USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 80 SER OG : rot 72:sc= -0.0919 USER MOD Set 1.2: A 87 SER OG : rot -5:sc= 0.664 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 HIS : no HD1:sc= -5! C(o=-5!,f=-5.8!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 26 HIS : no HD1:sc= -0.469 K(o=-0.47,f=0.061) USER MOD Single : A 28 THR OG1 : rot 21:sc= 0.0565 USER MOD Single : A 30 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.9!) USER MOD Single : A 32 SER OG : rot 170:sc= -0.0811 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 CYS SG : rot -52:sc= -0.718 USER MOD Single : A 43 SER OG : rot 150:sc= 0.0254 USER MOD Single : A 57 GLN : amide:sc=-0.00172 X(o=-0.0017,f=-0.12) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.151 USER MOD Single : A 79 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 96 THR OG1 : rot 163:sc= 0.00467 USER MOD Single : A 98 THR OG1 : rot 38:sc= 0.305 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 6.713 -18.264 0.230 1.00 0.00 N ATOM 81 CA LEU A 9 6.634 -16.852 -0.126 1.00 0.00 C ATOM 82 C LEU A 9 5.828 -16.074 0.909 1.00 0.00 C ATOM 83 O LEU A 9 4.631 -15.835 0.747 1.00 0.00 O ATOM 84 CB LEU A 9 6.003 -16.689 -1.509 1.00 0.00 C ATOM 85 CG LEU A 9 6.334 -15.393 -2.250 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.836 -15.264 -2.454 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.607 -15.341 -3.586 1.00 0.00 C ATOM 0 HA LEU A 9 7.647 -16.451 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.315 -17.529 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.920 -16.757 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 9 5.996 -14.554 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.053 -14.336 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.335 -15.255 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.197 -16.109 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.855 -14.412 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.914 -16.188 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.531 -15.386 -3.417 1.00 0.00 H new ATOM 99 N PRO A 10 6.497 -15.667 1.997 1.00 0.00 N ATOM 100 CA PRO A 10 5.863 -14.907 3.079 1.00 0.00 C ATOM 101 C PRO A 10 5.497 -13.489 2.654 1.00 0.00 C ATOM 102 O PRO A 10 6.343 -12.707 2.219 1.00 0.00 O ATOM 103 CB PRO A 10 6.937 -14.877 4.169 1.00 0.00 C ATOM 104 CG PRO A 10 8.225 -15.034 3.436 1.00 0.00 C ATOM 105 CD PRO A 10 7.925 -15.916 2.256 1.00 0.00 C ATOM 0 HA PRO A 10 4.924 -15.360 3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.910 -13.940 4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.791 -15.681 4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.610 -14.067 3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.986 -15.483 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.541 -15.657 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.116 -16.966 2.480 1.00 0.00 H new ATOM 113 N PRO A 11 4.206 -13.147 2.781 1.00 0.00 N ATOM 114 CA PRO A 11 3.699 -11.821 2.416 1.00 0.00 C ATOM 115 C PRO A 11 4.183 -10.733 3.368 1.00 0.00 C ATOM 116 O PRO A 11 4.758 -11.007 4.422 1.00 0.00 O ATOM 117 CB PRO A 11 2.180 -11.982 2.516 1.00 0.00 C ATOM 118 CG PRO A 11 1.980 -13.094 3.486 1.00 0.00 C ATOM 119 CD PRO A 11 3.143 -14.028 3.292 1.00 0.00 C ATOM 0 HA PRO A 11 4.044 -11.510 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.707 -11.064 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.742 -12.219 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.948 -12.718 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.035 -13.605 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.433 -14.508 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.906 -14.824 2.586 1.00 0.00 H new ATOM 127 N PRO A 12 3.945 -9.467 2.992 1.00 0.00 N ATOM 128 CA PRO A 12 4.348 -8.312 3.800 1.00 0.00 C ATOM 129 C PRO A 12 3.531 -8.188 5.082 1.00 0.00 C ATOM 130 O PRO A 12 2.302 -8.146 5.044 1.00 0.00 O ATOM 131 CB PRO A 12 4.078 -7.122 2.877 1.00 0.00 C ATOM 132 CG PRO A 12 3.015 -7.597 1.947 1.00 0.00 C ATOM 133 CD PRO A 12 3.264 -9.067 1.749 1.00 0.00 C ATOM 0 HA PRO A 12 5.384 -8.387 4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.749 -6.250 3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.977 -6.830 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.024 -7.422 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.059 -7.062 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.334 -9.617 1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.884 -9.255 0.872 1.00 0.00 H new ATOM 141 N ARG A 13 4.223 -8.130 6.215 1.00 0.00 N ATOM 142 CA ARG A 13 3.561 -8.011 7.509 1.00 0.00 C ATOM 143 C ARG A 13 3.985 -6.730 8.221 1.00 0.00 C ATOM 144 O ARG A 13 3.207 -6.138 8.969 1.00 0.00 O ATOM 145 CB ARG A 13 3.883 -9.224 8.384 1.00 0.00 C ATOM 146 CG ARG A 13 3.667 -8.979 9.868 1.00 0.00 C ATOM 147 CD ARG A 13 2.214 -8.647 10.172 1.00 0.00 C ATOM 148 NE ARG A 13 1.353 -9.823 10.079 1.00 0.00 N ATOM 149 CZ ARG A 13 0.055 -9.807 10.359 1.00 0.00 C ATOM 150 NH1 ARG A 13 -0.530 -8.682 10.746 1.00 0.00 N ATOM 151 NH2 ARG A 13 -0.662 -10.918 10.250 1.00 0.00 N ATOM 0 H ARG A 13 5.241 -8.163 6.263 1.00 0.00 H new ATOM 0 HA ARG A 13 2.486 -7.971 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.263 -10.063 8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.921 -9.515 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.965 -9.864 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.306 -8.160 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.141 -8.223 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.863 -7.885 9.476 1.00 0.00 H new ATOM 0 HE ARG A 13 1.772 -10.705 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.017 -7.825 10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.527 -8.673 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.216 -11.785 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.659 -10.905 10.465 1.00 0.00 H new ATOM 165 N ALA A 14 5.222 -6.308 7.983 1.00 0.00 N ATOM 166 CA ALA A 14 5.749 -5.097 8.600 1.00 0.00 C ATOM 167 C ALA A 14 5.236 -3.851 7.887 1.00 0.00 C ATOM 168 O ALA A 14 6.021 -3.020 7.426 1.00 0.00 O ATOM 169 CB ALA A 14 7.270 -5.122 8.597 1.00 0.00 C ATOM 0 H ALA A 14 5.879 -6.787 7.367 1.00 0.00 H new ATOM 0 HA ALA A 14 5.400 -5.062 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.650 -4.212 9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.621 -5.988 9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.631 -5.184 7.570 1.00 0.00 H new ATOM 175 N LEU A 15 3.917 -3.725 7.798 1.00 0.00 N ATOM 176 CA LEU A 15 3.300 -2.579 7.140 1.00 0.00 C ATOM 177 C LEU A 15 3.194 -1.395 8.095 1.00 0.00 C ATOM 178 O LEU A 15 2.500 -1.461 9.110 1.00 0.00 O ATOM 179 CB LEU A 15 1.911 -2.953 6.618 1.00 0.00 C ATOM 180 CG LEU A 15 1.873 -3.664 5.265 1.00 0.00 C ATOM 181 CD1 LEU A 15 2.119 -5.155 5.438 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.540 -3.420 4.571 1.00 0.00 C ATOM 0 H LEU A 15 3.254 -4.403 8.173 1.00 0.00 H new ATOM 0 HA LEU A 15 3.932 -2.290 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.427 -3.593 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.315 -2.043 6.545 1.00 0.00 H new ATOM 0 HG LEU A 15 2.667 -3.255 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.088 -5.644 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.097 -5.312 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.348 -5.579 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.531 -3.934 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.269 -3.801 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.403 -2.350 4.412 1.00 0.00 H new ATOM 194 N THR A 16 3.885 -0.309 7.762 1.00 0.00 N ATOM 195 CA THR A 16 3.869 0.891 8.589 1.00 0.00 C ATOM 196 C THR A 16 3.850 2.150 7.730 1.00 0.00 C ATOM 197 O THR A 16 4.439 2.186 6.649 1.00 0.00 O ATOM 198 CB THR A 16 5.088 0.943 9.529 1.00 0.00 C ATOM 199 OG1 THR A 16 5.103 -0.212 10.375 1.00 0.00 O ATOM 200 CG2 THR A 16 5.061 2.203 10.381 1.00 0.00 C ATOM 0 H THR A 16 4.463 -0.236 6.925 1.00 0.00 H new ATOM 0 HA THR A 16 2.960 0.849 9.188 1.00 0.00 H new ATOM 0 HB THR A 16 5.991 0.957 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.882 -0.173 10.969 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.932 2.218 11.037 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.079 3.080 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.153 2.215 10.984 1.00 0.00 H new ATOM 208 N LEU A 17 3.171 3.183 8.217 1.00 0.00 N ATOM 209 CA LEU A 17 3.076 4.446 7.493 1.00 0.00 C ATOM 210 C LEU A 17 4.331 5.288 7.700 1.00 0.00 C ATOM 211 O LEU A 17 4.587 5.779 8.799 1.00 0.00 O ATOM 212 CB LEU A 17 1.843 5.227 7.951 1.00 0.00 C ATOM 213 CG LEU A 17 1.247 6.198 6.931 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.567 5.438 5.804 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.265 7.145 7.607 1.00 0.00 C ATOM 0 H LEU A 17 2.678 3.171 9.110 1.00 0.00 H new ATOM 0 HA LEU A 17 2.983 4.221 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.071 4.513 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.106 5.789 8.847 1.00 0.00 H new ATOM 0 HG LEU A 17 2.057 6.790 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.149 6.146 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.296 4.802 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.233 4.820 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.149 7.829 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.542 6.569 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.782 7.716 8.378 1.00 0.00 H new ATOM 227 N ALA A 18 5.110 5.451 6.636 1.00 0.00 N ATOM 228 CA ALA A 18 6.336 6.237 6.700 1.00 0.00 C ATOM 229 C ALA A 18 6.031 7.712 6.938 1.00 0.00 C ATOM 230 O ALA A 18 6.734 8.387 