USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=21 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 Set 1.1: A 58 SER OG : rot 118:sc= -2.23! USER MOD Set 1.2: A 60 LYS NZ :NH3+ 156:sc= 0.211 (180deg=-0.523) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -158:sc= 1.4 (180deg=1.1) USER MOD Set 2.2: A 67 GLN : amide:sc= -9.79! C(o=-8.4!,f=-11!) USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.884 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 : +bothHN:sc= -0.222 K(o=-0.22,f=-10!) USER MOD Single : A 14 TYR OH : rot 52:sc= 0.0442 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.0331 (180deg=-0.255) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -74:sc= 0.475 USER MOD Single : A 35 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.369 (180deg=-1.61) USER MOD Single : A 37 THR OG1 : rot 150:sc= 0 USER MOD Single : A 42 THR OG1 : rot 56:sc= 0.0585 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) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -2.37! C(o=-2.4!,f=-4.3!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.536 F(o=-1.4,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0851) USER MOD Single : A 77 THR OG1 : rot 144:sc= 1.31 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0128 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 22 N PRO A 2 -15.031 5.087 -3.950 1.00 0.00 N ATOM 23 CA PRO A 2 -14.001 6.017 -4.437 1.00 0.00 C ATOM 24 C PRO A 2 -13.175 5.416 -5.573 1.00 0.00 C ATOM 25 O PRO A 2 -12.988 4.197 -5.633 1.00 0.00 O ATOM 26 CB PRO A 2 -13.138 6.283 -3.193 1.00 0.00 C ATOM 27 CG PRO A 2 -14.022 5.943 -2.045 1.00 0.00 C ATOM 28 CD PRO A 2 -14.865 4.799 -2.518 1.00 0.00 C ATOM 0 HA PRO A 2 -14.429 6.926 -4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.238 5.669 -3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.814 7.323 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.438 5.664 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.640 6.794 -1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.375 3.840 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.823 4.761 -1.999 1.00 0.00 H new ATOM 36 N ARG A 3 -12.672 6.292 -6.448 1.00 0.00 N ATOM 37 CA ARG A 3 -12.058 5.904 -7.728 1.00 0.00 C ATOM 38 C ARG A 3 -11.104 4.717 -7.611 1.00 0.00 C ATOM 39 O ARG A 3 -11.222 3.736 -8.344 1.00 0.00 O ATOM 40 CB ARG A 3 -11.279 7.084 -8.316 1.00 0.00 C ATOM 41 CG ARG A 3 -10.656 6.776 -9.671 1.00 0.00 C ATOM 42 CD ARG A 3 -9.601 7.799 -10.055 1.00 0.00 C ATOM 43 NE ARG A 3 -8.976 7.488 -11.341 1.00 0.00 N ATOM 44 CZ ARG A 3 -7.671 7.264 -11.506 1.00 0.00 C ATOM 45 NH1 ARG A 3 -6.856 7.228 -10.458 1.00 0.00 N ATOM 46 NH2 ARG A 3 -7.188 7.046 -12.722 1.00 0.00 N ATOM 0 H ARG A 3 -12.678 7.300 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.883 5.608 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.948 7.939 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.493 7.375 -7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.207 5.783 -9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.435 6.755 -10.433 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.056 8.788 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.835 7.838 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.576 7.439 -12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.226 7.372 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.860 7.056 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.814 7.050 -13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.191 6.874 -12.852 1.00 0.00 H new ATOM 60 N ASP A 4 -10.166 4.797 -6.688 1.00 0.00 N ATOM 61 CA ASP A 4 -9.099 3.810 -6.631 1.00 0.00 C ATOM 62 C ASP A 4 -9.284 2.837 -5.485 1.00 0.00 C ATOM 63 O ASP A 4 -8.394 2.044 -5.197 1.00 0.00 O ATOM 64 CB ASP A 4 -7.736 4.484 -6.513 1.00 0.00 C ATOM 65 CG ASP A 4 -7.348 5.236 -7.769 1.00 0.00 C ATOM 66 OD1 ASP A 4 -7.009 4.583 -8.775 1.00 0.00 O ATOM 67 OD2 ASP A 4 -7.373 6.487 -7.754 1.00 0.00 O ATOM 0 H ASP A 4 -10.118 5.524 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.144 3.249 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.748 5.174 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.979 3.730 -6.297 1.00 0.00 H new ATOM 72 N THR A 5 -10.432 2.882 -4.837 1.00 0.00 N ATOM 73 CA THR A 5 -10.713 1.942 -3.770 1.00 0.00 C ATOM 74 C THR A 5 -10.971 0.555 -4.348 1.00 0.00 C ATOM 75 O THR A 5 -10.441 -0.440 -3.853 1.00 0.00 O ATOM 76 CB THR A 5 -11.911 2.397 -2.919 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.630 3.676 -2.338 1.00 0.00 O ATOM 78 CG2 THR A 5 -12.208 1.394 -1.817 1.00 0.00 C ATOM 0 H THR A 5 -11.178 3.551 -5.028 1.00 0.00 H new ATOM 0 HA THR A 5 -9.840 1.902 -3.119 1.00 0.00 H new ATOM 0 HB THR A 5 -12.785 2.468 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.220 3.823 -1.569 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.059 1.740 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.442 0.426 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.337 1.296 -1.169 1.00 0.00 H new ATOM 86 N SER A 6 -11.748 0.500 -5.428 1.00 0.00 N ATOM 87 CA SER A 6 -12.033 -0.761 -6.100 1.00 0.00 C ATOM 88 C SER A 6 -10.764 -1.306 -6.758 1.00 0.00 C ATOM 89 O SER A 6 -10.649 -2.503 -7.024 1.00 0.00 O ATOM 90 CB SER A 6 -13.140 -0.567 -7.138 1.00 0.00 C ATOM 91 OG SER A 6 -13.553 -1.800 -7.707 1.00 0.00 O ATOM 0 H SER A 6 -12.190 1.314 -5.854 1.00 0.00 H new ATOM 0 HA SER A 6 -12.377 -1.486 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.995 -0.078 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.786 0.097 -7.927 1.00 0.00 H new ATOM 0 HG SER A 6 -14.262 -1.636 -8.364 1.00 0.00 H new ATOM 97 N ARG A 7 -9.814 -0.413 -7.015 1.00 0.00 N ATOM 98 CA ARG A 7 -8.515 -0.804 -7.541 1.00 0.00 C ATOM 99 C ARG A 7 -7.625 -1.313 -6.418 1.00 0.00 C ATOM 100 O ARG A 7 -7.008 -2.372 -6.523 1.00 0.00 O ATOM 101 CB ARG A 7 -7.836 0.383 -8.246 1.00 0.00 C ATOM 102 CG ARG A 7 -6.398 0.098 -8.670 1.00 0.00 C ATOM 103 CD ARG A 7 -5.387 0.933 -7.894 1.00 0.00 C ATOM 104 NE ARG A 7 -5.358 2.334 -8.316 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.241 3.062 -8.407 1.00 0.00 C ATOM 106 NH1 ARG A 7 -3.057 2.508 -8.178 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.313 4.338 -8.747 1.00 0.00 N ATOM 0 H ARG A 7 -9.922 0.590 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.666 -1.602 -8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.419 0.654 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.846 1.245 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.181 -0.960 -8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.290 0.299 -9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.623 0.884 -6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.394 0.501 -8.020 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.243 2.781 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.995 1.520 -7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.209 3.070 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.220 4.764 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.462 4.896 -8.817 1.00 0.00 H new ATOM 121 N CYS A 8 -7.580 -0.557 -5.336 1.00 0.00 N ATOM 122 CA CYS A 8 -6.650 -0.827 -4.256 1.00 0.00 C ATOM 123 C CYS A 8 -7.013 -2.099 -3.509 1.00 0.00 C ATOM 124 O CYS A 8 -6.132 -2.861 -3.127 1.00 0.00 O ATOM 125 CB CYS A 8 -6.624 0.328 -3.266 1.00 0.00 C ATOM 126 SG CYS A 8 -5.014 0.553 -2.455 1.00 0.00 S ATOM 0 H CYS A 8 -8.180 0.253 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.666 -0.950 -4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.891 1.248 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.385 0.160 -2.504 1.00 0.00 H new ATOM 131 N VAL A 9 -8.310 -2.321 -3.320 1.00 0.00 N ATOM 132 CA VAL A 9 -8.806 -3.433 -2.509 1.00 0.00 C ATOM 133 C VAL A 9 -8.214 -4.779 -2.950 1.00 0.00 C ATOM 134 O VAL A 9 -7.996 -5.673 -2.127 1.00 0.00 O ATOM 135 CB VAL A 9 -10.351 -3.485 -2.545 1.00 0.00 C ATOM 136 CG1 VAL A 9 -10.849 -3.617 -3.972 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.888 -4.613 -1.673 1.00 0.00 C ATOM 0 H VAL A 9 -9.046 -1.740 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.481 -3.255 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.727 -2.547 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.938 -3.652 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.512 -2.761 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.455 -4.533 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.977 -4.622 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.501 -5.566 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.571 -4.458 -0.642 1.00 0.00 H new ATOM 147 N GLY A 10 -7.938 -4.913 -4.238 1.00 0.00 N ATOM 148 CA GLY A 10 -7.336 -6.132 -4.736 1.00 0.00 C ATOM 149 C GLY A 10 -5.821 -6.076 -4.730 1.00 0.00 C ATOM 150 O GLY A 10 -5.155 -7.111 -4.712 1.00 0.00 O ATOM 0 H GLY A 10 -8.119 -4.202 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.668 -6.973 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.685 -6.317 -5.752 1.00 0.00 H new ATOM 154 N TYR A 11 -5.275 -4.869 -4.762 1.00 0.00 N ATOM 155 CA TYR A 11 -3.836 -4.678 -4.832 1.00 0.00 C ATOM 156 C TYR A 11 -3.209 -4.494 -3.453 1.00 0.00 C ATOM 157 O TYR A 11 -2.475 -5.353 -2.974 1.00 0.00 O ATOM 158 CB TYR A 11 -3.495 -3.482 -5.717 1.00 0.00 C ATOM 159 CG TYR A 11 -3.668 -3.743 -7.196 1.00 0.00 C ATOM 160 CD1 TYR A 11 -3.242 -4.937 -7.765 1.00 0.00 C ATOM 161 CD2 TYR A 11 -4.243 -2.792 -8.022 1.00 0.00 C ATOM 162 CE1 TYR A 11 -3.388 -5.173 -9.117 1.00 0.00 C ATOM 163 CE2 TYR A 11 -4.394 -3.019 -9.375 1.00 0.00 C ATOM 164 CZ TYR A 11 -3.965 -4.211 -9.919 1.00 0.00 C ATOM 165 OH TYR A 11 -4.110 -4.438 -11.270 1.00 0.00 O ATOM 0 H TYR A 11 -5.812 -4.002 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.418 -5.585 -5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.125 -2.640 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.463 -3.186 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.790 -5.692 -7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.579 -1.856 -7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.052 -6.106 -9.545 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.846 -2.267 -10.004 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.536 -3.661 -11.688 1.00 0.00 H new ATOM 175 N HIS A 12 -3.514 -3.366 -2.814 1.00 0.00 N ATOM 176 CA HIS A 12 -2.810 -2.963 -1.599 1.00 0.00 C ATOM 177 C HIS A 12 -3.749 -2.975 -0.401 1.00 0.00 C ATOM 178 O HIS A 12 -3.446 -2.379 0.633 1.00 0.00 O ATOM 179 CB HIS A 12 -2.196 -1.559 -1.737 1.00 0.00 C ATOM 180 CG HIS A 12 -1.848 -1.156 -3.137 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.402 -0.058 -3.753 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.007 -1.705 -4.042 1.00 0.00 C ATOM 183 CE1 HIS A 12 -1.925 0.048 -4.975 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.074 -0.937 -5.177 1.00 0.00 N ATOM 0 H HIS A 12 -4.241 -2.717 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.007 -3.684 -1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.897 -0.831 -1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.294 -1.511 -1.126 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -3.078 0.576 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.396 -2.584 -3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.187 0.813 -5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.550 -1.102 -6.037 1.00 0.00 H new ATOM 193 N GLY A 13 -4.887 -3.639 -0.541 1.00 0.00 N ATOM 194 CA GLY A 13 -5.786 -3.803 0.585 1.00 0.00 C ATOM 195 C GLY A 13 -6.934 -2.816 0.580 1.00 0.00 C ATOM 196 O GLY A 13 -7.172 -2.135 -0.415 1.00 0.00 O ATOM 0 H GLY A 13 -5.204 -4.066 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.187 -4.817 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.222 -3.690 1.511 1.00 0.00 H new ATOM 200 N TYR A 14 -7.648 -2.735 1.693 1.00 0.00 N ATOM 201 CA TYR A 14 -8.828 -1.882 1.787 1.00 0.00 C ATOM 202 C TYR A 14 -8.432 -0.451 2.129 1.00 0.00 C ATOM 203 O TYR A 14 -7.261 -0.160 2.337 1.00 0.00 O ATOM 204 CB TYR A 14 -9.805 -2.438 2.829 1.00 0.00 C ATOM 205 CG TYR A 14 -9.181 -2.724 4.176 1.00 0.00 C ATOM 206 CD1 TYR A 14 -8.892 -4.026 4.565 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.885 -1.697 5.059 1.00 0.00 C ATOM 208 CE1 TYR A 14 -8.327 -4.293 5.795 1.00 0.00 C ATOM 209 CE2 TYR A 14 -8.318 -1.955 6.290 1.00 0.00 C ATOM 210 CZ TYR A 14 -8.042 -3.255 6.653 1.00 0.00 C ATOM 211 OH TYR A 14 -7.476 -3.517 7.878 1.00 0.00 O ATOM 0 H TYR A 14 -7.432 -3.250 2.546 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.326 -1.873 0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.619 -1.726 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.245 -3.357 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.113 -4.842 3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.102 -0.677 4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.109 -5.311 6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.092 -1.143 6.965 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.680 -4.075 7.758 1.00 0.00 H new ATOM 221 N CYS A 15 -9.409 0.438 2.211 1.00 0.00 N ATOM 222 CA CYS A 15 -9.123 1.851 2.408 1.00 0.00 C ATOM 223 C CYS A 15 -9.858 2.405 3.622 1.00 0.00 C ATOM 224 O CYS A 15 -11.022 2.802 3.526 1.00 0.00 O ATOM 225 CB CYS A 15 -9.522 2.644 1.167 1.00 0.00 C ATOM 226 SG CYS A 15 -8.758 2.070 -0.383 1.00 0.00 S ATOM 0 H CYS A 15 -10.401 0.209 2.145 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.051 1.951 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.606 2.602 1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.257 3.690 1.321 1.00 0.00 H new ATOM 231 N ILE A 16 -9.181 2.426 4.762 1.00 0.00 N ATOM 232 CA ILE A 16 -9.756 2.991 5.975 1.00 0.00 C ATOM 233 C ILE A 16 -9.380 4.460 6.093 1.00 0.00 C ATOM 234 O ILE A 16 -8.616 4.968 5.277 1.00 0.00 O ATOM 235 CB ILE A 16 -9.327 2.226 7.246 1.00 0.00 C ATOM 236 CG1 ILE A 16 -7.804 2.140 7.352 1.00 0.00 C ATOM 237 CG2 ILE A 16 -9.952 0.842 7.254 1.00 0.00 C ATOM 238 CD1 ILE A 16 -7.320 1.375 8.567 1.00 0.00 C ATOM 0 H ILE A 16 -8.236 2.059 4.872 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.839 2.894 5.895 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.684 2.776 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.413 1.663 6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.393 3.149 7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.644 0.309 8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.038 0.933 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.623 0.289 6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.230 1.356 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.681 1.864 9.472 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.700 0.354 8.530 1.00 0.00 H new ATOM 250 N ARG A 17 -9.896 5.137 7.101 1.00 0.00 N ATOM 251 CA ARG A 17 -9.696 6.575 7.222 1.00 0.00 C ATOM 252 C ARG A 17 -8.307 6.916 7.767 1.00 0.00 C ATOM 253 O ARG A 17 -7.785 8.000 7.509 1.00 0.00 O ATOM 254 CB ARG A 17 -10.778 7.187 8.119 1.00 0.00 C ATOM 255 CG ARG A 17 -10.662 8.697 8.274 1.00 0.00 C ATOM 256 CD ARG A 17 -11.742 9.254 9.185 1.00 0.00 C ATOM 257 NE ARG A 17 -11.596 10.695 9.391 1.00 0.00 N ATOM 258 CZ ARG A 17 -12.531 11.466 9.944 1.00 0.00 C ATOM 259 NH1 ARG A 17 -13.684 10.939 10.342 1.00 0.00 N ATOM 260 NH2 ARG A 17 -12.307 12.763 10.105 1.00 0.00 N ATOM 0 H ARG A 17 -10.454 4.720 7.846 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.771 7.001 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.758 6.947 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.725 6.724 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.681 8.947 8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.733 9.170 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.722 9.047 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.703 8.744 10.148 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.726 11.136 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.856 9.940 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.397 11.533 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.420 13.168 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.022 13.355 10.528 1.00 0.00 H new ATOM 274 N SER A 18 -7.696 6.005 8.508 1.00 0.00 N ATOM 275 CA SER A 18 -6.431 6.311 9.146 1.00 0.00 C ATOM 276 C SER A 18 -5.452 5.150 9.019 1.00 0.00 C ATOM 277 O SER A 18 -5.770 4.109 8.458 1.00 0.00 O ATOM 278 CB SER A 18 -6.687 6.666 10.612 1.00 0.00 C ATOM 279 OG SER A 18 -5.498 7.070 11.274 1.00 0.00 O ATOM 0 H SER A 18 -8.050 5.064 8.679 1.00 0.00 H new ATOM 0 HA SER A 18 -5.973 7.164 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.424 7.467 10.668 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.113 5.804 11.125 1.00 0.00 H new ATOM 0 HG SER A 18 -5.702 7.290 12.207 1.00 0.00 H new ATOM 285 N LYS A 19 -4.257 5.349 9.556 1.00 0.00 N ATOM 286 CA LYS A 19 -3.163 4.403 9.438 1.00 0.00 C ATOM 287 C LYS A 19 -3.241 3.373 10.550 1.00 0.00 C ATOM 288 O LYS A 19 -2.259 2.697 10.872 1.00 0.00 O ATOM 289 CB LYS A 19 -1.832 5.144 9.525 1.00 0.00 C ATOM 290 CG LYS A 19 -1.685 6.304 8.549 1.00 0.00 C ATOM 291 CD LYS A 19 -2.559 7.501 8.904 1.00 0.00 C ATOM 292 CE LYS A 19 -2.359 8.655 7.940 1.00 0.00 C ATOM 293 NZ LYS A 19 -0.964 9.173 7.969 1.00 0.00 N ATOM 0 H LYS A 19 -4.020 6.184 10.092 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.237 3.896 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.708 5.523 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.024 4.434 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.642 6.619 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.939 5.961 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.607 7.200 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.329 7.831 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.603 8.329 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.050 9.460 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.925 10.094 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.656 9.286 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.334 8.502 7.485 1.00 0.00 H new ATOM 307 N VAL A 20 -4.420 3.282 11.134 1.00 0.00 N ATOM 308 CA VAL A 20 -4.709 2.338 12.225 1.00 0.00 C ATOM 309 C VAL A 20 -4.777 0.887 11.721 1.00 0.00 C ATOM 310 O VAL A 20 -5.581 0.084 12.200 1.00 0.00 O ATOM 311 CB VAL A 