USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -0.0451 (180deg=-0.725) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -0.292 (180deg=-1.23) USER MOD Single : A 48 MET CE :methyl -138:sc= -4.82! (180deg=-7.55!) USER MOD Single : A 52 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.017) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -138:sc= -1.48 (180deg=-3.83!) USER MOD Single : A 62 MET CE :methyl -160:sc= -0.28 (180deg=-0.366) USER MOD Single : A 66 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 69 SER OG : rot -48:sc= 0.407 USER MOD Single : A 70 MET CE :methyl -167:sc= -0.479 (180deg=-0.852) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.586 7.133 -1.318 1.00 0.00 N ATOM 124 CA PRO A 8 -8.908 5.940 -0.518 1.00 0.00 C ATOM 125 C PRO A 8 -7.752 5.615 0.436 1.00 0.00 C ATOM 126 O PRO A 8 -6.719 6.252 0.391 1.00 0.00 O ATOM 127 CB PRO A 8 -9.082 4.839 -1.569 1.00 0.00 C ATOM 128 CG PRO A 8 -8.314 5.310 -2.826 1.00 0.00 C ATOM 129 CD PRO A 8 -8.163 6.837 -2.704 1.00 0.00 C ATOM 0 HA PRO A 8 -9.792 6.064 0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.688 3.890 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.137 4.681 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.338 4.828 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.857 5.046 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.135 7.151 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.786 7.358 -3.431 1.00 0.00 H new ATOM 137 N PRO A 9 -7.966 4.635 1.276 1.00 0.00 N ATOM 138 CA PRO A 9 -6.961 4.201 2.261 1.00 0.00 C ATOM 139 C PRO A 9 -5.900 3.321 1.593 1.00 0.00 C ATOM 140 O PRO A 9 -6.158 2.661 0.607 1.00 0.00 O ATOM 141 CB PRO A 9 -7.779 3.397 3.275 1.00 0.00 C ATOM 142 CG PRO A 9 -9.061 2.938 2.538 1.00 0.00 C ATOM 143 CD PRO A 9 -9.229 3.869 1.322 1.00 0.00 C ATOM 0 HA PRO A 9 -6.421 5.031 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.212 2.540 3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.028 4.006 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.974 1.899 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.928 2.999 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.385 3.302 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.090 4.527 1.440 1.00 0.00 H new ATOM 151 N ALA A 10 -4.706 3.306 2.123 1.00 0.00 N ATOM 152 CA ALA A 10 -3.634 2.466 1.518 1.00 0.00 C ATOM 153 C ALA A 10 -3.922 0.991 1.806 1.00 0.00 C ATOM 154 O ALA A 10 -3.251 0.109 1.307 1.00 0.00 O ATOM 155 CB ALA A 10 -2.279 2.848 2.120 1.00 0.00 C ATOM 0 H ALA A 10 -4.428 3.838 2.947 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.609 2.630 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.497 2.232 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.073 3.899 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.301 2.685 3.198 1.00 0.00 H new ATOM 161 N ALA A 11 -4.916 0.715 2.606 1.00 0.00 N ATOM 162 CA ALA A 11 -5.243 -0.703 2.923 1.00 0.00 C ATOM 163 C ALA A 11 -6.148 -1.273 1.829 1.00 0.00 C ATOM 164 O ALA A 11 -6.387 -2.463 1.764 1.00 0.00 O ATOM 165 CB ALA A 11 -5.967 -0.773 4.270 1.00 0.00 C ATOM 0 H ALA A 11 -5.515 1.410 3.053 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.323 -1.285 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.206 -1.811 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.324 -0.366 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.888 -0.192 4.219 1.00 0.00 H new ATOM 171 N VAL A 12 -6.655 -0.434 0.966 1.00 0.00 N ATOM 172 CA VAL A 12 -7.544 -0.930 -0.120 1.00 0.00 C ATOM 173 C VAL A 12 -6.794 -0.886 -1.455 1.00 0.00 C ATOM 174 O VAL A 12 -6.915 -1.771 -2.277 1.00 0.00 O ATOM 175 CB VAL A 12 -8.798 -0.048 -0.189 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.502 1.237 -0.969 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.920 -0.818 -0.887 1.00 0.00 C ATOM 0 H VAL A 12 -6.491 0.573 0.967 