USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 147:sc= 0.357 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -6.28! C(o=-12!,f=-9!) USER MOD Set 1.3: A 37 THR OG1 : rot 76:sc= 0.355 USER MOD Set 1.4: A 86 CYS SG : rot -144:sc= -6.23! USER MOD Set 1.5: A 89 CYS SG : rot 126:sc= 0.156 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -139:sc= -0.825! USER MOD Single : A 38 TYR OH : rot -156:sc= 0.053! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0144 (180deg=-0.187) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -60:sc= -1.2! USER MOD Single : A 88 SER OG : rot 11:sc= 1.51 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 2.744 -1.688 -5.809 1.00 0.00 N ATOM 29 CA ALA A 18 3.961 -1.720 -6.601 1.00 0.00 C ATOM 30 C ALA A 18 4.730 -3.007 -6.295 1.00 0.00 C ATOM 31 O ALA A 18 5.111 -3.739 -7.207 1.00 0.00 O ATOM 32 CB ALA A 18 4.789 -0.465 -6.318 1.00 0.00 C ATOM 0 HA ALA A 18 3.726 -1.721 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.702 -0.490 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.209 0.420 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.046 -0.430 -5.259 1.00 0.00 H new ATOM 38 N VAL A 19 4.936 -3.243 -5.008 1.00 0.00 N ATOM 39 CA VAL A 19 5.652 -4.429 -4.569 1.00 0.00 C ATOM 40 C VAL A 19 4.942 -5.675 -5.102 1.00 0.00 C ATOM 41 O VAL A 19 5.553 -6.501 -5.779 1.00 0.00 O ATOM 42 CB VAL A 19 5.789 -4.425 -3.046 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.416 -4.377 -2.372 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.594 -5.633 -2.564 1.00 0.00 C ATOM 0 H VAL A 19 4.619 -2.633 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 19 6.665 -4.434 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 19 6.334 -3.525 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.542 -4.375 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.892 -3.472 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.835 -5.250 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.676 -5.605 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.089 -6.551 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.591 -5.605 -3.004 1.00 0.00 H new ATOM 54 N TYR A 20 3.661 -5.772 -4.777 1.00 0.00 N ATOM 55 CA TYR A 20 2.861 -6.903 -5.214 1.00 0.00 C ATOM 56 C TYR A 20 2.993 -7.117 -6.723 1.00 0.00 C ATOM 57 O TYR A 20 2.825 -8.233 -7.213 1.00 0.00 O ATOM 58 CB TYR A 20 1.410 -6.545 -4.887 1.00 0.00 C ATOM 59 CG TYR A 20 0.914 -7.112 -3.556 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.820 -7.492 -2.587 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.440 -7.244 -3.324 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.353 -8.027 -1.334 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.907 -7.779 -2.071 1.00 0.00 C ATOM 64 CZ TYR A 20 0.012 -8.143 -1.138 1.00 0.00 C ATOM 65 OH TYR A 20 -0.429 -8.648 0.046 1.00 0.00 O ATOM 0 H TYR A 20 3.157 -5.085 -4.216 1.00 0.00 H new ATOM 0 HA TYR A 20 3.187 -7.818 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.310 -5.460 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.767 -6.910 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.880 -7.388 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.149 -6.946 -4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.051 -8.329 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.964 -7.889 -1.877 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.409 -8.672 0.047 1.00 0.00 H new ATOM 75 N ILE A 21 3.293 -6.030 -7.419 1.00 0.00 N ATOM 76 CA ILE A 21 3.450 -6.085 -8.863 1.00 0.00 C ATOM 77 C ILE A 21 4.798 -6.723 -9.201 1.00 0.00 C ATOM 78 O ILE A 21 4.867 -7.642 -10.016 1.00 0.00 O ATOM 79 CB ILE A 21 3.255 -4.696 -9.476 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.825 -4.519 -9.988 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.293 -4.429 -10.568 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.549 -5.445 -11.175 1.00 0.00 C ATOM 0 H ILE A 21 3.432 -5.106 -7.010 1.00 0.00 H new ATOM 0 HA ILE A 21 2.679 -6.715 -9.307 1.00 0.00 H new ATOM 0 HB ILE A 21 3.411 -3.952 -8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.119 -4.731 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.667 -3.483 -10.286 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.133 -3.436 -10.987 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.294 -4.485 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.193 -5.176 -11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.525 -5.299 -11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.241 -5.214 -11.985 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.684 -6.482 -10.867 1.00 0.00 H new ATOM 94 N ALA A 22 5.837 -6.211 -8.558 1.00 0.00 N ATOM 95 CA ALA A 22 7.180 -6.720 -8.781 1.00 0.00 C ATOM 96 C ALA A 22 7.213 -8.216 -8.463 1.00 0.00 C ATOM 97 O ALA A 22 7.780 -9.003 -9.220 1.00 0.00 O ATOM 98 CB ALA A 22 8.175 -5.921 -7.937 1.00 0.00 C ATOM 0 H ALA A 22 5.776 -5.449 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 22 7.468 -6.599 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.182 -6.302 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.133 -4.870 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.920 -6.021 -6.882 1.00 0.00 H new ATOM 104 N ILE A 23 6.599 -8.563 -7.341 1.00 0.00 N ATOM 105 CA ILE A 23 6.552 -9.951 -6.913 1.00 0.00 C ATOM 106 C ILE A 23 5.594 -10.727 -7.819 1.00 0.00 C ATOM 107 O ILE A 23 5.771 -11.925 -8.034 1.00 0.00 O ATOM 108 CB ILE A 23 6.201 -10.041 -5.427 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.762 -9.586 -5.174 1.00 0.00 C ATOM 110 CG2 ILE A 23 7.206 -9.261 -4.577 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.813 -10.783 -5.099 1.00 0.00 C ATOM 0 H ILE A 23 6.130 -7.907 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 23 7.533 -10.415 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 23 6.266 -11.086 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.714 -9.021 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.444 -8.915 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.933 -9.342 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.204 -9.672 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.198 -8.212 -4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.797 -10.431 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.845 -11.332 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.119 -11.440 -4.285 1.00 0.00 H new ATOM 123 N GLU A 24 4.600 -10.012 -8.327 1.00 0.00 N ATOM 124 CA GLU A 24 3.614 -10.619 -9.205 1.00 0.00 C ATOM 125 C GLU A 24 4.079 -10.537 -10.661 1.00 0.00 C ATOM 126 O GLU A 24 3.398 -11.025 -11.561 1.00 0.00 O ATOM 127 CB GLU A 24 2.244 -9.961 -9.029 1.00 0.00 C ATOM 128 CG GLU A 24 1.209 -10.591 -9.963 1.00 0.00 C ATOM 129 CD GLU A 24 -0.214 -10.275 -9.497 1.00 0.00 C ATOM 130 OE1 GLU A 24 -1.136 -10.209 -10.323 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.344 -10.096 -8.226 1.00 0.00 O ATOM 0 H GLU A 24 4.457 -9.018 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 24 3.513 -11.670 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.917 -10.065 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.321 -8.893 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.355 -10.219 -10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.353 -11.671 -9.996 1.00 0.00 H new ATOM 139 N ALA A 25 5.235 -9.917 -10.846 1.00 0.00 N ATOM 140 CA ALA A 25 5.798 -9.766 -12.177 1.00 0.00 C ATOM 141 C ALA A 25 6.215 -11.138 -12.709 1.00 0.00 C ATOM 142 O ALA A 25 6.576 -11.272 -13.877 1.00 0.00 O ATOM 143 CB ALA A 25 6.967 -8.780 -12.127 1.00 0.00 C ATOM 0 H ALA A 25 5.797 -9.513 -10.097 1.00 0.00 H new ATOM 0 HA ALA A 25 5.056 -9.358 -12.