7.689 1.00 0.00 O ATOM 231 CB ALA A 18 7.142 6.062 5.421 1.00 0.00 C ATOM 0 H ALA A 18 4.914 5.049 5.719 1.00 0.00 H new ATOM 0 HA ALA A 18 6.927 5.875 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.055 6.654 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.400 5.010 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.550 6.396 4.569 1.00 0.00 H new ATOM 237 N ALA A 19 4.979 8.205 6.293 1.00 0.00 N ATOM 238 CA ALA A 19 4.581 9.600 6.436 1.00 0.00 C ATOM 239 C ALA A 19 3.102 9.785 6.111 1.00 0.00 C ATOM 240 O ALA A 19 2.538 9.051 5.299 1.00 0.00 O ATOM 241 CB ALA A 19 5.434 10.487 5.542 1.00 0.00 C ATOM 0 H ALA A 19 4.387 7.659 5.667 1.00 0.00 H new ATOM 0 HA ALA A 19 4.738 9.892 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.125 11.526 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.482 10.386 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.306 10.186 4.502 1.00 0.00 H new ATOM 247 N VAL A 20 2.479 10.770 6.750 1.00 0.00 N ATOM 248 CA VAL A 20 1.066 11.051 6.529 1.00 0.00 C ATOM 249 C VAL A 20 0.865 12.459 5.979 1.00 0.00 C ATOM 250 O VAL A 20 0.964 13.444 6.712 1.00 0.00 O ATOM 251 CB VAL A 20 0.253 10.898 7.828 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.764 11.856 8.894 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.227 11.126 7.560 1.00 0.00 C ATOM 0 H VAL A 20 2.931 11.387 7.425 1.00 0.00 H new ATOM 0 HA VAL A 20 0.709 10.325 5.799 1.00 0.00 H new ATOM 0 HB VAL A 20 0.379 9.880 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.178 11.734 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.811 11.640 9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.670 12.882 8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.786 11.014 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.375 12.132 7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.582 10.396 6.833 1.00 0.00 H new ATOM 263 N THR A 21 0.581 12.548 4.683 1.00 0.00 N ATOM 264 CA THR A 21 0.367 13.835 4.034 1.00 0.00 C ATOM 265 C THR A 21 -1.042 13.934 3.461 1.00 0.00 C ATOM 266 O THR A 21 -1.558 12.996 2.854 1.00 0.00 O ATOM 267 CB THR A 21 1.387 14.071 2.904 1.00 0.00 C ATOM 268 OG1 THR A 21 2.627 13.430 3.222 1.00 0.00 O ATOM 269 CG2 THR A 21 1.620 15.558 2.687 1.00 0.00 C ATOM 0 H THR A 21 0.494 11.743 4.062 1.00 0.00 H new ATOM 0 HA THR A 21 0.500 14.601 4.798 1.00 0.00 H new ATOM 0 HB THR A 21 0.983 13.645 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.270 13.583 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.344 15.700 1.884 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.680 16.038 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.004 16.004 3.605 1.00 0.00 H new ATOM 277 N PRO A 22 -1.680 15.097 3.656 1.00 0.00 N ATOM 278 CA PRO A 22 -3.039 15.347 3.165 1.00 0.00 C ATOM 279 C PRO A 22 -3.094 15.459 1.645 1.00 0.00 C ATOM 280 O PRO A 22 -4.167 15.616 1.063 1.00 0.00 O ATOM 281 CB PRO A 22 -3.411 16.683 3.813 1.00 0.00 C ATOM 282 CG PRO A 22 -2.106 17.357 4.066 1.00 0.00 C ATOM 283 CD PRO A 22 -1.125 16.259 4.371 1.00 0.00 C ATOM 0 HA PRO A 22 -3.719 14.533 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.044 17.279 3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.965 16.533 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.789 17.933 3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.182 18.055 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.123 16.506 4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.050 16.073 5.442 1.00 0.00 H new ATOM 291 N ARG A 23 -1.931 15.376 1.007 1.00 0.00 N ATOM 292 CA ARG A 23 -1.847 15.469 -0.445 1.00 0.00 C ATOM 293 C ARG A 23 -1.292 14.179 -1.041 1.00 0.00 C ATOM 294 O ARG A 23 -1.508 13.881 -2.216 1.00 0.00 O ATOM 295 CB ARG A 23 -0.966 16.652 -0.852 1.00 0.00 C ATOM 296 CG ARG A 23 -1.103 17.857 0.064 1.00 0.00 C ATOM 297 CD ARG A 23 -2.300 18.714 -0.319 1.00 0.00 C ATOM 298 NE ARG A 23 -2.261 20.026 0.322 1.00 0.00 N ATOM 299 CZ ARG A 23 -3.271 20.888 0.294 1.00 0.00 C ATOM 300 NH1 ARG A 23 -4.394 20.578 -0.339 1.00 0.00 N ATOM 301 NH2 ARG A 23 -3.160 22.062 0.901 1.00 0.00 N ATOM 0 H ARG A 23 -1.034 15.244 1.474 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.854 15.625 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.076 16.331 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.219 16.949 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.210 17.521 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.194 18.457 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.324 18.840 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.219 18.200 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.411 20.295 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.484 19.676 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.168 21.242 -0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.298 22.304 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.936 22.723 0.879 1.00 0.00 H new ATOM 315 N THR A 24 -0.574 13.415 -0.223 1.00 0.00 N ATOM 316 CA THR A 24 0.014 12.158 -0.669 1.00 0.00 C ATOM 317 C THR A 24 0.140 11.171 0.485 1.00 0.00 C ATOM 318 O THR A 24 0.190 11.565 1.651 1.00 0.00 O ATOM 319 CB THR A 24 1.403 12.379 -1.295 1.00 0.00 C ATOM 320 OG1 THR A 24 2.405 12.398 -0.272 1.00 0.00 O ATOM 321 CG2 THR A 24 1.444 13.684 -2.076 1.00 0.00 C ATOM 0 H THR A 24 -0.386 13.645 0.753 1.00 0.00 H new ATOM 0 HA THR A 24 -0.655 11.746 -1.424 1.00 0.00 H new ATOM 0 HB THR A 24 1.602 11.556 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.285 12.537 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.435 13.818 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.701 13.655 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.225 14.516 -1.406 1.00 0.00 H new ATOM 329 N VAL A 25 0.192 9.884 0.154 1.00 0.00 N ATOM 330 CA VAL A 25 0.315 8.839 1.164 1.00 0.00 C ATOM 331 C VAL A 25 1.520 7.948 0.888 1.00 0.00 C ATOM 332 O VAL A 25 1.663 7.399 -0.205 1.00 0.00 O ATOM 333 CB VAL A 25 -0.953 7.966 1.225 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.673 6.669 1.968 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.094 8.730 1.880 1.00 0.00 C ATOM 0 H VAL A 25 0.151 9.540 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 25 0.449 9.339 2.123 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.251 7.716 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.580 6.065 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.112 6.116 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.350 6.894 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.982 8.099 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.809 9.011 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.310 9.628 1.301 1.00 0.00 H new ATOM 345 N HIS A 26 2.386 7.806 1.887 1.00 0.00 N ATOM 346 CA HIS A 26 3.580 6.979 1.752 1.00 0.00 C ATOM 347 C HIS A 26 3.499 5.757 2.662 1.00 0.00 C ATOM 348 O HIS A 26 3.152 5.868 3.839 1.00 0.00 O ATOM 349 CB HIS A 26 4.830 7.794 2.083 1.00 0.00 C ATOM 350 CG HIS A 26 6.098 7.177 1.579 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.345 7.523 2.056 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.307 6.229 0.636 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.266 6.816 1.426 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.663 6.023 0.559 1.00 0.00 N ATOM 0 H HIS A 26 2.283 8.253 2.798 1.00 0.00 H new ATOM 0 HA HIS A 26 3.641 6.638 0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.727 8.792 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.899 7.915 3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.549 5.728 0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.331 6.876 1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.128 5.365 -0.066 1.00 0.00 H new ATOM 363 N LEU A 27 3.821 4.593 2.110 1.00 0.00 N ATOM 364 CA LEU A 27 3.785 3.349 2.872 1.00 0.00 C ATOM 365 C LEU A 27 5.068 2.549 2.670 1.00 0.00 C ATOM 366 O LEU A 27 5.740 2.680 1.646 1.00 0.00 O ATOM 367 CB LEU A 27 2.576 2.509 2.456 1.00 0.00 C ATOM 368 CG LEU A 27 2.190 1.373 3.405 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.648 1.929 4.712 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.169 0.454 2.749 1.00 0.00 C ATOM 0 H LEU A 27 4.110 4.484 1.138 1.00 0.00 H new ATOM 0 HA LEU A 27 3.699 3.601 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.718 3.172 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.776 2.083 1.473 1.00 0.00 H new ATOM 0 HG LEU A 27 3.084 0.791 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.379 1.106 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.410 2.544 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.765 2.536 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.906 -0.348 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.275 1.024 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.594 0.027 1.841 1.00 0.00 H new ATOM 382 N THR A 28 5.402 1.718 3.652 1.00 0.00 N ATOM 383 CA THR A 28 6.604 0.896 3.582 1.00 0.00 C ATOM 384 C THR A 28 6.404 -0.432 4.304 1.00 0.00 C ATOM 385 O THR A 28 5.892 -0.471 5.423 1.00 0.00 O ATOM 386 CB THR A 28 7.817 1.621 4.194 1.00 0.00 C ATOM 387 OG1 THR A 28 7.582 1.885 5.581 1.00 0.00 O ATOM 388 CG2 THR A 28 8.091 2.927 3.463 1.00 0.00 C ATOM 0 H THR A 28 4.857 1.596 4.506 1.00 0.00 H new ATOM 0 HA THR A 28 6.797 0.708 2.526 1.00 0.00 H new ATOM 0 HB THR A 28 8.689 0.975 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.886 1.281 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.952 3.422 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.299 2.720 2.413 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.219 3.576 3.539 1.00 0.00 H new ATOM 396 N TRP A 29 6.811 -1.518 3.657 1.00 0.00 N ATOM 397 CA TRP A 29 6.676 -2.849 4.238 1.00 0.00 