20 -6.035 2.687 12.937 1.00 0.00 C ATOM 312 CG1 VAL A 20 -6.097 2.057 14.322 1.00 0.00 C ATOM 313 CG2 VAL A 20 -6.213 4.189 13.025 1.00 0.00 C ATOM 0 H VAL A 20 -5.218 3.860 10.871 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.886 2.427 12.934 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.853 2.276 12.345 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.041 2.320 14.799 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.025 0.973 14.232 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.269 2.427 14.927 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.152 4.415 13.529 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.386 4.621 13.588 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.229 4.613 12.021 1.00 0.00 H new ATOM 323 N CYS A 21 -3.965 0.567 10.726 1.00 0.00 N ATOM 324 CA CYS A 21 -3.929 -0.769 10.155 1.00 0.00 C ATOM 325 C CYS A 21 -3.614 -1.817 11.222 1.00 0.00 C ATOM 326 O CYS A 21 -2.680 -1.652 12.013 1.00 0.00 O ATOM 327 CB CYS A 21 -2.872 -0.812 9.058 1.00 0.00 C ATOM 328 SG CYS A 21 -3.053 0.521 7.832 1.00 0.00 S ATOM 0 H CYS A 21 -3.315 1.223 10.293 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.910 -0.999 9.739 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.884 -0.746 9.513 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.925 -1.774 8.549 1.00 0.00 H new ATOM 333 N PRO A 22 -4.414 -2.896 11.271 1.00 0.00 N ATOM 334 CA PRO A 22 -4.180 -4.022 12.180 1.00 0.00 C ATOM 335 C PRO A 22 -2.978 -4.844 11.735 1.00 0.00 C ATOM 336 O PRO A 22 -2.289 -4.472 10.795 1.00 0.00 O ATOM 337 CB PRO A 22 -5.467 -4.842 12.072 1.00 0.00 C ATOM 338 CG PRO A 22 -6.003 -4.526 10.720 1.00 0.00 C ATOM 339 CD PRO A 22 -5.611 -3.102 10.437 1.00 0.00 C ATOM 0 HA PRO A 22 -3.961 -3.703 13.199 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.268 -5.908 12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.177 -4.570 12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.590 -5.200 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.086 -4.645 10.693 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.393 -2.949 9.380 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.408 -2.407 10.702 1.00 0.00 H new ATOM 347 N LYS A 23 -2.697 -5.937 12.419 1.00 0.00 N ATOM 348 CA LYS A 23 -1.573 -6.780 12.051 1.00 0.00 C ATOM 349 C LYS A 23 -2.037 -8.180 11.643 1.00 0.00 C ATOM 350 O LYS A 23 -2.963 -8.729 12.243 1.00 0.00 O ATOM 351 CB LYS A 23 -0.590 -6.864 13.222 1.00 0.00 C ATOM 352 CG LYS A 23 -0.125 -5.504 13.727 1.00 0.00 C ATOM 353 CD LYS A 23 0.278 -4.596 12.578 1.00 0.00 C ATOM 354 CE LYS A 23 0.563 -3.176 13.042 1.00 0.00 C ATOM 355 NZ LYS A 23 1.758 -3.094 13.923 1.00 0.00 N ATOM 0 H LYS A 23 -3.227 -6.261 13.228 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.075 -6.334 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.061 -7.405 14.043 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.280 -7.445 12.914 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.924 -5.035 14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.720 -5.634 14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.164 -5.002 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.517 -4.580 11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.712 -2.536 12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.305 -2.791 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.909 -2.106 14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.608 -3.682 14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.594 -3.436 13.407 1.00 0.00 H new ATOM 369 N PRO A 24 -1.404 -8.773 10.611 1.00 0.00 N ATOM 370 CA PRO A 24 -0.388 -8.098 9.800 1.00 0.00 C ATOM 371 C PRO A 24 -0.988 -7.258 8.675 1.00 0.00 C ATOM 372 O PRO A 24 -1.429 -7.798 7.665 1.00 0.00 O ATOM 373 CB PRO A 24 0.394 -9.262 9.209 1.00 0.00 C ATOM 374 CG PRO A 24 -0.606 -10.360 9.064 1.00 0.00 C ATOM 375 CD PRO A 24 -1.633 -10.158 10.154 1.00 0.00 C ATOM 0 HA PRO A 24 0.204 -7.399 10.391 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.832 -8.996 8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.215 -9.559 9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.074 -10.329 8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.127 -11.335 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.647 -10.291 9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.499 -10.873 10.966 1.00 0.00 H new ATOM 383 N PHE A 25 -0.978 -5.947 8.832 1.00 0.00 N ATOM 384 CA PHE A 25 -1.456 -5.038 7.796 1.00 0.00 C ATOM 385 C PHE A 25 -0.597 -3.788 7.811 1.00 0.00 C ATOM 386 O PHE A 25 -0.181 -3.331 8.877 1.00 0.00 O ATOM 387 CB PHE A 25 -2.933 -4.646 8.002 1.00 0.00 C ATOM 388 CG PHE A 25 -3.937 -5.727 7.724 1.00 0.00 C ATOM 389 CD1 PHE A 25 -4.825 -5.604 6.671 1.00 0.00 C ATOM 390 CD2 PHE A 25 -4.004 -6.856 8.522 1.00 0.00 C ATOM 391 CE1 PHE A 25 -5.758 -6.588 6.419 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.929 -7.843 8.273 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.809 -7.707 7.222 1.00 0.00 C ATOM 0 H PHE A 25 -0.641 -5.480 9.674 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.384 -5.550 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.061 -4.312 9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.157 -3.794 7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.788 -4.729 6.040 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.321 -6.963 9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.447 -6.482 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.965 -8.722 8.900 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.540 -8.478 7.027 1.00 0.00 H new ATOM 403 N ALA A 26 -0.325 -3.237 6.645 1.00 0.00 N ATOM 404 CA ALA A 26 0.513 -2.053 6.567 1.00 0.00 C ATOM 405 C ALA A 26 -0.228 -0.901 5.918 1.00 0.00 C ATOM 406 O ALA A 26 -0.968 -1.098 4.947 1.00 0.00 O ATOM 407 CB ALA A 26 1.798 -2.348 5.806 1.00 0.00 C ATOM 0 H ALA A 26 -0.666 -3.583 5.748 1.00 0.00 H new ATOM 0 HA ALA A 26 0.771 -1.763 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.409 -1.447 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.351 -3.136 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.555 -2.673 4.794 1.00 0.00 H new ATOM 413 N ALA A 27 -0.063 0.286 6.502 1.00 0.00 N ATOM 414 CA ALA A 27 -0.530 1.522 5.905 1.00 0.00 C ATOM 415 C ALA A 27 0.178 1.761 4.582 1.00 0.00 C ATOM 416 O ALA A 27 1.259 2.352 4.537 1.00 0.00 O ATOM 417 CB ALA A 27 -0.282 2.682 6.859 1.00 0.00 C ATOM 0 H ALA A 27 0.399 0.410 7.403 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.601 1.447 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.635 3.608 6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.819 2.507 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.785 2.762 7.064 1.00 0.00 H new ATOM 423 N PHE A 28 -0.431 1.293 3.515 1.00 0.00 N ATOM 424 CA PHE A 28 0.150 1.383 2.198 1.00 0.00 C ATOM 425 C PHE A 28 -0.366 2.622 1.492 1.00 0.00 C ATOM 426 O PHE A 28 -1.378 2.581 0.788 1.00 0.00 O ATOM 427 CB PHE A 28 -0.176 0.123 1.389 1.00 0.00 C ATOM 428 CG PHE A 28 1.009 -0.761 1.156 1.00 0.00 C ATOM 429 CD1 PHE A 28 2.136 -0.269 0.526 1.00 0.00 C ATOM 430 CD2 PHE A 28 0.992 -2.082 1.556 1.00 0.00 C ATOM 431 CE1 PHE A 28 3.231 -1.083 0.298 1.00 0.00 C ATOM 432 CE2 PHE A 28 2.078 -2.902 1.335 1.00 0.00 C ATOM 433 CZ PHE A 28 3.201 -2.402 0.704 1.00 0.00 C ATOM 0 H PHE A 28 -1.344 0.839 3.538 1.00 0.00 H new ATOM 0 HA PHE A 28 1.233 1.460 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.946 -0.445 1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.595 0.417 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.162 0.763 0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.116 -2.478 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.106 -0.688 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.051 -3.933 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.053 -3.042 0.529 1.00 0.00 H new ATOM 443 N GLY A 29 0.337 3.723 1.719 1.00 0.00 N ATOM 444 CA GLY A 29 0.025 4.979 1.074 1.00 0.00 C ATOM 445 C GLY A 29 -1.441 5.325 1.133 1.00 0.00 C ATOM 446 O GLY A 29 -2.083 5.217 2.179 1.00 0.00 O ATOM 0 H GLY A 29 1.135 3.765 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.600 5.776 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.340 4.934 0.031 1.00 0.00 H new ATOM 450 N THR A 30 -1.964 5.732 -0.003 1.00 0.00 N ATOM 451 CA THR A 30 -3.366 6.054 -0.138 1.00 0.00 C ATOM 452 C THR A 30 -3.862 5.507 -1.473 1.00 0.00 C ATOM 453 O THR A 30 -3.132 5.546 -2.469 1.00 0.00 O ATOM 454 CB THR A 30 -3.588 7.584 -0.084 1.00 0.00 C ATOM 455 OG1 THR A 30 -2.867 8.220 -1.150 1.00 0.00 O ATOM 456 CG2 THR A 30 -3.120 8.167 1.245 1.00 0.00 C ATOM 0 H THR A 30 -1.426 5.849 -0.862 1.00 0.00 H new ATOM 0 HA THR A 30 -3.920 5.604 0.686 1.00 0.00 H new ATOM 0 HB THR A 30 -4.657 7.768 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.013 9.188 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.290 9.244 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.678 7.708 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.056 7.967 1.376 1.00 0.00 H new ATOM 464 N CYS A 31 -5.071 4.962 -1.499 1.00 0.00 N ATOM 465 CA CYS A 31 -5.614 4.424 -2.731 