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.390 -8.666 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.612 -7.813 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.733 -9.158 -11.449 1.00 0.00 H new ATOM 149 N GLY A 26 6.151 -12.124 -11.826 1.00 0.00 N ATOM 150 CA GLY A 26 6.517 -13.482 -12.192 1.00 0.00 C ATOM 151 C GLY A 26 7.475 -14.087 -11.164 1.00 0.00 C ATOM 152 O GLY A 26 7.879 -15.242 -11.292 1.00 0.00 O ATOM 0 H GLY A 26 5.851 -12.009 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.620 -14.097 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.985 -13.484 -13.176 1.00 0.00 H new ATOM 156 N THR A 27 7.810 -13.281 -10.168 1.00 0.00 N ATOM 157 CA THR A 27 8.713 -13.723 -9.118 1.00 0.00 C ATOM 158 C THR A 27 8.173 -14.989 -8.449 1.00 0.00 C ATOM 159 O THR A 27 8.927 -15.925 -8.185 1.00 0.00 O ATOM 160 CB THR A 27 8.912 -12.560 -8.145 1.00 0.00 C ATOM 161 OG1 THR A 27 10.200 -12.048 -8.474 1.00 0.00 O ATOM 162 CG2 THR A 27 9.056 -13.027 -6.695 1.00 0.00 C ATOM 0 H THR A 27 7.473 -12.324 -10.065 1.00 0.00 H new ATOM 0 HA THR A 27 9.687 -13.997 -9.523 1.00 0.00 H new ATOM 0 HB THR A 27 8.069 -11.874 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.683 -11.823 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.195 -12.162 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.157 -13.565 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.919 -13.687 -6.609 1.00 0.00 H new ATOM 170 N LEU A 28 6.873 -14.977 -8.195 1.00 0.00 N ATOM 171 CA LEU A 28 6.224 -16.113 -7.562 1.00 0.00 C ATOM 172 C LEU A 28 4.977 -16.494 -8.362 1.00 0.00 C ATOM 173 O LEU A 28 4.614 -15.808 -9.317 1.00 0.00 O ATOM 174 CB LEU A 28 5.942 -15.816 -6.088 1.00 0.00 C ATOM 175 CG LEU A 28 5.550 -14.374 -5.757 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.029 -14.219 -5.698 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.225 -13.905 -4.467 1.00 0.00 C ATOM 0 H LEU A 28 6.251 -14.199 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 28 6.884 -16.980 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.142 -16.475 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.830 -16.072 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 28 5.908 -13.730 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.778 -13.185 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.598 -14.485 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.626 -14.876 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.930 -12.877 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.919 -14.548 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.308 -13.955 -4.584 1.00 0.00 H new ATOM 189 N ALA A 29 4.356 -17.587 -7.945 1.00 0.00 N ATOM 190 CA ALA A 29 3.157 -18.067 -8.611 1.00 0.00 C ATOM 191 C ALA A 29 2.044 -18.254 -7.577 1.00 0.00 C ATOM 192 O ALA A 29 2.304 -18.673 -6.450 1.00 0.00 O ATOM 193 CB ALA A 29 3.475 -19.359 -9.366 1.00 0.00 C ATOM 0 H ALA A 29 4.661 -18.154 -7.154 1.00 0.00 H new ATOM 0 HA ALA A 29 2.807 -17.339 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.576 -19.719 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.250 -19.166 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.827 -20.114 -8.663 1.00 0.00 H new ATOM 199 N GLU A 30 0.829 -17.934 -7.998 1.00 0.00 N ATOM 200 CA GLU A 30 -0.323 -18.062 -7.123 1.00 0.00 C ATOM 201 C GLU A 30 -1.557 -18.477 -7.927 1.00 0.00 C ATOM 202 O GLU A 30 -1.693 -18.112 -9.094 1.00 0.00 O ATOM 203 CB GLU A 30 -0.579 -16.761 -6.359 1.00 0.00 C ATOM 204 CG GLU A 30 -1.084 -15.664 -7.298 1.00 0.00 C ATOM 205 CD GLU A 30 -2.215 -14.864 -6.648 1.00 0.00 C ATOM 206 OE1 GLU A 30 -2.128 -13.630 -6.558 1.00 0.00 O ATOM 207 OE2 GLU A 30 -3.211 -15.569 -6.230 1.00 0.00 O ATOM 0 H GLU A 30 0.618 -17.586 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.112 -18.840 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.312 -16.936 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.340 -16.434 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.263 -14.995 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.437 -16.110 -8.228 1.00 0.00 H new ATOM 215 N CYS A 31 -2.424 -19.235 -7.272 1.00 0.00 N ATOM 216 CA CYS A 31 -3.642 -19.703 -7.911 1.00 0.00 C ATOM 217 C CYS A 31 -4.668 -18.569 -7.880 1.00 0.00 C ATOM 218 O CYS A 31 -4.797 -17.872 -6.875 1.00 0.00 O ATOM 219 CB CYS A 31 -4.176 -20.975 -7.248 1.00 0.00 C ATOM 220 SG CYS A 31 -2.972 -22.338 -7.449 1.00 0.00 S ATOM 0 H CYS A 31 -2.307 -19.537 -6.305 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.432 -19.972 -8.946 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.359 -20.794 -6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.131 -21.254 -7.693 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.017 -23.114 -6.407 1.00 0.00 H new ATOM 225 N GLU A 32 -5.372 -18.420 -8.992 1.00 0.00 N ATOM 226 CA GLU A 32 -6.383 -17.382 -9.104 1.00 0.00 C ATOM 227 C GLU A 32 -7.783 -17.995 -9.037 1.00 0.00 C ATOM 228 O GLU A 32 -8.759 -17.369 -9.446 1.00 0.00 O ATOM 229 CB GLU A 32 -6.199 -16.574 -10.391 1.00 0.00 C ATOM 230 CG GLU A 32 -6.643 -17.382 -11.613 1.00 0.00 C ATOM 231 CD GLU A 32 -6.125 -16.748 -12.906 1.00 0.00 C ATOM 232 OE1 GLU A 32 -4.963 -16.965 -13.281 1.00 0.00 O ATOM 233 OE2 GLU A 32 -6.977 -16.007 -13.529 1.00 0.00 O ATOM 0 H GLU A 32 -5.263 -19.001 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.267 -16.697 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.776 -15.651 -10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.153 -16.289 -10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.274 -18.404 -11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.731 -17.437 -11.641 1.00 0.00 H new ATOM 241 N VAL A 33 -7.836 -19.213 -8.518 1.00 0.00 N ATOM 242 CA VAL A 33 -9.101 -19.918 -8.392 1.00 0.00 C ATOM 243 C VAL A 33 -9.513 -19.958 -6.919 1.00 0.00 C ATOM 244 O VAL A 33 -10.699 -19.898 -6.601 1.00 0.00 O ATOM 245 CB VAL A 33 -8.989 -21.309 -9.020 1.00 0.00 C ATOM 246 CG1 VAL A 33 -9.410 -21.282 -10.491 1.00 0.00 C ATOM 247 CG2 VAL A 33 -7.573 -21.869 -8.865 1.00 0.00 C ATOM 0 H VAL A 33 -7.024 -19.730 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.887 -19.393 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.671 -21.972 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.321 -22.283 -10.913 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.444 -20.947 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.765 -20.597 -11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.521 -22.858 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.863 -21.205 -9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.325 -21.943 -7.806 1.00 0.00 H new ATOM 257 N HIS A 34 -8.509 -20.060 -6.060 1.00 0.00 N ATOM 258 CA HIS A 34 -8.752 -20.108 -4.628 1.00 0.00 C ATOM 259 C HIS A 34 -7.724 -19.239 -3.903 1.00 0.00 C ATOM 260 O HIS A 34 -6.605 -19.680 -3.644 1.00 0.00 O ATOM 261 CB HIS A 34 -8.765 -21.554 -4.128 1.00 0.00 C ATOM 262 CG HIS A 34 -7.907 -22.493 -4.943 1.00 0.00 C ATOM 263 ND1 HIS A 34 -8.180 -23.845 -5.062 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.782 -22.261 -5.678 1.00 0.00 C ATOM 265 CE1 HIS A 34 -7.253 -24.392 -5.835 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.388 -23.409 -6.215 1.00 0.00 N ATOM 0 H HIS A 34 -7.526 -20.111 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.739 -19.700 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.424 -21.573 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.792 -21.920 -4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.294 -21.305 -5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.193 -25.433 -6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.572 -23.535 -6.814 1.00 0.00 H new ATOM 274 N GLU A 35 -8.139 -18.019 -3.596 1.00 0.00 N ATOM 275 CA GLU A 35 -7.267 -17.083 -2.906 1.00 0.00 C ATOM 276 C GLU A 35 -6.748 -17.702 -1.606 1.00 0.00 C ATOM 277 O GLU A 35 -7.473 -18.425 -0.926 1.00 0.00 O ATOM 278 CB GLU A 35 -7.987 -15.761 -2.635 1.00 0.00 C ATOM 279 CG GLU A 35 -9.082 -15.939 -1.582 1.00 0.00 C ATOM 280 CD GLU A 35 -9.934 -14.674 -1.457 1.00 0.00 C ATOM 281 OE1 GLU A 35 -10.141 -14.172 -0.342 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.387 -14.210 -2.573 1.00 0.00 O ATOM 0 H GLU A 35 -9.068 -17.657 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.414 -16.868 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.269 -15.015 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.424 -15.385 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.716 -16.784 -1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.630 -16.174 -0.618 1.00 0.00 H new ATOM 290 N GLY A 36 -5.496 -17.394 -1.300 1.00 0.00 N ATOM 291 CA GLY A 36 -4.872 -17.910 -0.094 1.00 0.00 C ATOM 292 C GLY A 36 -3.754 -18.897 -0.435 1.00 0.00 C ATOM 293 O GLY A 36 -2.759 -18.986 0.283 1.00 0.00 O ATOM 0 H GLY A 36 -4.897 -16.794 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.467 -17.085 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.621 -18.403 0.525 1.00 0.00 H new ATOM 297 N THR A 37 -3.955 -19.615 -1.531 1.00 0.00 N ATOM 298 CA THR A 37 -2.976 -20.592 -1.976 1.00 0.00 C ATOM 299 C THR A 37 -1.926 -19.927 -2.868 1.00 0.00 C ATOM 300 O THR A 37 -2.246 -19.434 -3.948 1.00 0.00 O ATOM 301 CB THR A 37 -3.727 -21.732 -2.667 1.00 0.00 C ATOM 302 OG1 THR A 37 -5.063 -21.249 -2.780 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.853 -22.973 -1.781 1.00 0.00 C ATOM 0 H THR A 37 -4.782 -19.539 -2.124 1.00 0.00 H new ATOM 0 HA THR A 37 -2.424 -21.010 -1.135 1.00 0.00 H new ATOM 0 HB THR A 37 -3.213 -21.997 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.113 -20.592 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.394 -23.751 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.859 -23.336 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.396 -22.717 -0.871 1.00 0.00 H new ATOM 311 N TYR A 38 -0.693 -19.936 -2.383 1.00 0.00 N ATOM 312 CA TYR A 38 0.406 -19.340 -3.123 1.00 0.00 C ATOM 313 C TYR A 38 1.662 -20.210 -3.035 1.00 0.00 C ATOM 314 O TYR A 38 1.690 -21.193 -2.295 1.00 0.00 O ATOM 315 CB TYR A 38 0.685 -17.994 -2.451 1.00 0.00 C ATOM 316 CG TYR A 38 -0.224 -16.860 -2.929 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.572 -16.884 -2.633 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.303 -15.812 -3.657 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.428 -15.817 -3.083 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.553 -14.745 -4.106 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.876 -14.800 -3.797 1.00 0.00 C ATOM 322 OH TYR A 38 -2.684 -13.792 -4.222 1.00 0.00 O ATOM 0 H TYR A 38 -0.431 -20.347 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 38 0.148 -19.236 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.571 -18.107 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.723 -17.716 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.985 -17.704 -2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.357 -15.793 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.484 -15.824 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.153 -13.919 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.283 -13.359 -5.004 1.00 0.00 H new ATOM 332 N PHE A 39 2.670 -19.817 -3.800 1.00 0.00 N ATOM 333 CA PHE A 39 3.925 -20.549 -3.818 1.00 0.00 C ATOM 334 C PHE A 39 4.950 -19.858 -4.719 1.00 0.00 C ATOM 335 O PHE A 39 4.782 -19.815 -5.937 1.00 0.00 O ATOM 336 CB PHE A 39 3.624 -21.940 -4.381 1.00 0.00 C ATOM 337 CG PHE A 39 3.402 -21.964 -5.894 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.156 -21.770 -6.402 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.452 -22.179 -6.732 1.00 0.00 C ATOM 340 CE1 PHE A 39 1.951 -21.792 -7.807 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.247 -22.201 -8.137 1.00 0.00 C ATOM 342 CZ PHE A 39 3.000 -22.007 -8.645 1.00 0.00 C ATOM 0 H PHE A 39 2.643 -19.001 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 39 4.341 -20.599 -2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.450 -22.607 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.737 -22.336 -3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.322 -21.599 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.442 -22.333 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.961 -21.638 -8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.081 -22.372 -8.802 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.843 -22.024 -9.713 1.00 0.00 H new ATOM 352 N SER A 40 5.989 -19.334 -4.086 1.00 0.00 N ATOM 353 CA SER A 40 7.041 -18.647 -4.816 1.00 0.00 C ATOM 354 C SER A 40 8.050 -19.661 -5.358 1.00 0.00 C ATOM 355 O SER A 40 8.211 -20.744 -4.796 1.00 0.00 O ATOM 356 CB SER A 40 7.746 -17.619 -3.928 1.00 0.00 C ATOM 357 OG SER A 40 8.579 -18.239 -2.952 1.00 0.00 O ATOM 0 H SER A 40 6.125 -19.371 -3.076 1.00 0.00 H new ATOM 0 HA SER A 40 6.586 -18.115 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.347 -16.955 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.001 -17.000 -3.428 1.00 0.00 H new ATOM 0 HG SER A 40 9.012 -17.550 -2.407 1.00 0.00 H new ATOM 363 N ASP A 41 8.704 -19.275 -6.444 1.00 0.00 N ATOM 364 CA ASP A 41 9.693 -20.137 -7.068 1.00 0.00 C ATOM 365 C ASP A 41 10.513 -20.836 -5.982 1.00 0.00 C ATOM 366 O ASP A 41 11.497 -20.285 -5.491 1.00 0.00 O ATOM 367 CB ASP A 41 10.656 -19.329 -7.941 1.00 0.00 C ATOM 368 CG ASP A 41 11.152 -18.023 -7.317 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.694 -17.149 -8.011 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.962 -17.919 -6.046 1.00 0.00 O ATOM 0 H ASP A 41 8.568 -18.377 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 41 9.165 -20.861 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.519 -19.952 -8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.161 -19.099 -8.885 1.00 0.00 H new ATOM 376 N SER A 42 10.076 -22.038 -5.637 1.00 0.00 N ATOM 377 CA SER A 42 10.758 -22.818 -4.618 1.00 0.00 C ATOM 378 C SER A 42 12.090 -23.338 -5.160 1.00 0.00 C ATOM 379 O SER A 42 12.164 -23.800 -6.298 1.00 0.00 O ATOM 380 CB SER A 42 9.887 -23.983 -4.142 1.00 0.00 C ATOM 381 OG SER A 42 9.549 -24.866 -5.208 1.00 0.00 O ATOM 0 H SER A 42 9.258 -22.491 -6.045 1.00 0.00 