.637 1.00 0.00 C ATOM 1163 CD2 TRP A 76 21.317 2.255 -4.364 1.00 0.00 C ATOM 1164 NE1 TRP A 76 23.428 1.525 -4.452 1.00 0.00 N ATOM 1165 CE2 TRP A 76 22.587 2.505 -4.905 1.00 0.00 C ATOM 1166 CE3 TRP A 76 20.271 3.123 -4.674 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 22.836 3.584 -5.742 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 20.520 4.199 -5.496 1.00 0.00 C ATOM 1169 CH2 TRP A 76 21.793 4.420 -6.025 1.00 0.00 C ATOM 0 H TRP A 76 21.560 -1.767 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 76 21.105 0.843 -0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.997 -0.475 -3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 76 19.464 1.083 -2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 76 23.144 -0.169 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 76 24.417 1.438 -4.685 1.00 0.00 H new ATOM 0 HE3 TRP A 76 19.281 2.954 -4.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 23.819 3.757 -6.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 19.719 4.882 -5.735 1.00 0.00 H new ATOM 0 HH2 TRP A 76 21.957 5.270 -6.671 1.00 0.00 H new ATOM 1180 N THR A 77 18.662 0.461 -0.208 1.00 0.00 N ATOM 1181 CA THR A 77 17.449 0.148 0.513 1.00 0.00 C ATOM 1182 C THR A 77 16.240 0.747 -0.195 1.00 0.00 C ATOM 1183 O THR A 77 16.301 1.882 -0.679 1.00 0.00 O ATOM 1184 CB THR A 77 17.528 0.701 1.946 1.00 0.00 C ATOM 1185 OG1 THR A 77 18.819 0.424 2.508 1.00 0.00 O ATOM 1186 CG2 THR A 77 16.451 0.084 2.821 1.00 0.00 C ATOM 0 H THR A 77 18.854 1.459 -0.300 1.00 0.00 H new ATOM 0 HA THR A 77 17.340 -0.936 0.549 1.00 0.00 H new ATOM 0 HB THR A 77 17.372 1.779 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 77 18.862 0.781 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.526 0.489 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.469 0.316 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.584 -0.997 2.854 1.00 0.00 H new ATOM 1194 N CYS A 78 15.152 -0.019 -0.277 1.00 0.00 N ATOM 1195 CA CYS A 78 13.903 0.504 -0.811 1.00 0.00 C ATOM 1196 C CYS A 78 13.383 1.572 0.135 1.00 0.00 C ATOM 1197 O CYS A 78 12.962 1.272 1.246 1.00 0.00 O ATOM 1198 CB CYS A 78 12.858 -0.607 -0.980 1.00 0.00 C ATOM 1199 SG CYS A 78 11.223 -0.001 -1.499 1.00 0.00 S ATOM 0 H CYS A 78 15.114 -0.995 0.018 1.00 0.00 H new ATOM 0 HA CYS A 78 14.088 0.930 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.220 -1.325 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.754 -1.143 -0.036 1.00 0.00 H new ATOM 1204 N CYS A 79 13.446 2.813 -0.293 1.00 0.00 N ATOM 1205 CA CYS A 79 13.118 3.930 0.569 1.00 0.00 C ATOM 1206 C CYS A 79 11.692 4.392 0.359 1.00 0.00 C ATOM 1207 O CYS A 79 11.189 4.424 -0.770 1.00 0.00 O ATOM 1208 CB CYS A 79 14.108 5.067 0.342 1.00 0.00 C ATOM 1209 SG CYS A 79 13.601 6.683 1.018 1.00 0.00 S ATOM 0 H CYS A 79 13.723 3.077 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 79 13.196 3.601 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 79 15.064 4.789 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 79 14.273 5.175 -0.730 1.00 0.00 H new ATOM 1214 N LYS A 80 11.054 4.758 1.456 1.00 0.00 N ATOM 1215 CA LYS A 80 9.649 5.087 1.444 1.00 0.00 C ATOM 1216 C LYS A 80 9.461 6.548 1.064 1.00 0.00 C ATOM 1217 O LYS A 80 9.521 7.430 1.918 1.00 0.00 O ATOM 1218 CB LYS A 80 9.070 4.804 2.834 1.00 0.00 C ATOM 1219 CG LYS A 80 7.575 4.517 2.869 1.00 0.00 C ATOM 1220 CD LYS A 80 6.740 5.749 2.579 1.00 0.00 C ATOM 1221 CE LYS A 80 5.316 5.558 3.058 1.00 0.00 C ATOM 1222 NZ LYS A 80 4.503 6.786 2.868 1.00 0.00 N ATOM 0 H LYS A 80 11.496 4.834 2.372 1.00 0.00 H new ATOM 0 HA LYS A 80 9.125 4.480 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.597 3.952 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.274 5.661 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.340 3.743 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.307 4.123 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.181 6.616 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.744 5.953 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.858 4.731 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.321 5.284 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.707 6.783 3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.095 7.624 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.137 6.813 1.895 1.00 0.00 H new ATOM 1236 N GLU A 81 9.227 6.764 -0.228 1.00 0.00 N ATOM 1237 CA GLU A 81 8.878 8.072 -0.789 1.00 0.00 C ATOM 1238 C GLU A 81 9.773 9.205 -0.286 1.00 0.00 C ATOM 1239 O GLU A 81 9.505 9.822 0.750 1.00 0.00 O ATOM 1240 CB GLU A 81 7.415 8.386 -0.508 1.00 0.00 C ATOM 1241 CG GLU A 81 6.463 7.391 -1.144 1.00 0.00 C ATOM 1242 CD GLU A 81 5.024 7.653 -0.767 1.00 0.00 C ATOM 1243 OE1 GLU A 81 4.553 7.074 0.234 1.00 0.00 O ATOM 1244 OE2 GLU A 81 4.350 8.430 -1.474 1.00 0.00 O ATOM 0 H GLU A 81 9.275 6.024 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 81 9.043 8.006 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.252 8.399 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.186 9.386 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.566 7.435 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.738 6.382 -0.838 1.00 0.00 H new ATOM 1251 N ILE A 82 10.820 9.487 -1.047 1.00 0.00 N ATOM 1252 CA ILE A 82 11.749 10.559 -0.719 1.00 0.00 C ATOM 1253 C ILE A 82 11.035 11.905 -0.783 1.00 0.00 C ATOM 1254 O ILE A 82 10.851 12.535 0.274 1.00 0.00 O ATOM 1255 CB ILE A 82 12.958 10.591 -1.679 1.00 0.00 C ATOM 1256 CG1 ILE A 82 13.599 9.204 -1.798 1.00 0.00 C ATOM 1257 CG2 ILE A 82 13.985 11.607 -1.195 1.00 0.00 C ATOM 1258 CD1 ILE A 82 14.747 9.148 -2.785 1.00 0.00 C ATOM 1259 OXT ILE A 82 10.635 12.314 -1.896 1.00 0.00 O ATOM 0 H ILE A 82 11.049 8.983 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 82 12.116 10.369 0.290 1.00 0.00 H new ATOM 0 HB ILE A 82 12.604 10.888 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.959 8.894 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.837 8.485 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.833 11.621 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.530 12.597 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 82 14.328 11.331 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 82 15.151 8.136 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 82 14.389 9.426 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 82 15.528 9.841 -2.474 1.00 0.00 H new