C ATOM 398 C TRP A 29 7.961 -3.652 4.063 1.00 0.00 C ATOM 399 O TRP A 29 8.912 -3.187 3.435 1.00 0.00 O ATOM 400 CB TRP A 29 5.504 -3.593 3.596 1.00 0.00 C ATOM 401 CG TRP A 29 5.590 -3.658 2.101 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.265 -4.585 1.359 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.981 -2.760 1.168 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.112 -4.316 0.020 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.328 -3.202 -0.124 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.175 -1.626 1.297 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.897 -2.548 -1.275 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.748 -0.978 0.153 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.109 -1.441 -1.119 1.00 0.00 C ATOM 0 H TRP A 29 7.237 -1.503 2.730 1.00 0.00 H new ATOM 0 HA TRP A 29 6.483 -2.734 5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.464 -4.607 3.995 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.573 -3.102 3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.835 -5.408 1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.517 -4.858 -0.743 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.891 -1.262 2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.175 -2.902 -2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.126 -0.100 0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.758 -0.913 -1.994 1.00 0.00 H new ATOM 420 N GLN A 30 7.981 -4.857 4.622 1.00 0.00 N ATOM 421 CA GLN A 30 9.150 -5.723 4.527 1.00 0.00 C ATOM 422 C GLN A 30 9.154 -6.491 3.209 1.00 0.00 C ATOM 423 O GLN A 30 8.114 -6.924 2.712 1.00 0.00 O ATOM 424 CB GLN A 30 9.183 -6.703 5.701 1.00 0.00 C ATOM 425 CG GLN A 30 9.925 -6.172 6.917 1.00 0.00 C ATOM 426 CD GLN A 30 11.424 -6.106 6.703 1.00 0.00 C ATOM 427 OE1 GLN A 30 12.048 -7.085 6.293 1.00 0.00 O ATOM 428 NE2 GLN A 30 12.011 -4.947 6.979 1.00 0.00 N ATOM 0 H GLN A 30 7.202 -5.256 5.145 1.00 0.00 H new ATOM 0 HA GLN A 30 10.039 -5.094 4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.160 -6.947 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.653 -7.631 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.552 -5.177 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.712 -6.810 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.455 -4.161 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.018 -4.843 6.853 1.00 0.00 H new ATOM 437 N PRO A 31 10.350 -6.663 2.627 1.00 0.00 N ATOM 438 CA PRO A 31 10.518 -7.379 1.359 1.00 0.00 C ATOM 439 C PRO A 31 10.261 -8.875 1.499 1.00 0.00 C ATOM 440 O PRO A 31 10.472 -9.454 2.565 1.00 0.00 O ATOM 441 CB PRO A 31 11.982 -7.120 0.997 1.00 0.00 C ATOM 442 CG PRO A 31 12.655 -6.858 2.300 1.00 0.00 C ATOM 443 CD PRO A 31 11.631 -6.174 3.164 1.00 0.00 C ATOM 0 HA PRO A 31 9.811 -7.039 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.422 -7.979 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.078 -6.268 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.994 -7.787 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.535 -6.229 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.752 -6.436 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.708 -5.089 3.095 1.00 0.00 H new ATOM 451 N SER A 32 9.803 -9.497 0.417 1.00 0.00 N ATOM 452 CA SER A 32 9.514 -10.926 0.421 1.00 0.00 C ATOM 453 C SER A 32 10.699 -11.722 -0.117 1.00 0.00 C ATOM 454 O SER A 32 11.526 -11.197 -0.863 1.00 0.00 O ATOM 455 CB SER A 32 8.267 -11.218 -0.416 1.00 0.00 C ATOM 456 OG SER A 32 8.280 -12.548 -0.904 1.00 0.00 O ATOM 0 H SER A 32 9.624 -9.033 -0.474 1.00 0.00 H new ATOM 0 HA SER A 32 9.331 -11.231 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.374 -11.058 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.215 -10.521 -1.252 1.00 0.00 H new ATOM 0 HG SER A 32 7.407 -12.761 -1.296 1.00 0.00 H new ATOM 462 N ALA A 33 10.775 -12.992 0.267 1.00 0.00 N ATOM 463 CA ALA A 33 11.857 -13.861 -0.178 1.00 0.00 C ATOM 464 C ALA A 33 11.423 -14.713 -1.366 1.00 0.00 C ATOM 465 O ALA A 33 10.670 -15.674 -1.212 1.00 0.00 O ATOM 466 CB ALA A 33 12.326 -14.747 0.966 1.00 0.00 C ATOM 0 H ALA A 33 10.100 -13.442 0.885 1.00 0.00 H new ATOM 0 HA ALA A 33 12.687 -13.232 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.134 -15.391 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.684 -14.124 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.496 -15.362 1.314 1.00 0.00 H new ATOM 472 N GLY A 34 11.903 -14.354 -2.553 1.00 0.00 N ATOM 473 CA GLY A 34 11.554 -15.096 -3.750 1.00 0.00 C ATOM 474 C GLY A 34 10.825 -14.243 -4.769 1.00 0.00 C ATOM 475 O GLY A 34 11.114 -14.309 -5.964 1.00 0.00 O ATOM 0 H GLY A 34 12.527 -13.562 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.461 -15.500 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.928 -15.946 -3.477 1.00 0.00 H new ATOM 479 N ALA A 35 9.877 -13.440 -4.297 1.00 0.00 N ATOM 480 CA ALA A 35 9.106 -12.569 -5.175 1.00 0.00 C ATOM 481 C ALA A 35 10.008 -11.564 -5.882 1.00 0.00 C ATOM 482 O ALA A 35 11.018 -11.125 -5.331 1.00 0.00 O ATOM 483 CB ALA A 35 8.024 -11.847 -4.386 1.00 0.00 C ATOM 0 H ALA A 35 9.625 -13.375 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 35 8.632 -13.190 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.456 -11.200 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.354 -12.578 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.485 -11.244 -3.603 1.00 0.00 H new ATOM 489 N THR A 36 9.639 -11.202 -7.107 1.00 0.00 N ATOM 490 CA THR A 36 10.416 -10.250 -7.890 1.00 0.00 C ATOM 491 C THR A 36 9.744 -8.882 -7.916 1.00 0.00 C ATOM 492 O THR A 36 10.405 -7.858 -8.090 1.00 0.00 O ATOM 493 CB THR A 36 10.612 -10.740 -9.337 1.00 0.00 C ATOM 494 OG1 THR A 36 10.702 -9.621 -10.226 1.00 0.00 O ATOM 495 CG2 THR A 36 9.463 -11.641 -9.764 1.00 0.00 C ATOM 0 H THR A 36 8.806 -11.554 -7.578 1.00 0.00 H new ATOM 0 HA THR A 36 11.390 -10.165 -7.408 1.00 0.00 H new ATOM 0 HB THR A 36 11.538 -11.313 -9.380 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.828 -9.941 -11.143 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.624 -11.974 -10.789 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.415 -12.507 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.526 -11.088 -9.705 1.00 0.00 H new ATOM 503 N HIS A 37 8.426 -8.871 -7.741 1.00 0.00 N ATOM 504 CA HIS A 37 7.665 -7.627 -7.743 1.00 0.00 C ATOM 505 C HIS A 37 6.450 -7.732 -6.825 1.00 0.00 C ATOM 506 O HIS A 37 6.097 -8.820 -6.369 1.00 0.00 O ATOM 507 CB HIS A 37 7.217 -7.280 -9.163 1.00 0.00 C ATOM 508 CG HIS A 37 6.511 -8.402 -9.859 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.172 -9.388 -10.561 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.192 -8.693 -9.957 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.291 -10.235 -11.062 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.082 -9.837 -10.709 1.00 0.00 N ATOM 0 H HIS A 37 7.863 -9.709 -7.596 1.00 0.00 H new ATOM 0 HA HIS A 37 8.313 -6.833 -7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.556 -6.414 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.089 -6.991 -9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.378 -8.130 -9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.520 -11.105 -11.659 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.209 -10.303 -10.955 1.00 0.00 H new ATOM 521 N TYR A 38 5.817 -6.595 -6.559 1.00 0.00 N ATOM 522 CA TYR A 38 4.644 -6.559 -5.693 1.00 0.00 C ATOM 523 C TYR A 38 3.498 -5.805 -6.360 1.00 0.00 C ATOM 524 O TYR A 38 3.706 -4.772 -6.999 1.00 0.00 O ATOM 525 CB TYR A 38 4.991 -5.903 -4.356 1.00 0.00 C ATOM 526 CG TYR A 38 6.384 -6.227 -3.867 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.477 -5.471 -4.271 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.607 -7.288 -2.998 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.752 -5.764 -3.827 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.879 -7.588 -2.547 1.00 0.00 C ATOM 531 CZ TYR A 38 8.948 -6.823 -2.965 1.00 0.00 C ATOM 532 OH TYR A 38 10.216 -7.117 -2.519 1.00 0.00 O ATOM 0 H TYR A 38 6.096 -5.687 -6.930 1.00 0.00 H new ATOM 0 HA TYR A 38 4.324 -7.586 -5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.892 -4.822 -4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.268 -6.222 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.327 -4.640 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.772 -7.889 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.591 -5.167 -4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.035 -8.416 -1.872 1.00 0.00 H new ATOM 0 HH TYR A 38 10.748 -6.295 -2.481 1.00 0.00 H new ATOM 542 N LEU A 39 2.286 -6.327 -6.207 1.00 0.00 N ATOM 543 CA LEU A 39 1.104 -5.704 -6.793 1.00 0.00 C ATOM 544 C LEU A 39 0.447 -4.746 -5.805 1.00 0.00 C ATOM 545 O LEU A 39 0.022 -5.150 -4.722 1.00 0.00 O ATOM 546 CB LEU A 39 0.101 -6.774 -7.227 1.00 0.00 C ATOM 547 CG LEU A 39 -0.923 -6.347 -8.279 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.949 -5.403 -7.672 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.229 -5.692 -9.465 1.00 0.00 C ATOM 0 H LEU A 39 2.096 -7.181 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 39 1.420 -5.135 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.656 -7.628 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.437 -7.118 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.443 -7.237 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.670 -5.110 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.469 -5.906 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.445 -4.516 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.974 -5.395 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.318 -4.812 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.467 -6.400 -9.916 1.00 0.00 H new ATOM 561 N VAL A 40 0.365 -3.475 -6.185 1.00 0.00 N ATOM 562 CA VAL A 40 -0.244 -2.460 -5.334 1.00 0.00 C ATOM 563 C VAL A 40 -1.626 -2.069 -5.847 1.00 0.00 C ATOM 564 O VAL A 40 -1.759 -1.500 -6.930 1.00 0.00 O ATOM 565 CB VAL A 40 0.635 -1.198 -5.249 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.111 -0.073 -4.548 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.943 -1.507 -4.535 1.00 0.00 C ATOM 0 H VAL A 40 0.713 -3.124 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.339 -2.896 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 40 0.869 -0.871 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.526 0.810 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.017 0.165 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.377 -0.387 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.552 -0.604 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.732 -1.860 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.483 -2.278 -5.083 1.00 0.00 H new ATOM 577 N ARG A 41 -2.652 -2.379 -5.061 1.00 0.00 N ATOM 578 CA ARG A 41 -4.024 -2.061 -5.435 1.00 0.00 C ATOM 579 C ARG A 41 -4.588 -0.955 -4.548 1.00 0.00 C ATOM 580 O ARG A 41 -4.853 -1.170 -3.365 1.00 0.00 O ATOM 581 CB ARG A 41 -4.905 -3.308 -5.335 1.00 0.00 C ATOM 582 CG ARG A 41 -6.072 -3.309 -6.308 1.00 0.00 C ATOM 583 CD ARG A 41 -7.175 -4.252 -5.854 1.00 0.00 C ATOM 584 NE ARG A 41 -8.060 -3.627 -4.875 1.00 0.00 N ATOM 585 CZ ARG A 41 -9.109 -4.239 -4.336 1.00 0.00 C ATOM 586 NH1 ARG A 41 -9.402 -5.485 -4.680 1.00 0.00 N ATOM 587 NH2 ARG A 41 -9.867 -3.604 -3.451 1.00 0.00 N ATOM 0 H ARG A 41 -2.559 -2.850 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.020 -1.709 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.292 -4.191 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.290 -3.390 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.471 -2.299 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.722 -3.606 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.758 -4.571 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.731 -5.148 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.862 -2.668 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.822 -5.976 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.208 -5.953 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.645 -2.645 -3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.672 -4.075 -3.038 1.00 0.00 H new ATOM 601 N CYS A 42 -4.767 0.227 -5.127 1.00 0.00 N ATOM 602 CA CYS A 42 -5.297 1.368 -4.388 1.00 0.00 C ATOM 603 C CYS A 42 -6.804 1.492 -4.589 1.00 0.00 C ATOM 604 O CYS A 42 -7.268 1.843 -5.674 1.00 0.00 O ATOM 605 CB CYS A 42 -4.603 2.656 -4.831 1.00 0.00 C ATOM 606 SG CYS A 42 -5.258 4.152 -4.055 1.00 0.00 S ATOM 0 H CYS A 42 -4.553 0.421 -6.105 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.102 1.206 -3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.539 2.579 -4.606 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.694 2.751 -5.913 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.548 4.194 -4.213 1.00 0.00 H new ATOM 612 N SER A 43 -7.562 1.202 -3.537 1.00 0.00 N ATOM 613 CA SER A 43 -9.017 1.276 -3.600 1.00 0.00 C ATOM 614 C SER A 43 -9.567 2.136 -2.466 1.00 0.00 C ATOM 615 O SER A 43 -9.046 2.145 -1.350 1.00 0.00 O ATOM 616 CB SER A 43 -9.624 -0.127 -3.531 1.00 0.00 C ATOM 617 OG SER A 43 -9.755 -0.560 -2.188 1.00 0.00 O ATOM 0 H SER A 43 -7.193 0.914 -2.631 1.00 0.00 H new ATOM 0 HA SER A 43 -9.292 1.737 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.601 -0.128 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.995 -0.826 -4.082 1.00 0.00 H new ATOM 0 HG SER A 43 -10.521 -1.167 -2.113 1.00 0.00 H new ATOM 623 N PRO A 44 -10.645 2.879 -2.757 1.00 0.00 N ATOM 624 CA PRO A 44 -11.290 3.757 -1.776 1.00 0.00 C ATOM 625 C PRO A 44 -12.004 2.975 -0.679 1.00 0.00 C ATOM 626 O PRO A 44 -12.722 2.015 -0.955 1.00 0.00 O ATOM 627 CB PRO A 44 -12.300 4.544 -2.615 1.00 0.00 C ATOM 628 CG PRO A 44 -12.592 3.664 -3.781 1.00 0.00 C ATOM 629 CD PRO A 44 -11.318 2.918 -4.066 1.00 0.00 C ATOM 0 HA PRO A 44 -10.568 4.384 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.204 4.760 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.888 5.501 -2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.406 2.975 -3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.902 4.251 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.516 1.916 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.712 3.429 -4.814 1.00 0.00 H new ATOM 637 N ALA A 45 -11.801 3.392 0.566 1.00 0.00 N ATOM 638 CA ALA A 45 -12.427 2.731 1.705 1.00 0.00 C ATOM 639 C ALA A 45 -13.924 3.016 1.749 1.00 0.00 C ATOM 640 O ALA A 45 -14.667 2.372 2.490 1.00 0.00 O ATOM 641 CB ALA A 45 -11.765 3.174 3.001 1.00 0.00 C ATOM 0 H ALA A 45 -11.208 4.185 0.812 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.291 1.656 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.242 2.673 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.707 2.914 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.871 4.253 3.113 1.00 0.00 H new ATOM 761 N ARG A 54 -7.206 1.346 -8.412 1.00 0.00 N ATOM 762 CA ARG A 54 -5.998 1.404 -9.227 1.00 0.00 C ATOM 763 C ARG A 54 -5.110 0.190 -8.970 1.00 0.00 C ATOM 764 O ARG A 54 -5.048 -0.319 -7.851 1.00 0.00 O ATOM 765 CB ARG A 54 -5.221 2.689 -8.933 1.00 0.00 C ATOM 766 CG ARG A 54 -4.013 2.889 -9.834 1.00 0.00 C ATOM 767 CD ARG A 54 -4.426 3.330 -11.230 1.00 0.00 C ATOM 768 NE ARG A 54 -3.472 2.894 -12.246 1.00 0.00 N ATOM 769 CZ ARG A 54 -3.540 3.258 -13.522 1.00 0.00 C ATOM 770 NH1 ARG A 54 -4.512 4.060 -13.935 1.00 0.00 N ATOM 771 NH2 ARG A 54 -2.634 2.820 -14.387 1.00 0.00 N ATOM 0 HA ARG A 54 -6.296 1.399 -10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.891 3.542 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.891 2.674 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.351 3.636 -9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.447 1.960 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.412 2.926 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.513 4.416 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.712 2.276 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.210 4.399 -13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.562 4.338 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.885 2.203 -14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.687 3.100 -15.366 1.00 0.00 H new ATOM 785 N GLU A 55 -4.426 -0.268 -10.014 1.00 0.00 N ATOM 786 CA GLU A 55 -3.543 -1.423 -9.901 1.00 0.00 C ATOM 787 C GLU A 55 -2.199 -1.148 -10.568 1.00 0.00 C ATOM 788 O GLU A 55 -2.111 -1.038 -11.791 1.00 0.00 O ATOM 789 CB GLU A 55 -4.196 -2.655 -10.532 1.00 0.00 C ATOM 790 CG GLU A 55 -5.649 -2.846 -10.131 1.00 0.00 C ATOM 791 CD GLU A 55 -6.141 -4.259 -10.381 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.743 -4.853 -11.405 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.925 -4.769 -9.553 1.00 0.00 O ATOM 0 H GLU A 55 -4.466 0.143 -10.947 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.370 -1.614 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.135 -2.572 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.630 -3.542 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.765 -2.606 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.271 -2.145 -10.687 1.00 0.00 H new ATOM 800 N VAL A 56 -1.153 -1.037 -9.755 1.00 0.00 N ATOM 801 CA VAL A 56 0.187 -0.775 -10.265 1.00 0.00 C ATOM 802 C VAL A 56 1.203 -1.738 -9.661 1.00 0.00 C ATOM 803 O VAL A 56 0.963 -2.327 -8.607 1.00 0.00 O ATOM 804 CB VAL A 56 0.628 0.671 -9.969 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.055 1.642 -10.920 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.331 1.033 -8.522 1.00 0.00 C ATOM 0 H VAL A 56 -1.208 -1.125 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 56 0.149 -0.921 -11.344 1.00 0.00 H new ATOM 0 HB VAL A 56 1.705 0.743 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.268 2.659 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.212 1.394 -11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.136 1.570 -10.799 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.649 2.058 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.740 0.945 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.870 0.356 -7.860 1.00 0.00 H new ATOM 816 N GLN A 57 2.338 -1.892 -10.335 1.00 0.00 N ATOM 817 CA GLN A 57 3.391 -2.784 -9.864 1.00 0.00 C ATOM 818 C GLN A 57 4.669 -2.007 -9.564 1.00 0.00 C ATOM 819 O GLN A 57 5.168 -1.263 -10.408 1.00 0.00 O ATOM 820 CB GLN A 57 3.672 -3.869 -10.904 1.00 0.00 C ATOM 821 CG GLN A 57 2.751 -5.073 -10.790 1.00 0.00 C ATOM 822 CD GLN A 57 2.919 -6.046 -11.941 1.00 0.00 C ATOM 823 OE1 GLN A 57 4.036 -6.314 -12.385 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.807 -6.582 -12.430 1.00 0.00 N ATOM 0 H GLN A 57 2.552 -1.411 -11.209 1.00 0.00 H new ATOM 0 HA GLN A 57 3.049 -3.254 -8.942 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.573 -3.439 -11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.705 -4.201 -10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.949 -5.589 -9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.716 -4.732 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.902 -6.331 -12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.858 -7.244 -13.204 1.00 0.00 H new ATOM 833 N VAL A 58 5.193 -2.184 -8.355 1.00 0.00 N ATOM 834 CA VAL A 58 6.414 -1.500 -7.944 1.00 0.00 C ATOM 835 C VAL A 58 7.528 -2.497 -7.645 1.00 0.00 C ATOM 836 O VAL A 58 7.269 -3.637 -7.262 1.00 0.00 O ATOM 837 CB VAL A 58 6.175 -0.625 -6.699 