H new ATOM 0 HA SER A 42 10.950 -22.170 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.415 -24.537 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.975 -23.593 -3.691 1.00 0.00 H new ATOM 0 HG SER A 42 8.994 -25.597 -4.864 1.00 0.00 H new ATOM 387 N GLY A 43 13.111 -23.245 -4.321 1.00 0.00 N ATOM 388 CA GLY A 43 14.438 -23.700 -4.702 1.00 0.00 C ATOM 389 C GLY A 43 15.390 -22.517 -4.888 1.00 0.00 C ATOM 390 O GLY A 43 16.599 -22.654 -4.706 1.00 0.00 O ATOM 0 H GLY A 43 13.046 -22.861 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.830 -24.370 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.378 -24.273 -5.628 1.00 0.00 H new ATOM 394 N ASP A 44 14.810 -21.382 -5.250 1.00 0.00 N ATOM 395 CA ASP A 44 15.592 -20.177 -5.463 1.00 0.00 C ATOM 396 C ASP A 44 14.777 -18.960 -5.021 1.00 0.00 C ATOM 397 O ASP A 44 14.132 -18.309 -5.841 1.00 0.00 O ATOM 398 CB ASP A 44 15.940 -20.000 -6.943 1.00 0.00 C ATOM 399 CG ASP A 44 17.300 -19.354 -7.215 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.748 -18.471 -6.468 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.915 -19.798 -8.258 1.00 0.00 O ATOM 0 H ASP A 44 13.807 -21.272 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 44 16.511 -20.266 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.916 -20.977 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.166 -19.393 -7.413 1.00 0.00 H new ATOM 407 N ILE A 45 14.833 -18.689 -3.725 1.00 0.00 N ATOM 408 CA ILE A 45 14.108 -17.562 -3.164 1.00 0.00 C ATOM 409 C ILE A 45 14.784 -16.260 -3.597 1.00 0.00 C ATOM 410 O ILE A 45 14.124 -15.231 -3.737 1.00 0.00 O ATOM 411 CB ILE A 45 13.976 -17.712 -1.647 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.786 -18.603 -1.285 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.895 -16.344 -0.966 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.485 -17.799 -1.259 1.00 0.00 C ATOM 0 H ILE A 45 15.369 -19.231 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 45 13.088 -17.535 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 45 14.873 -18.206 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.702 -19.414 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.954 -19.061 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.802 -16.479 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.799 -15.775 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.027 -15.802 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.656 -18.457 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.563 -17.004 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.307 -17.362 -2.242 1.00 0.00 H new ATOM 426 N SER A 46 16.090 -16.347 -3.796 1.00 0.00 N ATOM 427 CA SER A 46 16.863 -15.188 -4.211 1.00 0.00 C ATOM 428 C SER A 46 16.518 -14.818 -5.655 1.00 0.00 C ATOM 429 O SER A 46 16.672 -13.667 -6.059 1.00 0.00 O ATOM 430 CB SER A 46 18.364 -15.448 -4.073 1.00 0.00 C ATOM 431 OG SER A 46 18.795 -15.383 -2.716 1.00 0.00 O ATOM 0 H SER A 46 16.633 -17.202 -3.678 1.00 0.00 H new ATOM 0 HA SER A 46 16.605 -14.354 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.601 -16.430 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.915 -14.716 -4.664 1.00 0.00 H new ATOM 0 HG SER A 46 19.758 -15.556 -2.670 1.00 0.00 H new ATOM 437 N GLU A 47 16.059 -15.817 -6.394 1.00 0.00 N ATOM 438 CA GLU A 47 15.692 -15.612 -7.785 1.00 0.00 C ATOM 439 C GLU A 47 14.463 -14.705 -7.881 1.00 0.00 C ATOM 440 O GLU A 47 14.269 -14.022 -8.886 1.00 0.00 O ATOM 441 CB GLU A 47 15.443 -16.948 -8.489 1.00 0.00 C ATOM 442 CG GLU A 47 15.005 -16.730 -9.939 1.00 0.00 C ATOM 443 CD GLU A 47 15.349 -17.944 -10.804 1.00 0.00 C ATOM 444 OE1 GLU A 47 14.706 -18.997 -10.679 1.00 0.00 O ATOM 445 OE2 GLU A 47 16.322 -17.765 -11.631 1.00 0.00 O ATOM 0 H GLU A 47 15.933 -16.771 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 47 16.523 -15.121 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.351 -17.550 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.676 -17.508 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.931 -16.546 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.494 -15.842 -10.341 1.00 0.00 H new ATOM 453 N ALA A 48 13.667 -14.727 -6.823 1.00 0.00 N ATOM 454 CA ALA A 48 12.463 -13.915 -6.775 1.00 0.00 C ATOM 455 C ALA A 48 12.852 -12.437 -6.700 1.00 0.00 C ATOM 456 O ALA A 48 12.356 -11.620 -7.474 1.00 0.00 O ATOM 457 CB ALA A 48 11.599 -14.351 -5.590 1.00 0.00 C ATOM 0 H ALA A 48 13.832 -15.295 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 48 11.870 -14.055 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.696 -13.742 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.325 -15.400 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.160 -14.223 -4.664 1.00 0.00 H new ATOM 463 N GLU A 49 13.737 -12.138 -5.760 1.00 0.00 N ATOM 464 CA GLU A 49 14.199 -10.773 -5.574 1.00 0.00 C ATOM 465 C GLU A 49 14.915 -10.278 -6.832 1.00 0.00 C ATOM 466 O GLU A 49 14.706 -9.146 -7.264 1.00 0.00 O ATOM 467 CB GLU A 49 15.108 -10.664 -4.348 1.00 0.00 C ATOM 468 CG GLU A 49 16.253 -11.676 -4.423 1.00 0.00 C ATOM 469 CD GLU A 49 17.279 -11.427 -3.315 1.00 0.00 C ATOM 470 OE1 GLU A 49 16.929 -10.879 -2.259 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.477 -11.824 -3.581 1.00 0.00 O ATOM 0 H GLU A 49 14.146 -12.818 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 49 13.331 -10.138 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.514 -9.655 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.526 -10.835 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.856 -12.687 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.740 -11.608 -5.396 1.00 0.00 H new ATOM 479 N GLU A 50 15.743 -11.152 -7.386 1.00 0.00 N ATOM 480 CA GLU A 50 16.490 -10.818 -8.586 1.00 0.00 C ATOM 481 C GLU A 50 15.558 -10.781 -9.799 1.00 0.00 C ATOM 482 O GLU A 50 15.748 -9.974 -10.708 1.00 0.00 O ATOM 483 CB GLU A 50 17.640 -11.803 -8.808 1.00 0.00 C ATOM 484 CG GLU A 50 18.583 -11.307 -9.906 1.00 0.00 C ATOM 485 CD GLU A 50 19.852 -12.160 -9.966 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.914 -13.124 -10.742 1.00 0.00 O ATOM 487 OE2 GLU A 50 20.796 -11.789 -9.169 1.00 0.00 O ATOM 0 H GLU A 50 15.913 -12.091 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 50 16.924 -9.827 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.195 -11.935 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.240 -12.779 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.074 -11.338 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.849 -10.266 -9.720 1.00 0.00 H new ATOM 495 N LEU A 51 14.571 -11.665 -9.773 1.00 0.00 N ATOM 496 CA LEU A 51 13.609 -11.743 -10.859 1.00 0.00 C ATOM 497 C LEU A 51 12.772 -10.463 -10.887 1.00 0.00 C ATOM 498 O LEU A 51 12.549 -9.886 -11.951 1.00 0.00 O ATOM 499 CB LEU A 51 12.775 -13.021 -10.744 1.00 0.00 C ATOM 500 CG LEU A 51 11.623 -13.162 -11.742 1.00 0.00 C ATOM 501 CD1 LEU A 51 10.938 -14.522 -11.600 1.00 0.00 C ATOM 502 CD2 LEU A 51 10.633 -12.004 -11.604 1.00 0.00 C ATOM 0 H LEU A 51 14.417 -12.333 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 51 14.122 -11.809 -11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.439 -13.877 -10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.365 -13.074 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 