1.00 0.00 C ATOM 466 C CYS A 31 -6.169 5.522 -3.628 1.00 0.00 C ATOM 467 O CYS A 31 -5.579 5.851 -4.653 1.00 0.00 O ATOM 468 CB CYS A 31 -6.698 3.401 -2.425 1.00 0.00 C ATOM 469 SG CYS A 31 -7.945 3.956 -1.217 1.00 0.00 S ATOM 0 H CYS A 31 -5.686 4.883 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.799 3.937 -3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.203 3.137 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.227 2.493 -2.050 1.00 0.00 H new ATOM 474 N SER A 32 -7.293 6.099 -3.235 1.00 0.00 N ATOM 475 CA SER A 32 -7.944 7.101 -4.051 1.00 0.00 C ATOM 476 C SER A 32 -7.760 8.473 -3.429 1.00 0.00 C ATOM 477 O SER A 32 -7.021 9.309 -3.944 1.00 0.00 O ATOM 478 CB SER A 32 -9.434 6.771 -4.190 1.00 0.00 C ATOM 479 OG SER A 32 -10.019 7.451 -5.286 1.00 0.00 O ATOM 0 H SER A 32 -7.769 5.889 -2.358 1.00 0.00 H new ATOM 0 HA SER A 32 -7.493 7.105 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.558 5.696 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.955 7.044 -3.272 1.00 0.00 H new ATOM 0 HG SER A 32 -10.135 8.397 -5.059 1.00 0.00 H new ATOM 485 N TRP A 33 -8.430 8.695 -2.313 1.00 0.00 N ATOM 486 CA TRP A 33 -8.301 9.946 -1.596 1.00 0.00 C ATOM 487 C TRP A 33 -7.189 9.809 -0.568 1.00 0.00 C ATOM 488 O TRP A 33 -7.019 8.751 0.034 1.00 0.00 O ATOM 489 CB TRP A 33 -9.620 10.312 -0.904 1.00 0.00 C ATOM 490 CG TRP A 33 -10.857 10.003 -1.709 1.00 0.00 C ATOM 491 CD1 TRP A 33 -12.016 9.461 -1.233 1.00 0.00 C ATOM 492 CD2 TRP A 33 -11.061 10.193 -3.121 1.00 0.00 C ATOM 493 NE1 TRP A 33 -12.927 9.317 -2.246 1.00 0.00 N ATOM 494 CE2 TRP A 33 -12.365 9.755 -3.414 1.00 0.00 C ATOM 495 CE3 TRP A 33 -10.275 10.694 -4.164 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -12.895 9.798 -4.698 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -10.807 10.733 -5.440 1.00 0.00 C ATOM 498 CH2 TRP A 33 -12.104 10.288 -5.696 1.00 0.00 C ATOM 0 H TRP A 33 -9.068 8.024 -1.885 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.059 10.743 -2.299 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.677 9.779 0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.610 11.377 -0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -12.190 9.185 -0.204 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -13.871 8.944 -2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -9.271 11.044 -3.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -13.899 9.455 -4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -10.207 11.115 -6.253 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -12.490 10.332 -6.704 1.00 0.00 H new ATOM 509 N ARG A 34 -6.431 10.877 -0.381 1.00 0.00 N ATOM 510 CA ARG A 34 -5.333 10.883 0.576 1.00 0.00 C ATOM 511 C ARG A 34 -5.870 10.803 1.997 1.00 0.00 C ATOM 512 O ARG A 34 -5.175 10.388 2.923 1.00 0.00 O ATOM 513 CB ARG A 34 -4.492 12.144 0.383 1.00 0.00 C ATOM 514 CG ARG A 34 -3.389 12.324 1.412 1.00 0.00 C ATOM 515 CD ARG A 34 -3.817 13.245 2.548 1.00 0.00 C ATOM 516 NE ARG A 34 -4.208 14.570 2.061 1.00 0.00 N ATOM 517 CZ ARG A 34 -4.494 15.605 2.855 1.00 0.00 C ATOM 518 NH1 ARG A 34 -4.421 15.479 4.174 1.00 0.00 N ATOM 519 NH2 ARG A 34 -4.843 16.770 2.326 1.00 0.00 N ATOM 0 H ARG A 34 -6.556 11.757 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.702 10.011 0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.045 12.120 -0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.149 13.013 0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.109 11.352 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.503 12.733 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.652 12.795 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.998 13.347 3.260 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.265 14.711 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.145 14.588 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.641 16.273 4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.893 16.875 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.061 17.561 2.932 1.00 0.00 H new ATOM 533 N GLN A 35 -7.113 11.222 2.142 1.00 0.00 N ATOM 534 CA GLN A 35 -7.827 11.171 3.416 1.00 0.00 C ATOM 535 C GLN A 35 -7.867 9.755 3.986 1.00 0.00 C ATOM 536 O GLN A 35 -8.013 9.568 5.190 1.00 0.00 O ATOM 537 CB GLN A 35 -9.258 11.666 3.231 1.00 0.00 C ATOM 538 CG GLN A 35 -9.345 13.000 2.517 1.00 0.00 C ATOM 539 CD GLN A 35 -10.713 13.645 2.622 1.00 0.00 C ATOM 540 OE1 GLN A 35 -10.833 14.870 2.621 1.00 0.00 O ATOM 541 NE2 GLN A 35 -11.752 12.833 2.712 1.00 0.00 N ATOM 0 H GLN A 35 -7.665 11.611 1.377 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.290 11.812 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.822 10.923 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.734 11.753 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.598 13.677 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.097 12.859 1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.611 11.823 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.694 13.217 2.784 1.00 0.00 H new ATOM 550 N LYS A 36 -7.752 8.771 3.113 1.00 0.00 N ATOM 551 CA LYS A 36 -7.827 7.375 3.520 1.00 0.00 C ATOM 552 C LYS A 36 -6.536 6.632 3.200 1.00 0.00 C ATOM 553 O LYS A 36 -5.852 6.936 2.225 1.00 0.00 O ATOM 554 CB LYS A 36 -9.016 6.695 2.838 1.00 0.00 C ATOM 555 CG LYS A 36 -9.059 6.910 1.335 1.00 0.00 C ATOM 556 CD LYS A 36 -10.482 7.033 0.811 1.00 0.00 C ATOM 557 CE LYS A 36 -11.315 5.797 1.095 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.012 5.870 2.410 1.00 0.00 N ATOM 0 H LYS A 36 -7.606 8.911 2.113 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.968 7.344 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.978 5.625 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.940 7.071 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.502 7.812 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.561 6.078 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.959 7.901 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.456 7.210 -0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.053 5.670 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.672 4.917 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.909 5.346 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.409 5.451 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.205 6.864 2.646 1.00 0.00 H new ATOM 572 N THR A 37 -6.228 5.649 4.028 1.00 0.00 N ATOM 573 CA THR A 37 -5.020 4.855 3.888 1.00 0.00 C ATOM 574 C THR A 37 -5.373 3.466 3.367 1.00 0.00 C ATOM 575 O THR A 37 -6.428 2.923 3.704 1.00 0.00 O ATOM 576 CB THR A 37 -4.293 4.734 5.245 1.00 0.00 C ATOM 577 OG1 THR A 37 -3.958 6.043 5.728 1.00 0.00 O ATOM 578 CG2 THR A 37 -3.028 3.895 5.127 1.00 0.00 C ATOM 0 H THR A 37 -6.811 5.378 4.820 1.00 0.00 H new ATOM 0 HA THR A 37 -4.357 5.350 3.179 1.00 0.00 H new ATOM 0 HB THR A 37 -4.964 4.237 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.956 6.039 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.542 3.831 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.286 2.893 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.349 4.359 4.412 1.00 0.00 H new ATOM 586 N CYS A 38 -4.510 2.901 2.536 1.00 0.00 N ATOM 587 CA CYS A 38 -4.753 1.584 1.983 1.00 0.00 C ATOM 588 C CYS A 38 -4.069 0.536 2.853 1.00 0.00 C ATOM 589 O CYS A 38 -2.871 0.602 3.069 1.00 0.00 O ATOM 590 CB CYS A 38 -4.229 1.531 0.553 1.00 0.00 C ATOM 591 SG CYS A 38 -4.862 0.137 -0.427 1.00 0.00 S ATOM 0 H CYS A 38 -3.638 3.335 2.232 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.823 1.376 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.489 2.462 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.141 1.476 0.579 1.00 0.00 H new ATOM 596 N CYS A 39 -4.826 -0.414 3.368 1.00 0.00 N ATOM 597 CA CYS A 39 -4.280 -1.383 4.306 1.00 0.00 C ATOM 598 C CYS A 39 -4.477 -2.809 3.818 1.00 0.00 C ATOM 599 O CYS A 39 -5.606 -3.299 3.735 1.00 0.00 O ATOM 600 CB CYS A 39 -4.934 -1.210 5.673 1.00 0.00 C ATOM 601 SG CYS A 39 -4.666 0.431 6.421 1.00 0.00 S ATOM 0 H CYS A 39 -5.816 -0.537 3.156 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.208 -1.201 4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.006 -1.383 5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.548 -1.973 6.348 1.00 0.00 H new ATOM 606 N VAL A 40 -3.374 -3.473 3.508 1.00 0.00 N ATOM 607 CA VAL A 40 -3.413 -4.860 3.062 1.00 0.00 C ATOM 608 C VAL A 40 -2.729 -5.749 4.084 1.00 0.00 C ATOM 609 O VAL A 40 -1.855 -5.289 4.824 1.00 0.00 O ATOM 610 CB VAL A 40 -2.731 -5.036 1.685 1.00 0.00 C ATOM 611 CG1 VAL A 40 -1.221 -4.944 1.793 1.00 0.00 C ATOM 612 CG2 VAL A 40 -3.161 -6.334 1.013 1.00 0.00 C ATOM 0 H VAL A 40 -2.437 -3.073 3.557 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.460 -5.147 2.960 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.062 -4.212 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.777 -5.072 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.944 -3.968 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.856 -5.725 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.663 -6.426 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.887 -7.179 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.241 -6.327 0.865 1.00 0.00 H new ATOM 622 N ASP A 41 -3.150 -7.005 4.150 1.00 0.00 N ATOM 623 CA ASP A 41 -2.529 -7.978 5.000 1.00 0.00 C ATOM 624 C ASP A 41 -1.118 -8.265 4.509 1.00 0.00 C ATOM 625 O ASP A 41 -0.903 -9.074 3.609 1.00 0.00 O ATOM 626 CB ASP A 41 -3.389 -9.239 5.032 1.00 0.00 C ATOM 627 CG ASP A 41 -3.803 -9.735 3.657 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.190 -10.700 3.149 1.00 0.00 O ATOM 629 OD2 ASP A 41 -4.761 -9.170 3.083 1.00 0.00 O ATOM 0 H ASP A 41 -3.935 -7.366 3.609 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.450 -7.596 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.839 -10.030 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.284 -9.042 5.621 1.00 0.00 H new ATOM 634 N THR A 42 -0.159 -7.577 5.099 1.00 0.00 N ATOM 635 CA THR A 42 1.200 -7.596 4.611 1.00 0.00 C ATOM 636 C THR A 42 2.000 -8.760 5.187 1.00 0.00 C ATOM 637 O THR A 42 2.696 -8.621 6.192 1.00 0.00 O ATOM 638 CB THR A 42 1.889 -6.262 4.955 1.00 0.00 C ATOM 639 OG1 THR A 42 1.546 -5.866 6.290 1.00 0.00 O ATOM 640 CG2 THR A 42 1.475 -5.175 3.975 1.00 0.00 C ATOM 0 H THR A 42 -0.302 -6.994 5.924 1.00 0.00 H new ATOM 0 HA THR A 42 1.165 -7.730 3.530 1.00 0.00 H new ATOM 0 HB THR A 42 2.968 -6.402 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.775 -6.586 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.973 -4.241 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.760 -5.468 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.395 -5.036 4.021 1.00 0.00 H new ATOM 648 N THR A 43 1.887 -9.914 4.545 1.00 0.00 N ATOM 649 CA THR A 43 2.713 -11.054 4.884 1.00 0.00 C ATOM 650 C THR A 43 3.658 -11.429 3.726 1.00 0.00 C ATOM 651 O THR A 43 4.877 -11.404 3.887 1.00 0.00 O ATOM 652 CB THR A 43 1.855 -12.261 5.356 1.00 0.00 C ATOM 653 OG1 THR A 43 2.686 -13.389 5.655 1.00 0.00 O ATOM 654 CG2 THR A 43 0.800 -12.658 4.332 1.00 0.00 C ATOM 0 H THR A 43 1.228 -10.081 3.785 1.00 0.00 H new ATOM 0 HA THR A 43 3.342 -10.767 5.726 1.00 0.00 H new ATOM 0 HB THR A 43 1.337 -11.941 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.127 -14.137 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.228 -13.505 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.130 -11.817 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.287 -12.936 3.397 1.00 0.00 H new ATOM 685 N PHE A 46 3.330 -7.974 0.548 1.00 0.00 N ATOM 686 CA PHE A 46 3.717 -6.665 1.087 1.00 0.00 C ATOM 687 C PHE A 46 4.883 -6.010 0.335 1.00 0.00 C ATOM 688 O PHE A 46 5.073 -4.802 0.418 1.00 0.00 O ATOM 689 CB PHE A 46 4.045 -6.757 2.579 1.00 0.00 C ATOM 690 CG PHE A 46 5.167 -7.681 2.952 1.00 0.00 C ATOM 691 CD1 PHE A 46 5.537 -8.706 2.120 1.00 0.00 C ATOM 692 CD2 PHE A 46 5.839 -7.516 4.147 1.00 0.00 C ATOM 693 CE1 PHE A 46 6.562 -9.561 2.454 1.00 0.00 C ATOM 694 CE2 PHE A 46 6.868 -8.363 4.498 1.00 0.00 C ATOM 695 CZ PHE A 46 7.234 -9.390 3.650 1.00 0.00 C ATOM 0 HA PHE A 46 2.848 -6.023 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.289 -5.758 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.147 -7.076 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.014 -8.845 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.555 -6.715 4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.840 -10.362 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.387 -8.224 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.041 -10.056 3.920 1.00 0.00 H new ATOM 705 N HIS A 47 5.642 -6.807 -0.406 1.00 0.00 N ATOM 706 CA HIS A 47 6.730 -6.309 -1.266 1.00 0.00 C ATOM 707 C HIS A 47 6.239 -5.311 -2.320 1.00 0.00 C ATOM 708 O HIS A 47 7.023 -4.822 -3.122 1.00 0.00 O ATOM 709 CB HIS A 47 7.476 -7.460 -1.940 1.00 0.00 C ATOM 710 CG HIS A 47 8.543 -8.058 -1.079 1.00 0.00 C ATOM 711 ND1 HIS A 47 9.748 -7.435 -0.840 1.00 0.00 N ATOM 712 CD2 HIS A 47 8.579 -9.219 -0.387 1.00 0.00 C ATOM 713 CE1 HIS A 47 10.478 -8.188 -0.039 1.00 0.00 C ATOM 714 NE2 HIS A 47 9.792 -9.276 0.252 1.00 0.00 N ATOM 0 H HIS A 47 5.528 -7.820 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 47 7.418 -5.778 -0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.761 -8.237 -2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.925 -7.100 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.798 -9.964 -0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.470 -7.953 0.318 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.111 -10.036 0.854 1.00 0.00 H new ATOM 723 N THR A 48 4.938 -5.050 -2.308 1.00 0.00 N ATOM 724 CA THR A 48 4.246 -4.123 -3.211 1.00 0.00 C ATOM 725 C THR A 48 4.932 -2.745 -3.381 1.00 0.00 C ATOM 726 O THR A 48 4.584 -1.996 -4.293 1.00 0.00 O ATOM 727 CB THR A 48 2.829 -3.907 -2.638 1.00 0.00 C ATOM 728 OG1 THR A 48 2.037 -5.083 -2.834 1.00 0.00 O ATOM 729 CG2 THR A 48 2.125 -2.702 -3.242 1.00 0.00 C ATOM 0 H THR A 48 4.305 -5.494 -1.643 1.00 0.00 H new ATOM 0 HA THR A 48 4.250 -4.574 -4.203 1.00 0.00 H new ATOM 0 HB THR A 48 2.945 -3.708 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.140 -4.938 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.134 -2.601 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.706 -1.802 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.030 -2.838 -4.319 1.00 0.00 H new ATOM 737 N CYS A 49 5.920 -2.439 -2.544 1.00 0.00 N ATOM 738 CA CYS A 49 6.533 -1.102 -2.479 1.00 0.00 C ATOM 739 C CYS A 49 6.704 -0.419 -3.850 1.00 0.00 C ATOM 740 O CYS A 49 6.413 0.765 -3.980 1.00 0.00 O ATOM 741 CB CYS A 49 7.889 -1.164 -1.766 1.00 0.00 C ATOM 742 SG CYS A 49 9.233 -1.943 -2.719 1.00 0.00 S ATOM 0 H CYS A 49 6.323 -3.108 -1.888 1.00 0.00 H new ATOM 0 HA CYS A 49 5.832 -0.490 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.191 -0.150 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.765 -1.710 -0.831 1.00 0.00 H new ATOM 747 N GLN A 50 7.153 -1.147 -4.869 1.00 0.00 N ATOM 748 CA GLN A 50 7.367 -0.561 -6.193 1.00 0.00 C ATOM 749 C GLN A 50 6.100 0.105 -6.748 1.00 0.00 C ATOM 750 O GLN A 50 6.185 1.118 -7.438 1.00 0.00 O ATOM 751 CB GLN A 50 7.893 -1.608 -7.187 1.00 0.00 C ATOM 752 CG GLN A 50 7.058 -2.878 -7.292 1.00 0.00 C ATOM 753 CD GLN A 50 7.233 -3.786 -6.093 1.00 0.00 C ATOM 754 OE1 GLN A 50 8.289 -3.794 -5.465 1.00 0.00 O ATOM 755 NE2 GLN A 50 6.212 -4.549 -5.765 1.00 0.00 N ATOM 0 H GLN A 50 7.376 -2.140 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 50 8.121 0.216 -6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.955 -1.150 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.908 -1.882 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.006 -2.610 -7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.336 -3.418 -8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.352 -4.513 -6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.281 -5.176 -4.964 1.00 0.00 H new ATOM 764 N ASP A 51 4.934 -0.437 -6.415 1.00 0.00 N ATOM 765 CA ASP A 51 3.668 0.093 -6.922 1.00 0.00 C ATOM 766 C ASP A 51 3.265 1.350 -6.159 1.00 0.00 C ATOM 767 O ASP A 51 2.493 2.176 -6.648 1.00 0.00 O ATOM 768 CB ASP A 51 2.566 -0.956 -6.808 1.00 0.00 C ATOM 769 CG ASP A 51 1.374 -0.626 -7.680 1.00 0.00 C ATOM 770 OD1 ASP A 51 0.389 -0.059 -7.165 1.00 0.00 O ATOM 771 OD2 ASP A 51 1.420 -0.925 -8.892 1.00 0.00 O ATOM 0 H ASP A 51 4.836 -1.242 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 51 3.806 0.350 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.963 -1.931 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.245 -1.032 -5.769 1.00 0.00 H new ATOM 776 N LYS A 52 3.798 1.486 -4.953 1.00 0.00 N ATOM 777 CA LYS A 52 3.614 2.684 -4.142 1.00 0.00 C ATOM 778 C LYS A 52 4.399 3.852 -4.713 1.00 0.00 C ATOM 779 O LYS A 52 4.285 4.984 -4.239 1.00 0.00 O ATOM 780 CB LYS A 52 4.126 2.426 -2.729 1.00 0.00 C ATOM 781 CG LYS A 52 3.063 2.073 -1.719 1.00 0.00 C ATOM 782 CD LYS A 52 2.177 3.268 -1.378 1.00 0.00 C ATOM 783 CE LYS A 52 2.977 4.470 -0.866 1.00 0.00 C ATOM 784 NZ LYS A 52 3.706 4.189 0.399 1.00 0.00 N ATOM 0 H LYS A 52 4.371 0.769 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 52 2.551 2.925 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.854 1.616 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.654 3.314 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.446 1.264 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.536 1.702 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.614 3.562 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.450 2.972 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.692 4.775 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.300 5.310 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.910 5.084 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.120 3.586 1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.598 3.700 0.184 1.00 0.00 H new ATOM 798 N GLY A 53 5.196 3.565 -5.724 1.00 0.00 N ATOM 799 CA GLY A 53 6.184 4.511 -6.165 1.00 0.00 C ATOM 800 C GLY A 53 7.466 4.290 -5.407 1.00 0.00 C ATOM 801 O GLY A 53 8.136 5.242 -5.015 1.00 0.00 O ATOM 0 H GLY A 53 5.174 2.690 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.358 4.399 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.826 5.528 -6.005 1.00 0.00 H new ATOM 805 N