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.282 0.558 -7.041 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.570 -1.453 -5.575 1.00 0.00 C ATOM 0 H VAL A 58 4.792 -2.795 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 58 6.715 -0.862 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 58 7.135 -0.238 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.124 1.165 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.759 1.163 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.322 0.195 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.408 -0.819 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.618 -1.870 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.250 -2.263 -5.313 1.00 0.00 H new ATOM 849 N GLY A 59 8.771 -2.058 -7.821 1.00 0.00 N ATOM 850 CA GLY A 59 9.907 -2.924 -7.565 1.00 0.00 C ATOM 851 C GLY A 59 10.343 -2.894 -6.114 1.00 0.00 C ATOM 852 O GLY A 59 10.972 -3.834 -5.629 1.00 0.00 O ATOM 0 H GLY A 59 9.011 -1.118 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.651 -3.946 -7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.741 -2.621 -8.198 1.00 0.00 H new ATOM 856 N ARG A 60 10.009 -1.812 -5.419 1.00 0.00 N ATOM 857 CA ARG A 60 10.373 -1.662 -4.015 1.00 0.00 C ATOM 858 C ARG A 60 9.147 -1.803 -3.118 1.00 0.00 C ATOM 859 O ARG A 60 8.017 -1.526 -3.521 1.00 0.00 O ATOM 860 CB ARG A 60 11.037 -0.304 -3.780 1.00 0.00 C ATOM 861 CG ARG A 60 10.143 0.877 -4.118 1.00 0.00 C ATOM 862 CD ARG A 60 10.927 2.180 -4.141 1.00 0.00 C ATOM 863 NE ARG A 60 11.757 2.299 -5.336 1.00 0.00 N ATOM 864 CZ ARG A 60 11.266 2.472 -6.558 1.00 0.00 C ATOM 865 NH1 ARG A 60 9.955 2.547 -6.745 1.00 0.00 N ATOM 866 NH2 ARG A 60 12.086 2.571 -7.597 1.00 0.00 N ATOM 0 H ARG A 60 9.487 -1.026 -5.805 1.00 0.00 H new ATOM 0 HA ARG A 60 11.080 -2.452 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.339 -0.233 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.945 -0.245 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.676 0.715 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.339 0.948 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.234 3.020 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.558 2.239 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 60 12.770 2.246 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.321 2.472 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.581 2.680 -7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.095 2.514 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.707 2.704 -8.535 1.00 0.00 H new ATOM 880 N PRO A 61 9.373 -2.245 -1.872 1.00 0.00 N ATOM 881 CA PRO A 61 8.299 -2.433 -0.891 1.00 0.00 C ATOM 882 C PRO A 61 7.707 -1.109 -0.420 1.00 0.00 C ATOM 883 O PRO A 61 6.831 -1.084 0.444 1.00 0.00 O ATOM 884 CB PRO A 61 8.998 -3.148 0.267 1.00 0.00 C ATOM 885 CG PRO A 61 10.430 -2.754 0.148 1.00 0.00 C ATOM 886 CD PRO A 61 10.694 -2.594 -1.323 1.00 0.00 C ATOM 0 HA PRO A 61 7.459 -2.988 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.583 -2.844 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.878 -4.229 0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.625 -1.824 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.081 -3.513 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.429 -1.812 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.082 -3.512 -1.764 1.00 0.00 H new ATOM 894 N GLU A 62 8.190 -0.012 -0.994 1.00 0.00 N ATOM 895 CA GLU A 62 7.707 1.315 -0.631 1.00 0.00 C ATOM 896 C GLU A 62 6.980 1.969 -1.803 1.00 0.00 C ATOM 897 O GLU A 62 7.510 2.048 -2.911 1.00 0.00 O ATOM 898 CB GLU A 62 8.871 2.201 -0.181 1.00 0.00 C ATOM 899 CG GLU A 62 9.891 2.467 -1.275 1.00 0.00 C ATOM 900 CD GLU A 62 11.037 3.342 -0.803 1.00 0.00 C ATOM 901 OE1 GLU A 62 10.835 4.568 -0.682 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.134 2.800 -0.556 1.00 0.00 O ATOM 0 H GLU A 62 8.915 -0.016 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 62 7.004 1.204 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.476 3.152 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.372 1.728 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.288 1.518 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.396 2.947 -2.119 1.00 0.00 H new ATOM 909 N VAL A 63 5.762 2.437 -1.549 1.00 0.00 N ATOM 910 CA VAL A 63 4.961 3.084 -2.582 1.00 0.00 C ATOM 911 C VAL A 63 4.362 4.391 -2.074 1.00 0.00 C ATOM 912 O VAL A 63 3.988 4.503 -0.906 1.00 0.00 O ATOM 913 CB VAL A 63 3.824 2.166 -3.069 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.822 1.918 -1.952 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.139 2.768 -4.287 1.00 0.00 C ATOM 0 H VAL A 63 5.308 2.380 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 63 5.630 3.294 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 63 4.253 1.207 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.026 1.268 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.325 1.441 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.395 2.867 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.338 2.107 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.722 3.741 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.866 2.889 -5.091 1.00 0.00 H new ATOM 925 N LEU A 64 4.273 5.378 -2.958 1.00 0.00 N ATOM 926 CA LEU A 64 3.719 6.679 -2.600 1.00 0.00 C ATOM 927 C LEU A 64 2.646 7.107 -3.597 1.00 0.00 C ATOM 928 O LEU A 64 2.916 7.256 -4.790 1.00 0.00 O ATOM 929 CB LEU A 64 4.828 7.731 -2.545 1.00 0.00 C ATOM 930 CG LEU A 64 4.369 9.185 -2.429 1.00 0.00 C ATOM 931 CD1 LEU A 64 3.665 9.418 -1.102 1.00 0.00 C ATOM 932 CD2 LEU A 64 5.552 10.131 -2.581 1.00 0.00 C ATOM 0 H LEU A 64 4.577 5.302 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 64 3.260 6.592 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.473 7.506 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.438 7.634 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 64 3.661 9.388 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.346 10.458 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.794 8.766 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.350 9.197 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.207 11.161 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.284 9.927 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.014 9.982 -3.557 1.00 0.00 H new ATOM 944 N LEU A 65 1.430 7.305 -3.101 1.00 0.00 N ATOM 945 CA LEU A 65 0.316 7.718 -3.948 1.00 0.00 C ATOM 946 C LEU A 65 0.168 9.236 -3.950 1.00 0.00 C ATOM 947 O LEU A 65 -0.331 9.823 -2.990 1.00 0.00 O ATOM 948 CB LEU A 65 -0.983 7.068 -3.469 1.00 0.00 C ATOM 949 CG LEU A 65 -0.943 5.552 -3.273 1.00 0.00 C ATOM 950 CD1 LEU A 65 -2.157 5.084 -2.486 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.870 4.843 -4.617 1.00 0.00 C ATOM 0 H LEU A 65 1.190 7.186 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 65 0.525 7.390 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.269 7.529 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.769 7.301 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.048 5.301 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.112 4.003 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.165 5.567 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.065 5.347 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.842 3.765 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.746 5.100 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.031 5.155 -5.145 1.00 0.00 H new ATOM 963 N ASP A 66 0.604 9.866 -5.036 1.00 0.00 N ATOM 964 CA ASP A 66 0.517 11.316 -5.165 1.00 0.00 C ATOM 965 C ASP A 66 -0.869 11.737 -5.644 1.00 0.00 C ATOM 966 O ASP A 66 -1.491 11.052 -6.456 1.00 0.00 O ATOM 967 CB ASP A 66 1.583 11.828 -6.135 1.00 0.00 C ATOM 968 CG ASP A 66 1.547 11.106 -7.468 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.460 10.630 -7.855 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.606 11.017 -8.124 1.00 0.00 O ATOM 0 H ASP A 66 1.021 9.395 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 66 0.691 11.754 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.438 12.896 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.568 11.706 -5.685 1.00 0.00 H new ATOM 975 N GLY A 67 -1.347 12.868 -5.135 1.00 0.00 N ATOM 976 CA GLY A 67 -2.657 13.360 -5.522 1.00 0.00 C ATOM 977 C GLY A 67 -3.776 12.717 -4.727 1.00 0.00 C ATOM 978 O GLY A 67 -4.484 11.844 -5.231 1.00 0.00 O ATOM 0 H GLY A 67 -0.851 13.452 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.691 14.441 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.814 13.170 -6.584 1.00 0.00 H new ATOM 982 N LEU A 68 -3.936 13.147 -3.480 1.00 0.00 N ATOM 983 CA LEU A 68 -4.976 12.606 -2.612 1.00 0.00 C ATOM 984 C LEU A 68 -5.793 13.727 -1.977 1.00 0.00 C ATOM 985 O LEU A 68 -5.538 14.907 -2.219 1.00 0.00 O ATOM 986 CB LEU A 68 -4.355 11.732 -1.522 1.00 0.00 C ATOM 987 CG LEU A 68 -3.627 10.476 -2.002 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.780 9.889 -0.883 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.624 9.446 -2.515 1.00 0.00 C ATOM 0 H LEU A 68 -3.359 13.868 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.642 11.996 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.652 12.340 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.144 11.430 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.966 10.754 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.270 8.996 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.042 10.624 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.421 9.626 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.089 8.558 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.310 9.173 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.188 9.868 -3.347 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.774 13.350 -1.163 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.626 14.325 -0.493 1.00 0.00 C ATOM 1003 C GLU A 69 -7.477 14.227 1.023 1.00 0.00 C ATOM 1004 O GLU A 69 -7.309 13.146 1.587 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.090 14.112 -0.886 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.387 14.459 -2.335 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.523 15.952 -2.561 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -8.549 16.684 -2.286 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -10.602 16.389 -3.013 1.00 0.00 O ATOM 0 H GLU A 69 -6.998 12.378 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.313 15.320 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.357 13.070 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.723 14.719 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.590 14.071 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.308 13.963 -2.642 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.538 15.384 1.698 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.411 15.457 3.157 1.00 0.00 C ATOM 1018 C PRO A 70 -8.618 14.861 3.874 1.00 0.00 C ATOM 1019 O PRO A 70 -9.763 15.141 3.520 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.315 16.960 3.431 1.00 0.00 C ATOM 1021 CG PRO A 70 -8.001 17.600 2.274 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.736 16.711 1.091 1.00 0.00 C ATOM 0 HA PRO A 70 -6.555 14.889 3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.798 17.223 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.277 17.284 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.071 17.695 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.617 18.605 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.573 16.712 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.856 17.034 0.535 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.354 14.039 4.885 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.429 13.417 5.636 1.00 0.00 C ATOM 1032 C GLY A 71 -10.164 12.363 4.831 1.00 0.00 C ATOM 1033 O GLY A 71 -11.394 12.309 4.844 1.00 0.00 O ATOM 0 H GLY A 71 -7.415 13.793 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.021 12.962 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.135 14.183 5.956 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.409 11.524 4.129 1.00 0.00 N ATOM 1038 CA ARG A 72 -9.997 10.469 3.312 1.00 0.00 C ATOM 1039 C ARG A 72 -9.325 9.128 3.592 1.00 0.00 C ATOM 1040 O ARG A 72 -8.098 9.034 3.637 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.872 10.814 1.827 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.980 10.224 0.970 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.186 11.147 0.906 1.00 0.00 C ATOM 1044 NE ARG A 72 -11.910 12.356 0.134 1.00 0.00 N ATOM 1045 CZ ARG A 72 -12.641 13.462 0.214 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -13.688 13.511 1.027 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -12.326 14.522 -0.519 1.00 0.00 N ATOM 0 H ARG A 72 -8.390 11.554 4.110 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.053 10.389 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.874 11.898 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.910 10.457 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.605 10.043 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.281 9.258 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.026 10.615 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.485 11.423 1.917 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.112 12.351 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.933 12.698 1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.248 14.361 1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.521 14.488 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.888 15.371 -0.456 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.137 8.093 3.780 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.621 6.757 4.054 1.00 0.00 C ATOM 1063 C ASP A 73 -9.397 5.984 2.759 1.00 0.00 C ATOM 1064 O ASP A 73 -10.210 6.048 1.837 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.587 5.990 4.959 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.603 6.528 6.377 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -9.576 6.390 7.075 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -11.641 7.087 6.788 1.00 0.00 O ATOM 0 H ASP A 73 -11.155 8.154 3.748 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.663 6.862 4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.592 6.045 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.306 4.937 4.976 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.288 5.255 2.695 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.955 4.472 1.511 1.00 0.00 C ATOM 1075 C TYR A 74 -7.603 3.037 1.888 1.00 0.00 C ATOM 1076 O TYR A 74 -7.302 2.744 3.045 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.787 5.115 0.761 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.175 6.353 -0.016 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.821 6.254 -1.242 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.896 7.622 0.476 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.176 7.382 -1.956 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.249 8.756 -0.230 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.888 8.630 -1.446 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.242 9.757 -2.153 1.00 0.00 O ATOM 0 H TYR A 74 -7.605 5.190 3.449 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.830 4.453 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.006 5.375 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.360 4.384 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.050 5.278 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.394 7.724 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.676 7.287 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.026 9.735 0.168 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.969 10.555 -1.655 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.642 2.146 0.902 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.327 0.741 1.130 1.00 0.00 C ATOM 1096 C GLU A 75 -6.281 0.249 0.133 1.00 0.00 C ATOM 1097 O GLU A 75 -6.575 0.051 -1.046 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.592 -0.113 1.021 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.367 -0.222 2.324 1.00 0.00 C ATOM 1100 CD GLU A 75 -8.535 -0.804 3.450 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -7.864 -1.833 3.220 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -8.554 -0.233 4.560 1.00 0.00 O ATOM 0 H GLU A 75 -7.888 2.372 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.919 0.646 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.242 0.311 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.317 -1.113 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.724 0.766 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.247 -0.845 2.168 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.058 0.053 0.616 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.968 -0.416 -0.231 1.00 0.00 C ATOM 1111 C VAL A 76 -3.553 -1.834 0.143 1.00 0.00 C ATOM 1112 O VAL A 76 -3.086 -2.083 1.254 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.741 0.510 -0.130 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.680 0.102 -1.141 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.150 1.961 -0.332 1.00 0.00 C ATOM 0 H VAL A 76 -4.797 0.212 1.589 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.337 -0.407 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.315 0.412 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.821 0.767 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.366 -0.923 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.092 0.169 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.271 2.601 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.601 2.078 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.872 2.246 0.434 1.00 0.00 H new ATOM 1125 N SER A 77 -3.726 -2.762 -0.794 1.00 0.00 N ATOM 1126 CA SER A 77 -3.372 -4.157 -0.562 1.00 0.00 C ATOM 1127 C SER A 77 -2.086 -4.521 -1.298 1.00 0.00 C ATOM 1128 O SER A 77 -1.998 -4.392 -2.519 1.00 0.00 O ATOM 1129 CB SER A 77 -4.509 -5.075 -1.015 1.00 0.00 C ATOM 1130 OG SER A 77 -5.093 -4.609 -2.219 1.00 0.00 O ATOM 0 H SER A 77 -4.109 -2.572 -1.720 1.00 0.00 H new ATOM 0 HA SER A 77 -3.209 -4.292 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.128 -6.086 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.269 -5.129 -0.236 1.00 0.00 H new ATOM 0 HG SER A 77 -5.816 -5.214 -2.488 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.090 -4.977 -0.545 1.00 0.00 N ATOM 1137 CA VAL A 78 0.192 -5.361 -1.124 1.00 0.00 C ATOM 1138 C VAL A 78 0.317 -6.877 -1.225 1.00 0.00 C ATOM 1139 O VAL A 78 -0.082 -7.604 -0.316 1.00 0.00 O ATOM 1140 CB VAL A 78 1.369 -4.815 -0.294 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.695 -5.259 -0.891 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.297 -3.298 -0.203 1.00 0.00 C ATOM 0 H VAL A 78 -1.146 -5.090 0.467 1.00 0.00 H new ATOM 0 HA VAL A 78 0.230 -4.928 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 78 1.299 -5.221 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.515 -4.864 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.744 -6.348 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.778 -4.884 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.136 -2.929 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.342 -2.871 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.362 -3.006 0.274 1.00 0.00 H new ATOM 1152 N GLN A 79 0.874 -7.347 -2.337 1.00 0.00 N ATOM 1153 CA GLN A 79 1.051 -8.777 -2.557 1.00 0.00 C ATOM 1154 C GLN A 79 2.419 -9.069 -3.165 1.00 0.00 C ATOM 1155 O GLN A 79 2.876 -8.358 -4.060 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.052 -9.314 -3.470 1.00 0.00 C ATOM 1157 CG GLN A 79 0.210 -10.724 -3.975 1.00 0.00 C ATOM 1158 CD GLN A 79 -0.701 -11.111 -5.124 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -0.984 -10.300 -6.007 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.164 -12.355 -5.120 1.00 0.00 N ATOM 0 H GLN A 79 1.210 -6.758 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 79 0.989 -9.278 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.998 -9.300 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.163 -8.646 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.248 -10.803 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.075 -11.430 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.904 -12.994 -4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.780 -12.672 -5.869 1.00 0.00 H new ATOM 1169 N SER A 80 3.068 -10.119 -2.673 1.00 0.00 N ATOM 1170 CA SER A 80 4.386 -10.503 -3.166 1.00 0.00 C ATOM 1171 C SER A 80 4.268 -11.369 -4.416 1.00 0.00 C ATOM 1172 O SER A 80 4.032 -12.575 -4.330 1.00 0.00 O ATOM 1173 CB SER A 80 5.160 -11.255 -2.082 1.00 0.00 C ATOM 1174 OG SER A 80 4.901 -10.710 -0.799 1.00 0.00 O ATOM 0 H SER A 80 2.703 -10.719 -1.933 1.00 0.00 H new ATOM 0 HA SER A 80 4.928 -9.594 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.881 -12.309 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.228 -11.205 -2.293 1.00 0.00 H new ATOM 0 HG SER A 80 3.991 -10.944 -0.522 1.00 0.00 H new ATOM 1180 N LEU A 81 4.432 -10.746 -5.578 1.00 0.00 N ATOM 1181 CA LEU A 81 4.344 -11.459 -6.848 1.00 0.00 C ATOM 1182 C LEU A 81 5.710 -11.992 -7.268 1.00 0.00 C ATOM 1183 O LEU A 81 6.695 -11.254 -7.294 1.00 0.00 O ATOM 1184 CB LEU A 81 3.787 -10.538 -7.934 1.00 0.00 C ATOM 1185 CG LEU A 81 2.308 -10.170 -7.809 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.845 -9.396 -9.034 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.463 -11.420 -7.615 1.00 0.00 C ATOM 0 H LEU A 81 4.627 -9.749 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 81 3.669 -12.305 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.371 -9.618 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.941 -11.016 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 81 2.184 -9.532 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.790 -9.143 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.430 -8.481 -9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.983 -10.009 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.413 -11.140 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.592 -12.083 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.778 -11.935 -6.707 1.00 0.00 H new ATOM 1199 N ARG A 82 5.761 -13.278 -7.599 1.00 0.00 N ATOM 1200 CA ARG A 82 7.005 -13.910 -8.019 1.00 0.00 C ATOM 1201 C ARG A 82 6.915 -14.376 -9.470 1.00 0.00 C ATOM 1202 O ARG A 82 7.926 -14.476 -10.164 1.00 0.00 O ATOM 1203 CB ARG A 82 7.332 -15.097 -7.111 1.00 0.00 C ATOM 1204 CG ARG A 82 8.650 -15.776 -7.446 1.00 0.00 C ATOM 1205 CD ARG A 82 8.460 -16.893 -8.460 1.00 0.00 C ATOM 1206 NE ARG A 82 9.478 -17.931 -8.328 1.00 0.00 N ATOM 1207 CZ ARG A 82 9.511 -18.805 -7.328 1.00 0.00 C ATOM 1208 NH1 ARG A 82 8.588 -18.766 -6.378 1.00 0.00 N ATOM 1209 NH2 ARG A 82 10.470 -19.721 -7.277 1.00 0.00 N ATOM 0 H ARG A 82 4.955 -13.903 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 82 7.803 -13.171 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.362 -14.755 -6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.528 -15.829 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.350 -15.040 -7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.093 -16.181 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.472 -17.336 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.494 -16.478 -9.467 1.00 0.00 H new ATOM 0 HE ARG A 82 10.204 -17.988 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.849 -18.064 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.616 -19.439 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.183 -19.754 -8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.494 -20.392 -6.509 1.00 0.00 H new ATOM 1223 N GLY A 83 5.697 -14.661 -9.920 1.00 0.00 N ATOM 1224 CA GLY A 83 5.498 -15.114 -11.284 1.00 0.00 C ATOM 1225 C GLY A 83 4.093 -15.631 -11.524 1.00 0.00 C ATOM 1226 O GLY A 83 3.169 -14.870 -11.811 1.00 0.00 O ATOM 0 H GLY A 83 4.845 -14.586 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.701 -14.292 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.216 -15.903 -11.510 1.00 0.00 H new ATOM 1230 N PRO A 84 3.919 -16.956 -11.408 1.00 0.00 N ATOM 1231 CA PRO A 84 2.620 -17.604 -11.611 1.00 0.00 C ATOM 1232 C PRO A 84 1.629 -17.277 -10.500 1.00 0.00 C ATOM 1233 O PRO A 84 0.495 -16.880 -10.765 1.00 0.00 O ATOM 1234 CB PRO A 84 2.963 -19.096 -11.601 1.00 0.00 C ATOM 1235 CG PRO A 84 4.215 -19.192 -10.800 1.00 0.00 C ATOM 1236 CD PRO A 84 4.976 -17.923 -11.069 1.00 0.00 C ATOM 0 HA PRO A 84 2.137 -17.270 -12.529 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.161 -19.683 -11.154 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.110 -19.475 -12.612 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.992 -19.296 -9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.798 -20.066 -11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.547 -17.605 -10.197 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.686 -18.046 -11.887 1.00 0.00 H new ATOM 1244 N GLU A 85 2.065 -17.447 -9.256 1.00 0.00 N ATOM 1245 CA GLU A 85 1.214 -17.170 -8.104 1.00 0.00 C ATOM 1246 C GLU A 85 1.915 -16.237 -7.121 1.00 0.00 C ATOM 1247 O GLU A 85 3.141 -16.235 -7.017 1.00 0.00 O ATOM 1248 CB GLU A 85 0.829 -18.473 -7.401 1.00 0.00 C ATOM 1249 CG GLU A 85 2.023 -19.293 -6.941 1.00 0.00 C ATOM 1250 CD GLU A 85 1.677 -20.751 -6.711 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.662 -21.519 -7.695 1.00 0.00 O ATOM 1252 OE2 GLU A 85 1.420 -21.123 -5.547 1.00 0.00 O ATOM 0 H GLU A 85 3.002 -17.775 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 85 0.310 -16.678 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.205 -18.240 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.224 -19.076 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.815 -19.225 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.417 -18.867 -6.018 1.00 0.00 H new ATOM 1259 N GLY A 86 1.127 -15.443 -6.403 1.00 0.00 N ATOM 1260 CA GLY A 86 1.689 -14.515 -5.439 1.00 0.00 C ATOM 1261 C GLY A 86 1.365 -14.899 -4.008 1.00 0.00 C ATOM 1262 O GLY A 86 0.848 -15.986 -3.752 1.00 0.00 O ATOM 0 H GLY A 86 0.109 -15.426 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.771 -14.475 -5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.308 -13.513 -5.638 1.00 0.00 H new ATOM 1266 N SER A 87 1.672 -14.005 -3.074 1.00 0.00 N ATOM 1267 CA SER A 87 1.415 -14.257 -1.661 1.00 0.00 C ATOM 1268 C SER A 87 0.011 -13.803 -1.274 1.00 0.00 C ATOM 1269 O SER A 87 -0.750 -13.322 -2.113 1.00 0.00 O ATOM 1270 CB SER A 87 2.452 -13.539 -0.796 1.00 0.00 C ATOM 1271 OG SER A 87 2.282 -12.134 -0.856 1.00 0.00 O ATOM 0 H SER A 87 2.099 -13.100 -3.270 1.00 0.00 H new ATOM 0 HA SER A 87 1.490 -15.331 -1.490 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.364 -13.875 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.455 -13.802 -1.132 1.00 0.00 H new ATOM 0 HG SER A 87 1.582 -11.917 -1.507 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.324 -13.959 0.003 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.637 -13.566 0.502 1.00 0.00 C ATOM 1279 C GLU A 88 -1.817 -12.052 0.424 1.00 0.00 C ATOM 1280 O GLU A 88 -0.846 -11.307 0.300 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.821 -14.038 1.945 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.330 -15.466 2.058 1.00 0.00 C ATOM 1283 CD GLU A 88 -1.410 -16.467 1.385 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -0.179 -16.259 1.422 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -1.921 -17.458 0.822 1.00 0.00 O ATOM 0 H GLU A 88 0.295 -14.354 0.711 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.392 -14.038 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.868 -13.958 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.520 -13.371 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.438 -15.727 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.322 -15.531 1.610 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.067 -11.607 0.496 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.375 -10.183 0.436 1.00 0.00 C ATOM 1294 C ALA A 89 -3.193 -9.523 1.798 1.00 0.00 C ATOM 1295 O ALA A 89 -3.870 -9.876 2.765 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.795 -9.972 -0.070 1.00 0.00 C ATOM 0 H ALA A 89 -3.883 -12.211 0.596 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.679 -9.715 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.012 -8.905 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.893 -10.400 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.498 -10.460 0.605 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.275 -8.565 1.868 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.003 -7.858 3.114 1.00 0.00 C ATOM 1304 C ARG A 90 -2.005 -6.348 2.893 1.00 0.00 C ATOM 1305 O ARG A 90 -1.076 -5.795 2.307 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.656 -8.297 3.691 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.547 -9.798 3.907 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.427 -10.262 5.057 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.753 -11.682 