51 12.036 -13.114 -12.749 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.123 -14.596 -12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.662 -15.315 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.540 -14.625 -10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.825 -12.129 -12.324 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.222 -11.995 -10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.147 -11.062 -11.794 1.00 0.00 H new ATOM 514 N ALA A 52 12.333 -10.055 -9.706 1.00 0.00 N ATOM 515 CA ALA A 52 11.526 -8.853 -9.582 1.00 0.00 C ATOM 516 C ALA A 52 12.359 -7.639 -9.997 1.00 0.00 C ATOM 517 O ALA A 52 11.862 -6.743 -10.677 1.00 0.00 O ATOM 518 CB ALA A 52 10.999 -8.737 -8.150 1.00 0.00 C ATOM 0 H ALA A 52 12.521 -10.535 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 52 10.662 -8.901 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.394 -7.835 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.389 -9.609 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.838 -8.684 -7.457 1.00 0.00 H new ATOM 524 N ARG A 53 13.613 -7.649 -9.570 1.00 0.00 N ATOM 525 CA ARG A 53 14.521 -6.560 -9.888 1.00 0.00 C ATOM 526 C ARG A 53 14.834 -6.551 -11.386 1.00 0.00 C ATOM 527 O ARG A 53 15.144 -5.504 -11.953 1.00 0.00 O ATOM 528 CB ARG A 53 15.827 -6.683 -9.102 1.00 0.00 C ATOM 529 CG ARG A 53 16.949 -7.233 -9.985 1.00 0.00 C ATOM 530 CD ARG A 53 17.605 -6.115 -10.798 1.00 0.00 C ATOM 531 NE ARG A 53 18.945 -5.809 -10.250 1.00 0.00 N ATOM 532 CZ ARG A 53 19.947 -5.281 -10.965 1.00 0.00 C ATOM 533 NH1 ARG A 53 19.767 -4.998 -12.263 1.00 0.00 N ATOM 534 NH2 ARG A 53 21.129 -5.037 -10.384 1.00 0.00 N ATOM 0 H ARG A 53 14.022 -8.394 -9.006 1.00 0.00 H new ATOM 0 HA ARG A 53 14.030 -5.627 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.113 -5.707 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.679 -7.340 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.698 -7.723 -9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.548 -7.990 -10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.690 -6.416 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.981 -5.222 -10.773 1.00 0.00 H new ATOM 0 HE ARG A 53 19.116 -6.013 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.867 -5.185 -12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.530 -4.596 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.266 -5.253 -9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.892 -4.635 -10.929 1.00 0.00 H new ATOM 548 N GLU A 54 14.743 -7.729 -11.984 1.00 0.00 N ATOM 549 CA GLU A 54 15.013 -7.870 -13.405 1.00 0.00 C ATOM 550 C GLU A 54 13.902 -7.210 -14.224 1.00 0.00 C ATOM 551 O GLU A 54 14.172 -6.354 -15.066 1.00 0.00 O ATOM 552 CB GLU A 54 15.175 -9.343 -13.789 1.00 0.00 C ATOM 553 CG GLU A 54 16.018 -9.489 -15.057 1.00 0.00 C ATOM 554 CD GLU A 54 15.751 -10.831 -15.742 1.00 0.00 C ATOM 555 OE1 GLU A 54 15.029 -11.675 -15.190 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.322 -10.982 -16.888 1.00 0.00 O ATOM 0 H GLU A 54 14.486 -8.595 -11.511 1.00 0.00 H new ATOM 0 HA GLU A 54 15.952 -7.364 -13.628 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.646 -9.886 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.194 -9.792 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.791 -8.674 -15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.076 -9.409 -14.806 1.00 0.00 H new ATOM 564 N LYS A 55 12.677 -7.631 -13.949 1.00 0.00 N ATOM 565 CA LYS A 55 11.525 -7.091 -14.650 1.00 0.00 C ATOM 566 C LYS A 55 11.299 -5.643 -14.212 1.00 0.00 C ATOM 567 O LYS A 55 10.880 -4.807 -15.011 1.00 0.00 O ATOM 568 CB LYS A 55 10.304 -7.992 -14.449 1.00 0.00 C ATOM 569 CG LYS A 55 9.380 -7.943 -15.667 1.00 0.00 C ATOM 570 CD LYS A 55 9.802 -8.973 -16.717 1.00 0.00 C ATOM 571 CE LYS A 55 8.605 -9.420 -17.559 1.00 0.00 C ATOM 572 NZ LYS A 55 7.725 -10.315 -16.774 1.00 0.00 N ATOM 0 H LYS A 55 12.457 -8.340 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 55 11.707 -7.075 -15.725 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.629 -9.018 -14.276 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.757 -7.677 -13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.353 -8.135 -15.357 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.400 -6.944 -16.103 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.567 -8.545 -17.365 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.248 -9.837 -16.225 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.042 -8.548 -17.893 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.954 -9.936 -18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.105 -10.845 -17.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.307 -10.982 -16.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.144 -9.748 -16.124 1.00 0.00 H new ATOM 586 N PHE A 56 11.587 -5.390 -12.944 1.00 0.00 N ATOM 587 CA PHE A 56 11.421 -4.058 -12.389 1.00 0.00 C ATOM 588 C PHE A 56 12.449 -3.088 -12.976 1.00 0.00 C ATOM 589 O PHE A 56 12.156 -1.909 -13.169 1.00 0.00 O ATOM 590 CB PHE A 56 11.646 -4.170 -10.880 1.00 0.00 C ATOM 591 CG PHE A 56 11.674 -2.823 -10.154 1.00 0.00 C ATOM 592 CD1 PHE A 56 11.084 -1.735 -10.716 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.290 -2.715 -8.946 1.00 0.00 C ATOM 594 CE1 PHE A 56 11.110 -0.485 -10.041 1.00 0.00 C ATOM 595 CE2 PHE A 56 12.317 -1.466 -8.272 1.00 0.00 C ATOM 596 CZ PHE A 56 11.726 -0.377 -8.834 1.00 0.00 C ATOM 0 H PHE A 56 11.935 -6.086 -12.284 1.00 0.00 H new ATOM 0 HA PHE A 56 10.427 -3.678 -12.624 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.857 -4.787 -10.450 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.588 -4.688 -10.701 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.596 -1.821 -11.675 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.759 -3.580 -8.500 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.640 0.379 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.807 -1.380 -7.313 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.746 0.573 -8.321 1.00 0.00 H new ATOM 606 N GLU A 57 13.632 -3.620 -13.242 1.00 0.00 N ATOM 607 CA GLU A 57 14.705 -2.817 -13.803 1.00 0.00 C ATOM 608 C GLU A 57 14.429 -2.517 -15.277 1.00 0.00 C ATOM 609 O GLU A 57 14.687 -1.410 -15.748 1.00 0.00 O ATOM 610 CB GLU A 57 16.058 -3.510 -13.628 1.00 0.00 C ATOM 611 CG GLU A 57 17.126 -2.858 -14.508 1.00 0.00 C ATOM 612 CD GLU A 57 18.494 -3.505 -14.282 1.00 0.00 C ATOM 613 OE1 GLU A 57 18.691 -4.677 -14.636 1.00 0.00 O ATOM 614 OE2 GLU A 57 19.370 -2.746 -13.716 1.00 0.00 O ATOM 0 H GLU A 57 13.872 -4.598 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 57 14.746 -1.872 -13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.363 -3.461 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.966 -4.566 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.845 -2.952 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.183 -1.792 -14.287 1.00 0.00 H new ATOM 622 N LYS A 58 13.909 -3.523 -15.966 1.00 0.00 N ATOM 623 CA LYS A 58 13.596 -3.381 -17.377 1.00 0.00 C ATOM 624 C LYS A 58 12.243 -2.682 -17.527 1.00 0.00 C ATOM 625 O LYS A 58 11.749 -2.510 -18.640 1.00 0.00 O ATOM 626 CB LYS A 58 13.668 -4.737 -18.081 1.00 0.00 C ATOM 627 CG LYS A 58 12.299 -5.421 -18.096 1.00 0.00 C ATOM 628 CD LYS A 58 12.384 -6.803 -18.747 1.00 0.00 C ATOM 629 CE LYS A 58 11.035 -7.212 -19.342 1.00 0.00 C ATOM 630 NZ LYS A 58 10.913 -6.725 -20.734 1.00 0.00 N ATOM 0 H LYS A 58 13.697 -4.440 -15.572 1.00 0.00 H new ATOM 0 HA LYS A 58 14.337 -2.752 -17.870 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.022 -4.602 -19.103 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.392 -5.376 -17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.926 -5.518 -17.077 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.585 -4.802 -18.640 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.143 -6.795 -19.529 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.697 -7.539 -18.