GLY A 54 7.776 3.014 -5.176 1.00 0.00 N ATOM 806 CA GLY A 54 8.935 2.640 -4.390 1.00 0.00 C ATOM 807 C GLY A 54 10.196 3.282 -4.898 1.00 0.00 C ATOM 808 O GLY A 54 10.662 2.993 -6.001 1.00 0.00 O ATOM 0 H GLY A 54 7.234 2.225 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.776 2.928 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.049 1.556 -4.406 1.00 0.00 H new ATOM 812 N HIS A 55 10.743 4.157 -4.086 1.00 0.00 N ATOM 813 CA HIS A 55 11.881 4.951 -4.484 1.00 0.00 C ATOM 814 C HIS A 55 13.166 4.179 -4.283 1.00 0.00 C ATOM 815 O HIS A 55 13.259 3.320 -3.412 1.00 0.00 O ATOM 816 CB HIS A 55 11.923 6.258 -3.698 1.00 0.00 C ATOM 817 CG HIS A 55 10.879 7.248 -4.113 1.00 0.00 C ATOM 818 ND1 HIS A 55 9.605 7.417 -3.693 1.00 0.00 N flip ATOM 819 CD2 HIS A 55 11.096 8.219 -5.066 1.00 0.00 C flip ATOM 820 CE1 HIS A 55 9.081 8.477 -4.389 1.00 0.00 C flip ATOM 821 NE2 HIS A 55 10.001 8.941 -5.211 1.00 0.00 N flip ATOM 0 H HIS A 55 10.414 4.337 -3.137 1.00 0.00 H new ATOM 0 HA HIS A 55 11.779 5.185 -5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.800 6.037 -2.638 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.907 6.711 -3.817 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.018 8.366 -5.609 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.080 8.867 -4.281 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.886 9.726 -5.852 1.00 0.00 H new ATOM 830 N CYS A 56 14.152 4.502 -5.081 1.00 0.00 N ATOM 831 CA CYS A 56 15.424 3.819 -5.032 1.00 0.00 C ATOM 832 C CYS A 56 16.526 4.810 -4.755 1.00 0.00 C ATOM 833 O CYS A 56 16.792 5.697 -5.567 1.00 0.00 O ATOM 834 CB CYS A 56 15.681 3.076 -6.343 1.00 0.00 C ATOM 835 SG CYS A 56 14.605 1.622 -6.573 1.00 0.00 S ATOM 0 H CYS A 56 14.098 5.242 -5.781 1.00 0.00 H new ATOM 0 HA CYS A 56 15.403 3.086 -4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.534 3.763 -7.176 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.723 2.756 -6.373 1.00 0.00 H new ATOM 840 N VAL A 57 17.146 4.686 -3.597 1.00 0.00 N ATOM 841 CA VAL A 57 18.210 5.595 -3.228 1.00 0.00 C ATOM 842 C VAL A 57 19.485 4.842 -2.901 1.00 0.00 C ATOM 843 O VAL A 57 19.462 3.797 -2.245 1.00 0.00 O ATOM 844 CB VAL A 57 17.819 6.495 -2.040 1.00 0.00 C ATOM 845 CG1 VAL A 57 16.602 7.328 -2.384 1.00 0.00 C ATOM 846 CG2 VAL A 57 17.574 5.681 -0.779 1.00 0.00 C ATOM 0 H VAL A 57 16.933 3.971 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 57 18.385 6.234 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 57 18.656 7.165 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.340 7.958 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.823 7.957 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.766 6.670 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 57 17.300 6.349 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.765 4.972 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.481 5.137 -0.515 1.00 0.00 H new ATOM 856 N SER A 58 20.583 5.363 -3.415 1.00 0.00 N ATOM 857 CA SER A 58 21.903 4.857 -3.104 1.00 0.00 C ATOM 858 C SER A 58 22.209 5.125 -1.637 1.00 0.00 C ATOM 859 O SER A 58 21.669 6.060 -1.050 1.00 0.00 O ATOM 860 CB SER A 58 22.919 5.541 -4.031 1.00 0.00 C ATOM 861 OG SER A 58 24.260 5.337 -3.617 1.00 0.00 O ATOM 0 H SER A 58 20.583 6.152 -4.062 1.00 0.00 H new ATOM 0 HA SER A 58 21.958 3.780 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.794 5.160 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.712 6.611 -4.064 1.00 0.00 H new ATOM 0 HG SER A 58 24.747 4.849 -4.313 1.00 0.00 H new ATOM 867 N PRO A 59 23.064 4.294 -1.019 1.00 0.00 N ATOM 868 CA PRO A 59 23.415 4.427 0.400 1.00 0.00 C ATOM 869 C PRO A 59 24.043 5.783 0.735 1.00 0.00 C ATOM 870 O PRO A 59 24.202 6.126 1.906 1.00 0.00 O ATOM 871 CB PRO A 59 24.421 3.292 0.643 1.00 0.00 C ATOM 872 CG PRO A 59 24.871 2.855 -0.710 1.00 0.00 C ATOM 873 CD PRO A 59 23.741 3.151 -1.651 1.00 0.00 C ATOM 0 HA PRO A 59 22.529 4.367 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.263 3.637 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 59 23.958 2.468 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 59 25.774 3.387 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.111 1.792 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 59 24.103 3.399 -2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 59 23.073 2.297 -1.758 1.00 0.00 H new ATOM 881 N LYS A 60 24.396 6.550 -0.296 1.00 0.00 N ATOM 882 CA LYS A 60 24.950 7.887 -0.104 1.00 0.00 C ATOM 883 C LYS A 60 23.842 8.938 -0.049 1.00 0.00 C ATOM 884 O LYS A 60 24.095 10.103 0.265 1.00 0.00 O ATOM 885 CB LYS A 60 25.942 8.233 -1.217 1.00 0.00 C ATOM 886 CG LYS A 60 25.346 8.209 -2.615 1.00 0.00 C ATOM 887 CD LYS A 60 26.368 8.642 -3.652 1.00 0.00 C ATOM 888 CE LYS A 60 25.798 8.609 -5.060 1.00 0.00 C ATOM 889 NZ LYS A 60 25.474 7.227 -5.502 1.00 0.00 N ATOM 0 H LYS A 60 24.308 6.267 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 60 25.479 7.889 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 60 26.353 9.225 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 60 26.774 7.530 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 60 24.992 7.204 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 60 24.480 8.869 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 60 26.712 9.651 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 27.239 7.989 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 60 24.898 9.222 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 26.516 9.051 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 24.747 7.262 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 26.331 6.773 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.117 6.679 -4.694 1.00 0.00 H new ATOM 903 N ILE A 61 22.619 8.528 -0.358 1.00 0.00 N ATOM 904 CA ILE A 61 21.474 9.423 -0.297 1.00 0.00 C ATOM 905 C ILE A 61 20.979 9.495 1.136 1.00 0.00 C ATOM 906 O ILE A 61 21.197 8.572 1.918 1.00 0.00 O ATOM 907 CB ILE A 61 20.322 8.929 -1.201 1.00 0.00 C ATOM 908 CG1 ILE A 61 20.848 8.580 -2.590 1.00 0.00 C ATOM 909 CG2 ILE A 61 19.212 9.967 -1.301 1.00 0.00 C ATOM 910 CD1 ILE A 61 21.283 9.766 -3.419 1.00 0.00 C ATOM 0 H ILE A 61 22.395 7.578 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 61 21.789 10.406 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 61 19.902 8.032 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.693 7.900 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.071 8.041 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.417 9.589 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.811 10.168 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.613 10.889 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.641 9.420 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.438 10.439 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.084 10.296 -2.904 1.00 0.00 H new ATOM 922 N ARG A 62 20.319 10.580 1.482 1.00 0.00 N ATOM 923 CA ARG A 62 19.792 10.733 2.826 1.00 0.00 C ATOM 924 C ARG A 62 18.272 10.758 2.813 1.00 0.00 C ATOM 925 O ARG A 62 17.641 11.813 2.727 1.00 0.00 O ATOM 926 CB ARG A 62 20.366 11.984 3.484 1.00 0.00 C ATOM 927 CG ARG A 62 21.830 11.825 3.845 1.00 0.00 C ATOM 928 CD ARG A 62 22.405 13.092 4.457 1.00 0.00 C ATOM 929 NE ARG A 62 22.459 14.190 3.492 1.00 0.00 N ATOM 930 CZ ARG A 62 23.543 14.932 3.264 1.00 0.00 C ATOM 931 NH1 ARG A 62 24.674 14.695 3.922 1.00 0.00 N ATOM 932 NH2 ARG A 62 23.498 15.909 2.370 1.00 0.00 N ATOM 0 H ARG A 62 20.134 11.365 0.858 1.00 0.00 H new ATOM 0 HA ARG A 62 20.099 9.871 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 62 20.251 12.832 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.795 12.213 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 62 21.943 10.999 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 62 22.398 11.564 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 62 21.798 13.390 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 62 23.408 12.890 4.833 1.00 0.00 H new ATOM 0 HE ARG A 62 21.615 14.401 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 62 24.717 13.941 4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 62 25.499 15.267 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 62 22.635 16.092 1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 62 24.326 16.478 2.194 1.00 0.00 H new ATOM 946 N CYS A 63 17.712 9.570 2.887 1.00 0.00 N ATOM 947 CA CYS A 63 16.273 9.362 2.888 1.00 0.00 C ATOM 948 C CYS A 63 15.916 8.388 3.993 1.00 0.00 C ATOM 949 O CYS A 63 16.771 7.622 4.440 1.00 0.00 O ATOM 950 CB CYS A 63 15.832 8.809 1.525 1.00 0.00 C ATOM 951 SG CYS A 63 14.068 8.346 1.414 1.00 0.00 S ATOM 0 H CYS A 63 18.249 8.705 2.949 1.00 0.00 H new ATOM 0 HA CYS A 63 15.759 10.307 3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.045 9.556 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.437 7.933 1.292 1.00 0.00 H new ATOM 956 N LEU A 64 14.679 8.423 4.466 1.00 0.00 N ATOM 957 CA LEU A 64 14.216 7.358 5.332 1.00 0.00 C ATOM 958 C LEU A 64 13.961 6.150 4.449 1.00 0.00 C ATOM 959 O LEU A 64 12.825 5.864 4.053 1.00 0.00 O ATOM 960 CB LEU A 64 12.940 7.760 6.080 1.00 0.00 C ATOM 961 CG LEU A 64 13.110 8.785 7.212 