4.959 1.00 0.00 N ATOM 1310 CZ ARG A 90 -2.328 -12.373 5.936 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.641 -11.777 7.079 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -2.594 -13.663 5.771 1.00 0.00 N ATOM 0 H ARG A 90 -1.707 -8.260 1.077 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.793 -8.106 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.140 -7.976 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.494 -7.789 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.835 -10.320 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.490 -10.063 4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.919 -10.071 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.348 -9.679 5.067 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.527 -12.170 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.440 -10.785 7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.083 -12.310 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.357 -14.124 4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.036 -14.193 6.522 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.057 -5.687 3.367 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.161 -4.248 3.210 1.00 0.00 C ATOM 1328 C GLY A 91 -3.380 -3.536 4.531 1.00 0.00 C ATOM 1329 O GLY A 91 -3.742 -4.161 5.528 1.00 0.00 O ATOM 0 H GLY A 91 -3.839 -6.122 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.252 -3.870 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.985 -4.018 2.535 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.158 -2.226 4.538 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.332 -1.429 5.746 1.00 0.00 C ATOM 1335 C ILE A 92 -4.432 -0.388 5.564 1.00 0.00 C ATOM 1336 O ILE A 92 -4.815 -0.065 4.439 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.027 -0.715 6.143 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.192 -0.019 7.496 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.624 0.287 5.071 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.878 0.336 8.157 1.00 0.00 C ATOM 0 H ILE A 92 -2.857 -1.694 3.721 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.615 -2.119 6.541 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.236 -1.459 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.778 0.890 7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.761 -0.667 8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.700 0.784 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.470 -0.234 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.413 1.030 4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.071 0.826 9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.299 -0.572 8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.316 1.010 7.510 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.936 0.133 6.678 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.992 1.138 6.641 1.00 0.00 C ATOM 1354 C ARG A 93 -5.403 2.542 6.534 1.00 0.00 C ATOM 1355 O ARG A 93 -5.043 3.153 7.540 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.867 1.034 7.891 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.981 2.067 7.942 1.00 0.00 C ATOM 1358 CD ARG A 93 -9.133 1.688 7.024 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.911 0.571 7.553 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.683 0.658 8.630 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -10.781 1.804 9.289 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -11.360 -0.404 9.050 1.00 0.00 N ATOM 0 H ARG A 93 -4.630 -0.124 7.617 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.606 0.952 5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.305 0.037 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.239 1.146 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.345 2.161 8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.589 3.042 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.785 2.550 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.742 1.424 6.042 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.859 -0.325 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.263 2.622 8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.375 1.868 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.287 -1.287 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.953 -0.336 9.877 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.308 3.047 5.309 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.765 4.378 5.071 1.00 0.00 C ATOM 1378 C ALA A 94 -5.543 5.435 5.847 1.00 0.00 C ATOM 1379 O ALA A 94 -6.643 5.177 6.334 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.779 4.696 3.583 1.00 0.00 C ATOM 0 H ALA A 94 -5.600 2.554 4.465 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.734 4.391 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.371 5.693 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.173 3.964 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.803 4.659 3.213 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.963 6.626 5.959 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.602 7.722 6.678 1.00 0.00 C ATOM 1388 C ARG A 95 -4.785 9.004 6.552 1.00 0.00 C ATOM 1389 O ARG A 95 -3.554 8.976 6.594 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.777 7.358 8.154 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.810 8.564 9.078 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.413 8.959 9.530 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.616 7.799 9.919 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.746 7.175 11.085 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.637 7.597 11.970 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.984 6.126 11.366 1.00 0.00 N ATOM 0 H ARG A 95 -4.052 6.856 5.561 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.583 7.892 6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.702 6.794 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.962 6.701 8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.278 9.404 8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.425 8.339 9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.908 9.492 8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.485 9.648 10.372 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.921 7.448 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.225 8.403 11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.735 7.116 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.298 5.798 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.085 5.648 12.261 1.00 0.00 H new ATOM 1410 N THR A 96 -5.477 10.128 6.397 1.00 0.00 N ATOM 1411 CA THR A 96 -4.817 11.421 6.263 1.00 0.00 C ATOM 1412 C THR A 96 -5.583 12.510 7.005 1.00 0.00 C ATOM 1413 O THR A 96 -6.814 12.523 7.037 1.00 0.00 O ATOM 1414 CB THR A 96 -4.672 11.827 4.785 1.00 0.00 C ATOM 1415 OG1 THR A 96 -5.963 11.925 4.175 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.823 10.818 4.027 1.00 0.00 C ATOM 0 H THR A 96 -6.496 10.169 6.361 1.00 0.00 H new ATOM 0 HA THR A 96 -3.825 11.316 6.702 1.00 0.00 H new ATOM 0 HB THR A 96 -4.177 12.797 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.893 12.437 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.735 11.126 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.831 10.767 4.476 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.294 9.836 4.076 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.842 13.446 7.615 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.432 14.557 8.367 1.00 0.00 C ATOM 1426 C PRO A 97 -6.132 15.563 7.460 1.00 0.00 C ATOM 1427 O PRO A 97 -6.351 15.302 6.277 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.224 15.203 9.051 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.064 14.850 8.185 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.370 13.491 7.618 1.00 0.00 C ATOM 0 HA PRO A 97 -6.201 14.217 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.345 16.283 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.092 14.822 10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.933 15.584 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.138 14.834 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.962 13.373 6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.945 12.695 8.230 1.00 0.00 H new ATOM 1438 N THR A 98 -6.481 16.717 8.022 1.00 0.00 N ATOM 1439 CA THR A 98 -7.157 17.762 7.264 1.00 0.00 C ATOM 1440 C THR A 98 -6.472 19.110 7.456 1.00 0.00 C ATOM 1441 O THR A 98 -6.389 19.622 8.572 1.00 0.00 O ATOM 1442 CB THR A 98 -8.636 17.887 7.676 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.737 18.056 9.094 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.422 16.657 7.249 1.00 0.00 C ATOM 0 H THR A 98 -6.306 16.951 8.999 1.00 0.00 H new ATOM 0 HA THR A 98 -7.103 17.476 6.213 1.00 0.00 H new ATOM 0 HB THR A 98 -9.057 18.759 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.003 18.624 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.464 16.768 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.367 16.548 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.999 15.772 7.724 1.00 0.00 H new ATOM 1452 N SER A 99 -5.983 19.682 6.360 1.00 0.00 N ATOM 1453 CA SER A 99 -5.302 20.970 6.408 1.00 0.00 C ATOM 1454 C SER A 99 -6.294 22.116 6.233 1.00 0.00 C ATOM 1455 O SER A 99 -7.499 21.896 6.117 1.00 0.00 O ATOM 1456 CB SER A 99 -4.226 21.043 5.324 1.00 0.00 C ATOM 1457 OG SER A 99 -3.152 21.877 5.726 1.00 0.00 O ATOM 0 H SER A 99 -6.046 19.273 5.428 1.00 0.00 H new ATOM 0 HA SER A 99 -4.830 21.067 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.852 20.042 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.661 21.425 4.400 1.00 0.00 H new ATOM 0 HG SER A 99 -2.477 21.906 5.016 1.00 0.00 H new