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.935 -8.297 -19.320 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.225 -6.805 -18.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.992 -7.011 -21.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.987 -5.688 -20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.675 -7.133 -21.313 1.00 0.00 H new ATOM 754 N VAL A 67 15.558 0.552 -5.588 1.00 0.00 N ATOM 755 CA VAL A 67 15.615 -0.770 -6.189 1.00 0.00 C ATOM 756 C VAL A 67 15.930 -1.804 -5.105 1.00 0.00 C ATOM 757 O VAL A 67 15.232 -2.809 -4.980 1.00 0.00 O ATOM 758 CB VAL A 67 16.627 -0.780 -7.336 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.044 -0.517 -6.821 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.562 -2.096 -8.113 1.00 0.00 C ATOM 0 HA VAL A 67 14.650 -1.035 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 67 16.365 0.027 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.743 -0.530 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.079 0.457 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 67 18.320 -1.291 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.291 -2.077 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.786 -2.926 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.562 -2.224 -8.528 1.00 0.00 H new ATOM 770 N GLU A 68 16.981 -1.521 -4.350 1.00 0.00 N ATOM 771 CA GLU A 68 17.397 -2.414 -3.282 1.00 0.00 C ATOM 772 C GLU A 68 16.274 -2.570 -2.254 1.00 0.00 C ATOM 773 O GLU A 68 16.128 -3.629 -1.645 1.00 0.00 O ATOM 774 CB GLU A 68 18.682 -1.915 -2.619 1.00 0.00 C ATOM 775 CG GLU A 68 19.891 -2.138 -3.529 1.00 0.00 C ATOM 776 CD GLU A 68 21.191 -1.754 -2.819 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.265 -1.820 -1.583 1.00 0.00 O ATOM 778 OE2 GLU A 68 22.147 -1.376 -3.599 1.00 0.00 O ATOM 0 H GLU A 68 17.557 -0.686 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 68 17.607 -3.393 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.588 -0.854 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.833 -2.436 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.934 -3.184 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.780 -1.546 -4.438 1.00 0.00 H new ATOM 786 N GLU A 69 15.511 -1.500 -2.092 1.00 0.00 N ATOM 787 CA GLU A 69 14.406 -1.504 -1.148 1.00 0.00 C ATOM 788 C GLU A 69 13.240 -2.328 -1.699 1.00 0.00 C ATOM 789 O GLU A 69 12.650 -3.133 -0.981 1.00 0.00 O ATOM 790 CB GLU A 69 13.962 -0.078 -0.817 1.00 0.00 C ATOM 791 CG GLU A 69 12.821 -0.082 0.203 1.00 0.00 C ATOM 792 CD GLU A 69 12.021 1.220 0.136 1.00 0.00 C ATOM 793 OE1 GLU A 69 11.160 1.373 -0.744 1.00 0.00 O ATOM 794 OE2 GLU A 69 12.319 2.091 1.039 1.00 0.00 O ATOM 0 H GLU A 69 15.636 -0.624 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 69 14.747 -1.967 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.806 0.487 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.639 0.427 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.161 -0.929 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.226 -0.213 1.206 1.00 0.00 H new ATOM 802 N LEU A 70 12.944 -2.098 -2.970 1.00 0.00 N ATOM 803 CA LEU A 70 11.859 -2.808 -3.626 1.00 0.00 C ATOM 804 C LEU A 70 12.160 -4.308 -3.619 1.00 0.00 C ATOM 805 O LEU A 70 11.359 -5.104 -3.132 1.00 0.00 O ATOM 806 CB LEU A 70 11.612 -2.237 -5.024 1.00 0.00 C ATOM 807 CG LEU A 70 10.161 -2.249 -5.506 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.072 -2.700 -6.965 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.284 -3.102 -4.588 1.00 0.00 C ATOM 0 H LEU A 70 13.437 -1.430 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 70 10.926 -2.666 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.972 -1.208 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.215 -2.800 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 70 9.778 -1.230 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.029 -2.700 -7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.643 -2.016 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.480 -3.706 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.257 -3.093 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.657 -4.126 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.312 -2.695 -3.577 1.00 0.00 H new ATOM 821 N VAL A 71 13.318 -4.650 -4.166 1.00 0.00 N ATOM 822 CA VAL A 71 13.735 -6.040 -4.229 1.00 0.00 C ATOM 823 C VAL A 71 13.641 -6.660 -2.834 1.00 0.00 C ATOM 824 O VAL A 71 13.122 -7.764 -2.675 1.00 0.00 O ATOM 825 CB VAL A 71 15.137 -6.139 -4.834 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.092 -5.960 -6.353 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.085 -5.126 -4.190 1.00 0.00 C ATOM 0 H VAL A 71 13.980 -3.988 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 71 13.073 -6.608 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 71 15.522 -7.137 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.101 -6.035 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.466 -6.737 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.677 -4.981 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.074 -5.218 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.705 -4.117 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.152 -5.320 -3.120 1.00 0.00 H new ATOM 837 N LYS A 72 14.151 -5.923 -1.858 1.00 0.00 N ATOM 838 CA LYS A 72 14.131 -6.387 -0.481 1.00 0.00 C ATOM 839 C LYS A 72 12.684 -6.633 -0.051 1.00 0.00 C ATOM 840 O LYS A 72 12.406 -7.562 0.705 1.00 0.00 O ATOM 841 CB LYS A 72 14.884 -5.409 0.424 1.00 0.00 C ATOM 842 CG LYS A 72 15.173 -6.038 1.789 1.00 0.00 C ATOM 843 CD LYS A 72 13.971 -5.895 2.725 1.00 0.00 C ATOM 844 CE LYS A 72 14.414 -5.885 4.189 1.00 0.00 C ATOM 845 NZ LYS A 72 13.332 -6.393 5.061 1.00 0.00 N ATOM 0 H LYS A 72 14.581 -5.008 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 72 14.656 -7.338 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.820 -5.115 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.295 -4.501 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.417 -7.093 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.045 -5.561 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.436 -4.973 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.275 -6.717 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.306 -6.500 4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.684 -4.872 4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.649 -6.380 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.491 -5.789 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.094 -7.368 4.787 1.00 0.00 H new