1.00 0.00 C ATOM 962 CD1 LEU A 64 14.196 8.347 8.182 1.00 0.00 C ATOM 963 CD2 LEU A 64 13.407 10.171 6.657 1.00 0.00 C ATOM 0 H LEU A 64 13.997 9.156 4.270 1.00 0.00 H new ATOM 0 HA LEU A 64 14.965 7.136 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.232 8.163 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.490 6.859 6.498 1.00 0.00 H new ATOM 0 HG LEU A 64 12.168 8.838 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.297 9.089 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.928 7.385 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.143 8.253 7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.522 10.876 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.328 10.140 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.584 10.491 6.018 1.00 0.00 H new ATOM 975 N GLU A 65 15.032 5.429 4.174 1.00 0.00 N ATOM 976 CA GLU A 65 15.024 4.418 3.138 1.00 0.00 C ATOM 977 C GLU A 65 14.572 3.064 3.649 1.00 0.00 C ATOM 978 O GLU A 65 15.387 2.264 4.087 1.00 0.00 O ATOM 979 CB GLU A 65 16.410 4.303 2.487 1.00 0.00 C ATOM 980 CG GLU A 65 17.549 4.089 3.475 1.00 0.00 C ATOM 981 CD GLU A 65 18.808 3.563 2.817 1.00 0.00 C ATOM 982 OE1 GLU A 65 19.557 4.367 2.225 1.00 0.00 O ATOM 983 OE2 GLU A 65 19.057 2.341 2.897 1.00 0.00 O ATOM 0 H GLU A 65 15.924 5.528 4.659 1.00 0.00 H new ATOM 0 HA GLU A 65 14.299 4.739 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.398 3.475 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.606 5.210 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.772 5.032 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.228 3.389 4.246 1.00 0.00 H new ATOM 990 N GLU A 66 13.261 2.845 3.597 1.00 0.00 N ATOM 991 CA GLU A 66 12.653 1.527 3.789 1.00 0.00 C ATOM 992 C GLU A 66 11.147 1.606 3.599 1.00 0.00 C ATOM 993 O GLU A 66 10.435 2.189 4.416 1.00 0.00 O ATOM 994 CB GLU A 66 12.964 0.908 5.160 1.00 0.00 C ATOM 995 CG GLU A 66 14.198 0.021 5.145 1.00 0.00 C ATOM 996 CD GLU A 66 14.199 -1.019 6.242 1.00 0.00 C ATOM 997 OE1 GLU A 66 13.457 -2.019 6.120 1.00 0.00 O ATOM 998 OE2 GLU A 66 14.951 -0.850 7.227 1.00 0.00 O ATOM 0 H GLU A 66 12.581 3.584 3.419 1.00 0.00 H new ATOM 0 HA GLU A 66 13.095 0.876 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.106 1.706 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.106 0.322 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.266 -0.480 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.087 0.644 5.244 1.00 0.00 H new ATOM 1005 N GLN A 67 10.680 1.067 2.486 1.00 0.00 N ATOM 1006 CA GLN A 67 9.257 0.937 2.234 1.00 0.00 C ATOM 1007 C GLN A 67 8.845 -0.518 2.392 1.00 0.00 C ATOM 1008 O GLN A 67 8.103 -0.853 3.312 1.00 0.00 O ATOM 1009 CB GLN A 67 8.903 1.464 0.840 1.00 0.00 C ATOM 1010 CG GLN A 67 7.407 1.540 0.566 1.00 0.00 C ATOM 1011 CD GLN A 67 7.070 2.534 -0.532 1.00 0.00 C ATOM 1012 OE1 GLN A 67 6.818 3.704 -0.275 1.00 0.00 O ATOM 1013 NE2 GLN A 67 7.040 2.080 -1.760 1.00 0.00 N ATOM 0 H GLN A 67 11.273 0.710 1.737 1.00 0.00 H new ATOM 0 HA GLN A 67 8.708 1.537 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.335 2.457 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.366 0.821 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.041 0.553 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.887 1.823 1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.254 1.100 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.802 2.706 -2.529 1.00 0.00 H new ATOM 1022 N LEU A 68 9.363 -1.383 1.521 1.00 0.00 N ATOM 1023 CA LEU A 68 9.117 -2.820 1.627 1.00 0.00 C ATOM 1024 C LEU A 68 9.882 -3.595 0.551 1.00 0.00 C ATOM 1025 O LEU A 68 9.274 -4.179 -0.349 1.00 0.00 O ATOM 1026 CB LEU A 68 7.618 -3.134 1.498 1.00 0.00 C ATOM 1027 CG LEU A 68 7.086 -4.239 2.429 1.00 0.00 C ATOM 1028 CD1 LEU A 68 8.012 -5.447 2.444 1.00 0.00 C ATOM 1029 CD2 LEU A 68 6.869 -3.706 3.840 1.00 0.00 C ATOM 0 H LEU A 68 9.955 -1.114 0.735 1.00 0.00 H new ATOM 0 HA LEU A 68 9.469 -3.132 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.056 -2.220 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.413 -3.423 0.467 1.00 0.00 H new ATOM 0 HG LEU A 68 6.123 -4.564 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.607 -6.208 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.095 -5.855 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.999 -5.145 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.493 -4.506 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.814 -3.338 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.144 -2.892 3.814 1.00 0.00 H new ATOM 1041 N GLY A 69 11.203 -3.612 0.636 1.00 0.00 N ATOM 1042 CA GLY A 69 11.971 -4.411 -0.299 1.00 0.00 C ATOM 1043 C GLY A 69 13.325 -3.825 -0.634 1.00 0.00 C ATOM 1044 O GLY A 69 13.694 -2.750 -0.147 1.00 0.00 O ATOM 0 H GLY A 69 11.752 -3.096 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.110 -5.408 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.398 -4.528 -1.219 1.00 0.00 H new ATOM 1048 N LEU A 70 14.061 -4.537 -1.475 1.00 0.00 N ATOM 1049 CA LEU A 70 15.380 -4.114 -1.907 1.00 0.00 C ATOM 1050 C LEU A 70 15.319 -3.711 -3.383 1.00 0.00 C ATOM 1051 O LEU A 70 14.642 -4.352 -4.188 1.00 0.00 O ATOM 1052 CB LEU A 70 16.383 -5.257 -1.675 1.00 0.00 C ATOM 1053 CG LEU A 70 17.838 -4.838 -1.433 1.00 0.00 C ATOM 1054 CD1 LEU A 70 18.619 -5.986 -0.823 1.00 0.00 C ATOM 1055 CD2 LEU A 70 18.499 -4.398 -2.725 1.00 0.00 C ATOM 0 H LEU A 70 13.758 -5.425 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 70 15.712 -3.251 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.047 -5.840 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.356 -5.919 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 70 17.836 -3.996 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 70 19.651 -5.676 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.167 -6.269 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.602 -6.839 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.530 -4.106 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.487 -5.222 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.956 -3.549 -3.141 1.00 0.00 H new ATOM 1067 N CYS A 71 16.023 -2.645 -3.721 1.00 0.00 N ATOM 1068 CA CYS A 71 15.960 -2.048 -5.052 1.00 0.00 C ATOM 1069 C CYS A 71 16.843 -2.771 -6.067 1.00 0.00 C ATOM 1070 O CYS A 71 17.653 -3.615 -5.692 1.00 0.00 O ATOM 1071 CB CYS A 71 16.336 -0.574 -4.976 1.00 0.00 C ATOM 1072 SG CYS A 71 14.912 0.519 -4.671 1.00 0.00 S ATOM 0 H CYS A 71 16.657 -2.165 -3.082 1.00 0.00 H new ATOM 0 HA CYS A 71 14.933 -2.149 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.069 -0.434 -4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 71 16.817 -0.280 -5.909 1.00 0.00 H new ATOM 1077 N PRO A 72 16.618 -2.513 -7.377 1.00 0.00 N ATOM 1078 CA PRO A 72 17.450 -3.034 -8.468 1.00 0.00 C ATOM 1079 C PRO A 72 18.936 -3.124 -8.118 1.00 0.00 C ATOM 1080 O PRO A 72 19.547 -4.184 -8.264 1.00 0.00 O ATOM 1081 CB PRO A 72 17.219 -2.003 -9.562 1.00 0.00 C ATOM 1082 CG PRO A 72 15.795 -1.603 -9.388 1.00 0.00 C ATOM 1083 CD PRO A 72 15.499 -1.706 -7.911 1.00 0.00 C ATOM 0 HA PRO A 72 17.184 -4.057 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.889 -1.150 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.397 -2.425 -10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.631 -0.587 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.136 -2.254 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.457 -0.723 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.538 -2.187 -7.729 1.00 0.00 H new ATOM 1091 N LEU A 73 19.523 -2.019 -7.666 1.00 0.00 N ATOM 1092 CA LEU A 73 20.907 -2.049 -7.209 1.00 0.00 C ATOM 1093 C LEU A 73 20.973 -2.701 -5.841 1.00 0.00 C ATOM 1094 O LEU A 73 20.039 -2.624 -5.050 1.00 0.00 O ATOM 1095 CB LEU A 73 21.531 -0.659 -7.109 1.00 0.00 C ATOM 1096 CG LEU A 73 21.698 0.142 -8.403 1.00 0.00 C ATOM 1097 CD1 LEU A 73 22.123 -0.756 -9.543 1.00 0.00 C ATOM 1098 CD2 LEU A 73 20.438 0.923 -8.745 1.00 0.00 C ATOM 0 H LEU A 73 19.070 -1.107 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 73 21.470 -2.617 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 73 20.923 -0.067 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.515 -0.765 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 73 22.491 0.872 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 73 22.235 -0.163 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 73 23.074 -1.229 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 73 21.367 -1.524 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.594 1.479 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.605 0.232 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.211 1.619 -7.937 1.00 0.00 H new ATOM 1110 N LYS A 74 22.117 -3.283 -5.559 1.00 0.00 N ATOM 1111 CA LYS A 74 22.274 -4.186 -4.423 1.00 0.00 C ATOM 1112 C LYS A 74 22.335 -3.434 -3.097 1.00 0.00 C ATOM 1113 O LYS A 74 21.885 -3.939 -2.069 1.00 0.00 O ATOM 1114 CB LYS A 74 23.533 -5.043 -4.603 1.00 0.00 C ATOM 1115 CG LYS A 74 23.821 -5.969 -3.431 1.00 0.00 C ATOM 1116 CD LYS A 74 22.712 -6.989 -3.228 1.00 0.00 C ATOM 1117 CE LYS A 74 22.883 -7.745 -1.919 1.00 0.00 C ATOM 