ATOM 859 N LYS A 73 11.799 -5.782 -0.551 1.00 0.00 N ATOM 860 CA LYS A 73 10.387 -5.896 -0.228 1.00 0.00 C ATOM 861 C LYS A 73 9.794 -7.097 -0.968 1.00 0.00 C ATOM 862 O LYS A 73 8.839 -7.712 -0.496 1.00 0.00 O ATOM 863 CB LYS A 73 9.664 -4.578 -0.516 1.00 0.00 C ATOM 864 CG LYS A 73 10.036 -3.512 0.517 1.00 0.00 C ATOM 865 CD LYS A 73 9.146 -3.616 1.757 1.00 0.00 C ATOM 866 CE LYS A 73 9.096 -2.285 2.509 1.00 0.00 C ATOM 867 NZ LYS A 73 7.878 -2.208 3.346 1.00 0.00 N ATOM 0 H LYS A 73 12.033 -5.011 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 73 10.254 -6.080 0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.923 -4.228 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.586 -4.740 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.081 -3.628 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.935 -2.521 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.138 -3.909 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.525 -4.397 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.982 -2.181 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.109 -1.458 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.860 -1.298 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.036 -2.286 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.881 -2.986 4.036 1.00 0.00 H new ATOM 881 N VAL A 74 10.384 -7.395 -2.116 1.00 0.00 N ATOM 882 CA VAL A 74 9.926 -8.511 -2.926 1.00 0.00 C ATOM 883 C VAL A 74 10.157 -9.817 -2.163 1.00 0.00 C ATOM 884 O VAL A 74 9.242 -10.627 -2.021 1.00 0.00 O ATOM 885 CB VAL A 74 10.617 -8.486 -4.291 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.207 -9.694 -5.135 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.327 -7.177 -5.028 1.00 0.00 C ATOM 0 H VAL A 74 11.176 -6.883 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 74 8.856 -8.430 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 74 11.692 -8.545 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.712 -9.652 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.488 -10.611 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.128 -9.681 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.830 -7.185 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.252 -7.075 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.692 -6.338 -4.436 1.00 0.00 H new ATOM 897 N VAL A 75 11.385 -9.981 -1.693 1.00 0.00 N ATOM 898 CA VAL A 75 11.747 -11.175 -0.948 1.00 0.00 C ATOM 899 C VAL A 75 10.933 -11.231 0.346 1.00 0.00 C ATOM 900 O VAL A 75 10.492 -12.302 0.760 1.00 0.00 O ATOM 901 CB VAL A 75 13.258 -11.202 -0.705 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.723 -9.922 -0.008 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.662 -12.441 0.096 1.00 0.00 C ATOM 0 H VAL A 75 12.141 -9.307 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 75 11.507 -12.070 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 75 13.753 -11.254 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.800 -9.966 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.485 -9.061 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.216 -9.826 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.740 -12.436 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.153 -12.433 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.381 -13.338 -0.455 1.00 0.00 H new ATOM 913 N ALA A 76 10.757 -10.064 0.948 1.00 0.00 N ATOM 914 CA ALA A 76 10.003 -9.967 2.186 1.00 0.00 C ATOM 915 C ALA A 76 8.570 -10.447 1.945 1.00 0.00 C ATOM 916 O ALA A 76 7.993 -11.134 2.785 1.00 0.00 O ATOM 917 CB ALA A 76 10.056 -8.528 2.705 1.00 0.00 C ATOM 0 H ALA A 76 11.124 -9.178 0.601 1.00 0.00 H new ATOM 0 HA ALA A 76 10.440 -10.607 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.490 -8.455 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.093 -8.245 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.623 -7.857 1.963 1.00 0.00 H new ATOM 923 N VAL A 77 8.038 -10.065 0.793 1.00 0.00 N ATOM 924 CA VAL A 77 6.684 -10.448 0.431 1.00 0.00 C ATOM 925 C VAL A 77 6.630 -11.960 0.204 1.00 0.00 C ATOM 926 O VAL A 77 5.757 -12.641 0.739 1.00 0.00 O ATOM 927 CB VAL A 77 6.221 -9.643 -0.785 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.806 -10.050 -1.205 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.301 -8.140 -0.511 1.00 0.00 C ATOM 0 H VAL A 77 8.520 -9.494 0.098 1.00 0.00 H new ATOM 0 HA VAL A 77 5.991 -10.216 1.240 1.00 0.00 H new ATOM 0 HB VAL A 77 6.894 -9.868 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.501 -9.463 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.793 -11.109 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.115 -9.868 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.966 -7.591 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.663 -7.890 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.331 -7.866 -0.283 1.00 0.00 H new ATOM 939 N CYS A 78 7.574 -12.441 -0.592 1.00 0.00 N ATOM 940 CA CYS A 78 7.645 -13.860 -0.896 1.00 0.00 C ATOM 941 C CYS A 78 7.717 -14.631 0.423 1.00 0.00 C ATOM 942 O CYS A 78 7.057 -15.657 0.583 1.00 0.00 O ATOM 943 CB CYS A 78 8.827 -14.183 -1.812 1.00 0.00 C ATOM 944 SG CYS A 78 10.256 -14.742 -0.815 1.00 0.00 S ATOM 0 H CYS A 78 8.296 -11.873 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 78 6.752 -14.163 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.545 -14.958 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.100 -13.301 -2.392 1.00 0.00 H new ATOM 0 HG CYS A 78 10.598 -13.804 0.018 1.00 0.00 H new ATOM 950 N GLU A 79 8.523 -14.108 1.334 1.00 0.00 N ATOM 951 CA GLU A 79 8.690 -14.735 2.634 1.00 0.00 C ATOM 952 C GLU A 79 7.469 -14.463 3.515 1.00 0.00 C ATOM 953 O GLU A 79 7.133 -15.268 4.383 1.00 0.00 O ATOM 954 CB GLU A 79 9.974 -14.256 3.314 1.00 0.00 C ATOM 955 CG GLU A 79 10.349 -15.168 4.483 1.00 0.00 C ATOM 956 CD GLU A 79 11.532 -14.596 5.268 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.538 -15.293 5.469 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.380 -13.381 5.673 1.00 0.00 O ATOM 0 H GLU A 79 9.068 -13.257 1.198 1.00 0.00 H new ATOM 0 HA GLU A 79 8.776 -15.812 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.788 -14.235 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.841 -13.235 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.492 -15.287 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.602 -16.160 4.108 1.00 0.00 H new ATOM 966 N GLU A 80 6.838 -13.325 3.263 1.00 0.00 N ATOM 967 CA GLU A 80 5.662 -12.937 4.022 1.00 0.00 C ATOM 968 C GLU A 80 4.446 -13.748 3.569 1.00 0.00 C ATOM 969 O GLU A 80 3.460 -13.853 4.296 1.00 0.00 O ATOM 970 CB GLU A 80 5.398 -11.435 3.893 1.00 0.00 C ATOM 971 CG GLU A 80 4.130 -11.035 4.650 1.00 0.00 C ATOM 972 CD GLU A 80 3.982 -9.513 4.706 1.00 0.00 C ATOM 973 OE1 GLU A 80 4.978 -8.800 4.900 1.00 0.00 O ATOM 974 OE2 GLU A 80 2.781 -9.075 4.539 1.00 0.00 O ATOM 0 H GLU A 80 7.120 -12.659 2.543 1.00 0.00 H new ATOM 0 HA GLU A 80 5.846 -13.152 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.250 -10.878 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.297 -11.169 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.258 -11.471 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.164 -11.438 5.662 1.00 0.00 H new ATOM 982 N LEU A 81 4.557 -14.301 2.370 1.00 0.00 N ATOM 983 CA LEU A 81 3.479 -15.100 1.812 1.00 0.00 C ATOM 984 C LEU A 81 3.578 -16.529 2.350 1.00 0.00 C ATOM 985 O LEU A 81 2.625 -17.300 2.251 1.00 0.00 O ATOM 986 CB LEU A 81 3.486 -15.015 0.285 1.00 0.00 C ATOM 987 CG LEU A 81 3.021 -13.687 -0.316 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.670 -13.847 -1.796 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.861 -13.098 0.489 1.00 0.00 C ATOM 0 H LEU A 81 5.377 -14.212 1.770 1.00 0.00 H new ATOM 0 HA LEU A 81 2.511 -14.708 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.499 -15.215 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.851 -15.810 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 81 3.847 -12.978 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.343 -12.888 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.548 -14.189 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.868 -14.578 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.549 -12.154 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.024 -13.796 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.182 -12.923 1.516 1.00 0.00 H new ATOM 1001 N GLY A 82 4.740 -16.839 2.906 1.00 0.00 N ATOM 1002 CA GLY A 82 4.976 -18.162 3.459 1.00 0.00 C ATOM 1003 C GLY A 82 4.273 -19.237 2.627 1.00 0.00 C ATOM 1004 O GLY A 82 3.796 -20.232 3.169 1.00 0.00 O ATOM 0 H GLY A 82 5.528 -16.197 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.047 -18.362 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.616 -18.200 4.487 1.00 0.00 H new ATOM 1008 N ALA A 83 4.232 -18.999 1.325 1.00 0.00 N ATOM 1009 CA ALA A 83 3.596 -19.935 0.413 1.00 0.00 C ATOM 1010 C ALA A 83 4.647 -20.506 -0.540 1.00 0.00 C ATOM 1011 O ALA A 83 5.425 -19.760 -1.133 1.00 0.00 O ATOM 1012 CB ALA A 83 2.458 -19.231 -0.329 1.00 0.00 C ATOM 0 H ALA A 83 4.629 -18.172 0.879 1.00 0.00 H new ATOM 0 HA ALA A 83 3.161 -20.770 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.981 -19.933 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.723 -18.869 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.858 -18.389 -0.894 1.00 0.00 H new ATOM 1018 N GLU A 84 4.638 -21.826 -0.658 1.00 0.00 N ATOM 1019 CA GLU A 84 5.581 -22.507 -1.528 1.00 0.00 C ATOM 1020 C GLU A 84 4.946 -23.769 -2.115 1.00 0.00 C ATOM 1021 O GLU A 84 5.640 -24.747 -2.389 1.00 0.00 O ATOM 1022 CB GLU A 84 6.875 -22.840 -0.782 1.00 0.00 C ATOM 1023 CG GLU A 84 6.578 -23.334 0.635 1.00 0.00 C ATOM 1024 CD GLU A 84 6.397 -22.159 1.599 1.00 0.00 C ATOM 1025 OE1 GLU A 84 5.268 -21.879 2.029 1.00 0.00 O ATOM 1026 OE2 GLU A 84 7.481 -21.528 1.899 1.00 0.00 O ATOM 0 H GLU A 84 3.992 -22.442 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 84 5.836 -21.837 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.428 -23.604 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.511 -21.956 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.676 -23.946 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.393 -23.970 0.980 1.00 0.00 H new ATOM 1034 N GLU A 85 3.635 -23.706 -2.291 1.00 0.00 N ATOM 1035 CA GLU A 85 2.899 -24.832 -2.840 1.00 0.00 C ATOM 1036 C GLU A 85 1.402 -24.675 -2.561 1.00 0.00 C ATOM 1037 O GLU A 85 1.013 -24.008 -1.604 1.00 0.00 O ATOM 1038 CB GLU A 85 3.425 -26.156 -2.283 1.00 0.00 C ATOM 1039 CG GLU A 85 3.675 -26.055 -0.777 1.00 0.00 C ATOM 1040 CD GLU A 85 3.490 -27.414 -0.098 1.00 0.00 C ATOM 1041 OE1 GLU A 85 4.219 -27.738 0.851 1.00 0.00 O ATOM 1042 OE2 GLU A 85 2.547 -28.145 -0.589 1.00 0.00 O ATOM 0 H GLU A 85 3.063 -22.893 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 85 3.048 -24.846 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.706 -26.951 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.350 -26.427 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.686 -25.689 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.990 -25.329 -0.339 1.00 0.00 H new ATOM 1050 N CYS A 86 0.605 -25.302 -3.413 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.840 -25.241 -3.270 1.00 0.00 C ATOM 1052 C CYS A 86 -1.328 -26.592 -2.744 1.00 0.00 C ATOM 1053 O CYS A 86 -0.989 -27.637 -3.298 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.523 -24.859 -4.585 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.287 -24.475 -4.285 1.00 0.00 S ATOM 0 H CYS A 86 0.932 -25.855 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.105 -24.459 -2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.024 -23.996 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.437 -25.677 -5.300 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.998 -24.886 -5.293 1.00 0.00 H new ATOM 1060 N PHE A 87 -2.117 -26.527 -1.682 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.656 -27.733 -1.076 1.00 0.00 C ATOM 1062 C PHE A 87 -3.987 -28.124 -1.721 1.00 0.00 C ATOM 1063 O PHE A 87 -4.280 -29.308 -1.878 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.892 -27.422 0.404 1.00 0.00 C ATOM 1065 CG PHE A 87 -4.267 -26.819 0.701 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -4.440 -25.470 0.661 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -5.314 -27.630 1.005 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -5.715 -24.910 0.938 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -6.590 -27.070 1.281 1.00 0.00 C ATOM 1070 CZ PHE A 87 -6.763 -25.722 1.242 1.00 0.00 C ATOM 0 H PHE A 87 -2.396 -25.659 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.960 -28.561 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.777 -28.340 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.122 -26.731 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.608 -24.826 0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.176 -28.701 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.853 -23.839 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.422 -27.715 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.733 -25.296 1.452 1.00 0.00 H new ATOM 1080 N SER A 88 -4.757 -27.106 -2.078 1.00 0.00 N ATOM 1081 CA SER A 88 -6.049 -27.329 -2.703 1.00 0.00 C ATOM 1082 C SER A 88 -5.864 -28.014 -4.059 1.00 0.00 C ATOM 1083 O SER A 88 -6.662 -28.869 -4.440 1.00 0.00 O ATOM 1084 CB SER A 88 -6.812 -26.014 -2.873 1.00 0.00 C ATOM 1085 OG SER A 88 -7.022 -25.353 -1.628 1.00 0.00 O ATOM 0 H SER A 88 -4.510 -26.125 -1.946 1.00 0.00 H new ATOM 0 HA SER A 88 -6.636 -27.978 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.257 -25.357 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.774 -26.212 -3.345 1.00 0.00 H new ATOM 0 HG SER A 88 -6.486 -25.787 -0.932 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.807 -27.612 -4.749 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.507 -28.177 -6.054 1.00 0.00 C ATOM 1093 C CYS A 89 -4.195 -29.664 -5.874 1.00 0.00 C ATOM 1094 O CYS A 89 -4.213 -30.427 -6.838 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.361 -27.432 -6.743 1.00 0.00 C ATOM 1096 SG CYS A 89 -4.021 -26.029 -7.715 1.00 0.00 S ATOM 0 H CYS A 89 -4.148 -26.902 -4.429 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.371 -28.065 -6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.653 -27.068 -5.998 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.815 -28.112 -7.396 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.414 -24.934 -7.364 1.00 0.00 H new