1118 NZ LYS A 74 24.215 -8.399 -1.817 1.00 0.00 N ATOM 0 H LYS A 74 22.968 -3.149 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 74 21.396 -4.831 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.427 -5.641 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.390 -4.386 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 74 24.764 -6.488 -3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.942 -5.378 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.746 -6.484 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.708 -7.694 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.754 -7.056 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 74 22.102 -8.500 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.232 -9.024 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.393 -8.959 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.952 -7.672 -1.719 1.00 0.00 H new ATOM 1132 N ARG A 75 22.890 -2.237 -3.115 1.00 0.00 N ATOM 1133 CA ARG A 75 23.061 -1.469 -1.892 1.00 0.00 C ATOM 1134 C ARG A 75 22.005 -0.381 -1.778 1.00 0.00 C ATOM 1135 O ARG A 75 22.081 0.486 -0.909 1.00 0.00 O ATOM 1136 CB ARG A 75 24.462 -0.866 -1.842 1.00 0.00 C ATOM 1137 CG ARG A 75 25.559 -1.917 -1.837 1.00 0.00 C ATOM 1138 CD ARG A 75 26.934 -1.284 -1.763 1.00 0.00 C ATOM 1139 NE ARG A 75 27.251 -0.498 -2.955 1.00 0.00 N ATOM 1140 CZ ARG A 75 28.299 0.318 -3.045 1.00 0.00 C ATOM 1141 NH1 ARG A 75 29.108 0.480 -2.005 1.00 0.00 N ATOM 1142 NH2 ARG A 75 28.539 0.973 -4.172 1.00 0.00 N ATOM 0 H ARG A 75 23.230 -1.775 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 75 22.938 -2.143 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 24.600 -0.209 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 75 24.554 -0.248 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 75 25.419 -2.586 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 75 25.485 -2.526 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 75 26.989 -0.643 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 75 27.684 -2.065 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 75 26.634 -0.580 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 75 28.927 -0.021 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 75 29.911 1.106 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 75 27.920 0.853 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 75 29.343 1.597 -4.238 1.00 0.00 H new ATOM 1156 N TRP A 76 21.016 -0.436 -2.657 1.00 0.00 N ATOM 1157 CA TRP A 76 19.935 0.533 -2.643 1.00 0.00 C ATOM 1158 C TRP A 76 18.709 -0.060 -1.977 1.00 0.00 C ATOM 1159 O TRP A 76 18.317 -1.195 -2.260 1.00 0.00 O ATOM 1160 CB TRP A 76 19.556 0.967 -4.057 1.00 0.00 C ATOM 1161 CG TRP A 76 20.632 1.689 -4.804 1.00 0.00 C ATOM 1162 CD1 TRP A 76 21.953 1.370 -4.863 1.00 0.00 C ATOM 1163 CD2 TRP A 76 20.464 2.849 -5.616 1.00 0.00 C ATOM 1164 NE1 TRP A 76 22.610 2.241 -5.689 1.00 0.00 N ATOM 1165 CE2 TRP A 76 21.717 3.163 -6.160 1.00 0.00 C ATOM 1166 CE3 TRP A 76 19.371 3.647 -5.939 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 21.901 4.240 -7.017 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 19.553 4.721 -6.778 1.00 0.00 C ATOM 1169 CH2 TRP A 76 20.811 5.009 -7.314 1.00 0.00 C ATOM 0 H TRP A 76 20.941 -1.143 -3.389 1.00 0.00 H new ATOM 0 HA TRP A 76 20.285 1.402 -2.086 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.268 0.084 -4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 76 18.678 1.611 -4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.416 0.549 -4.335 1.00 0.00 H new ATOM 0 HE1 TRP A 76 23.604 2.208 -5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.394 3.426 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 22.872 4.462 -7.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.712 5.351 -7.026 1.00 0.00 H new ATOM 0 HH2 TRP A 76 20.924 5.855 -7.975 1.00 0.00 H new ATOM 1180 N THR A 77 18.099 0.705 -1.106 1.00 0.00 N ATOM 1181 CA THR A 77 16.893 0.263 -0.435 1.00 0.00 C ATOM 1182 C THR A 77 15.655 0.841 -1.115 1.00 0.00 C ATOM 1183 O THR A 77 15.663 1.991 -1.562 1.00 0.00 O ATOM 1184 CB THR A 77 16.901 0.680 1.047 1.00 0.00 C ATOM 1185 OG1 THR A 77 18.103 0.222 1.682 1.00 0.00 O ATOM 1186 CG2 THR A 77 15.692 0.114 1.774 1.00 0.00 C ATOM 0 H THR A 77 18.415 1.638 -0.842 1.00 0.00 H new ATOM 0 HA THR A 77 16.863 -0.825 -0.497 1.00 0.00 H new ATOM 0 HB THR A 77 16.859 1.768 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 77 18.403 0.889 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.719 0.422 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.780 0.488 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.709 -0.974 1.716 1.00 0.00 H new ATOM 1194 N CYS A 78 14.602 0.029 -1.211 1.00 0.00 N ATOM 1195 CA CYS A 78 13.321 0.500 -1.713 1.00 0.00 C ATOM 1196 C CYS A 78 12.703 1.413 -0.664 1.00 0.00 C ATOM 1197 O CYS A 78 12.094 0.950 0.296 1.00 0.00 O ATOM 1198 CB CYS A 78 12.400 -0.687 -2.026 1.00 0.00 C ATOM 1199 SG CYS A 78 10.799 -0.236 -2.774 1.00 0.00 S ATOM 0 H CYS A 78 14.616 -0.956 -0.947 1.00 0.00 H new ATOM 0 HA CYS A 78 13.461 1.055 -2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.922 -1.366 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.212 -1.236 -1.103 1.00 0.00 H new ATOM 1204 N CYS A 79 12.899 2.705 -0.847 1.00 0.00 N ATOM 1205 CA CYS A 79 12.568 3.702 0.158 1.00 0.00 C ATOM 1206 C CYS A 79 11.146 4.220 -0.002 1.00 0.00 C ATOM 1207 O CYS A 79 10.612 4.286 -1.115 1.00 0.00 O ATOM 1208 CB CYS A 79 13.584 4.838 0.073 1.00 0.00 C ATOM 1209 SG CYS A 79 13.140 6.356 0.983 1.00 0.00 S ATOM 0 H CYS A 79 13.295 3.097 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 79 12.616 3.240 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 79 14.541 4.476 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 79 13.731 5.094 -0.976 1.00 0.00 H new ATOM 1214 N LYS A 80 10.538 4.590 1.120 1.00 0.00 N ATOM 1215 CA LYS A 80 9.156 5.016 1.122 1.00 0.00 C ATOM 1216 C LYS A 80 9.047 6.522 0.981 1.00 0.00 C ATOM 1217 O LYS A 80 9.188 7.256 1.959 1.00 0.00 O ATOM 1218 CB LYS A 80 8.455 4.560 2.405 1.00 0.00 C ATOM 1219 CG LYS A 80 6.970 4.888 2.427 1.00 0.00 C ATOM 1220 CD LYS A 80 6.213 4.021 3.416 1.00 0.00 C ATOM 1221 CE LYS A 80 6.584 4.339 4.855 1.00 0.00 C ATOM 1222 NZ LYS A 80 6.174 5.713 5.243 1.00 0.00 N ATOM 0 H LYS A 80 10.986 4.601 2.036 1.00 0.00 H new ATOM 0 HA LYS A 80 8.665 4.554 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.584 3.484 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.937 5.031 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.834 5.938 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.553 4.750 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.141 4.165 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.422 2.971 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.110 3.617 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.661 4.232 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.224 5.811 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.811 6.404 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.199 5.887 4.926 1.00 0.00 H new ATOM 1236 N GLU A 81 8.811 6.954 -0.253 1.00 0.00 N ATOM 1237 CA GLU A 81 8.450 8.336 -0.561 1.00 0.00 C ATOM 1238 C GLU A 81 9.471 9.333 -0.013 1.00 0.00 C ATOM 1239 O GLU A 81 9.372 9.796 1.125 1.00 0.00 O ATOM 1240 CB GLU A 81 7.050 8.624 -0.023 1.00 0.00 C ATOM 1241 CG GLU A 81 5.998 7.683 -0.597 1.00 0.00 C ATOM 1242 CD GLU A 81 4.697 7.703 0.177 1.00 0.00 C ATOM 1243 OE1 GLU A 81 4.435 6.738 0.926 1.00 0.00 O ATOM 1244 OE2 GLU A 81 3.925 8.678 0.039 1.00 0.00 O ATOM 0 H GLU A 81 8.865 6.352 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 81 8.452 8.459 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.057 8.536 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.779 9.653 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.801 7.957 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.393 6.667 -0.605 1.00 0.00 H new ATOM 1251 N ILE A 82 10.446 9.661 -0.847 1.00 0.00 N ATOM 1252 CA ILE A 82 11.529 10.558 -0.467 1.00 0.00 C ATOM 1253 C ILE A 82 10.982 11.948 -0.167 1.00 0.00 C ATOM 1254 O ILE A 82 11.045 12.377 1.002 1.00 0.00 O ATOM 1255 CB ILE A 82 12.589 10.671 -1.584 1.00 0.00 C ATOM 1256 CG1 ILE A 82 13.078 9.283 -2.009 1.00 0.00 C ATOM 1257 CG2 ILE A 82 13.759 11.524 -1.115 1.00 0.00 C ATOM 1258 CD1 ILE A 82 14.006 9.307 -3.207 1.00 0.00 C ATOM 1259 OXT ILE A 82 10.468 12.596 -1.102 1.00 0.00 O ATOM 0 H ILE A 82 10.510 9.314 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 82 11.999 10.140 0.423 1.00 0.00 H new ATOM 0 HB ILE A 82 12.129 11.151 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.594 8.816 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.215 8.658 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.499 11.596 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.402 12.522 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 82 14.214 11.066 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.312 8.290 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 82 13.487 9.744 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 82 14.887 9.904 -2.973 1.00 0.00 H new