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.840 -1.959 0.085 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.102 0.215 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.400 1.853 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.705 1.790 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.189 0.984 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.812 -0.194 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.605 -1.084 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.143 -1.725 -0.325 1.00 0.00 H new ATOM 187 N LEU A 13 -6.018 0.142 -1.674 1.00 0.00 N ATOM 188 CA LEU A 13 -5.261 0.246 -2.955 1.00 0.00 C ATOM 189 C LEU A 13 -4.074 -0.719 -2.930 1.00 0.00 C ATOM 190 O LEU A 13 -3.880 -1.502 -3.838 1.00 0.00 O ATOM 191 CB LEU A 13 -4.747 1.676 -3.130 1.00 0.00 C ATOM 192 CG LEU A 13 -5.917 2.611 -3.434 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.380 3.995 -3.802 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.728 2.051 -4.606 1.00 0.00 C ATOM 0 H LEU A 13 -5.876 0.913 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.920 -0.010 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.235 2.002 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.019 1.714 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.557 2.690 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.214 4.663 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.802 4.395 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.741 3.915 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.562 2.718 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.089 1.972 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.111 1.064 -4.345 1.00 0.00 H new ATOM 206 N LEU A 14 -3.275 -0.666 -1.898 1.00 0.00 N ATOM 207 CA LEU A 14 -2.100 -1.580 -1.819 1.00 0.00 C ATOM 208 C LEU A 14 -2.550 -3.005 -2.134 1.00 0.00 C ATOM 209 O LEU A 14 -2.106 -3.609 -3.091 1.00 0.00 O ATOM 210 CB LEU A 14 -1.504 -1.529 -0.411 1.00 0.00 C ATOM 211 CG LEU A 14 -0.830 -0.173 -0.194 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.099 -0.170 1.150 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.175 0.076 -1.319 1.00 0.00 C ATOM 0 H LEU A 14 -3.385 -0.030 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.344 -1.268 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.286 -1.682 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.779 -2.333 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.586 0.612 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.380 0.797 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.813 -0.351 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.658 -0.954 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.658 1.042 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.929 -0.711 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.344 0.076 -2.277 1.00 0.00 H new ATOM 225 N LYS A 15 -3.431 -3.548 -1.341 1.00 0.00 N ATOM 226 CA LYS A 15 -3.911 -4.934 -1.603 1.00 0.00 C ATOM 227 C LYS A 15 -4.370 -5.039 -3.058 1.00 0.00 C ATOM 228 O LYS A 15 -4.206 -6.058 -3.700 1.00 0.00 O ATOM 229 CB LYS A 15 -5.084 -5.257 -0.674 1.00 0.00 C ATOM 230 CG LYS A 15 -4.664 -5.042 0.781 1.00 0.00 C ATOM 231 CD LYS A 15 -5.858 -5.307 1.701 1.00 0.00 C ATOM 232 CE LYS A 15 -5.798 -6.746 2.217 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.608 -6.862 3.463 1.00 0.00 N ATOM 0 H LYS A 15 -3.839 -3.093 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.102 -5.641 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.936 -4.621 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.404 -6.288 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.840 -5.709 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.303 -4.023 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.847 -4.609 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.790 -5.142 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.177 -7.431 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.764 -7.030 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.567 -7.840 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.227 -6.219 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.596 -6.608 3.260 1.00 0.00 H new ATOM 247 N LYS A 16 -4.948 -3.993 -3.585 1.00 0.00 N ATOM 248 CA LYS A 16 -5.421 -4.031 -4.999 1.00 0.00 C ATOM 249 C LYS A 16 -4.253 -4.387 -5.923 1.00 0.00 C ATOM 250 O LYS A 16 -4.395 -5.167 -6.844 1.00 0.00 O ATOM 251 CB LYS A 16 -5.976 -2.658 -5.386 1.00 0.00 C ATOM 252 CG LYS A 16 -7.297 -2.832 -6.139 1.00 0.00 C ATOM 253 CD LYS A 16 -7.602 -1.562 -6.935 1.00 0.00 C ATOM 254 CE LYS A 16 -8.123 -1.941 -8.323 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.231 -2.930 -8.185 1.00 0.00 N ATOM 0 H LYS A 16 -5.113 -3.113 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.203 -4.783 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.132 -2.053 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.257 -2.127 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.235 -3.689 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.105 -3.036 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.343 -0.960 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.703 -0.953 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.477 -1.052 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.317 -2.363 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.915 -2.795 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.843 -3.894 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.708 -2.791 -7.271 1.00 0.00 H new ATOM 269 N ALA A 17 -3.102 -3.819 -5.687 1.00 0.00 N ATOM 270 CA ALA A 17 -1.928 -4.123 -6.553 1.00 0.00 C ATOM 271 C ALA A 17 -1.774 -5.638 -6.700 1.00 0.00 C ATOM 272 O ALA A 17 -1.700 -6.161 -7.795 1.00 0.00 O ATOM 273 CB ALA A 17 -0.664 -3.540 -5.918 1.00 0.00 C ATOM 0 H ALA A 17 -2.924 -3.157 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.080 -3.680 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.196 -3.761 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.772 -2.460 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.514 -3.983 -4.933 1.00 0.00 H new ATOM 279 N ALA A 18 -1.723 -6.348 -5.607 1.00 0.00 N ATOM 280 CA ALA A 18 -1.571 -7.828 -5.688 1.00 0.00 C ATOM 281 C ALA A 18 -2.855 -8.445 -6.249 1.00 0.00 C ATOM 282 O ALA A 18 -2.838 -9.508 -6.838 1.00 0.00 O ATOM 283 CB ALA A 18 -1.304 -8.392 -4.292 1.00 0.00 C ATOM 0 H ALA A 18 -1.780 -5.968 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.735 -8.070 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.193 -9.475 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.389 -7.955 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.139 -8.149 -3.635 1.00 0.00 H new ATOM 289 N GLY A 19 -3.967 -7.787 -6.070 1.00 0.00 N ATOM 290 CA GLY A 19 -5.249 -8.336 -6.595 1.00 0.00 C ATOM 291 C GLY A 19 -5.848 -9.309 -5.576 1.00 0.00 C ATOM 292 O GLY A 19 -6.199 -10.425 -5.904 1.00 0.00 O ATOM 0 H GLY A 19 -4.044 -6.894 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.949 -7.525 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.076 -8.847 -7.542 1.00 0.00 H new ATOM 485 N ALA A 33 0.440 -13.030 -0.831 1.00 0.00 N ATOM 486 CA ALA A 33 0.461 -11.896 -1.797 1.00 0.00 C ATOM 487 C ALA A 33 1.855 -11.264 -1.816 1.00 0.00 C ATOM 488 O ALA A 33 2.498 -11.126 -0.795 1.00 0.00 O ATOM 489 CB ALA A 33 -0.567 -10.846 -1.371 1.00 0.00 C ATOM 0 HA ALA A 33 0.216 -12.264 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.553 -10.016 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.561 -11.294 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.321 -10.479 -0.374 1.00 0.00 H new ATOM 495 N THR A 34 2.323 -10.876 -2.971 1.00 0.00 N ATOM 496 CA THR A 34 3.672 -10.249 -3.056 1.00 0.00 C ATOM 497 C THR A 34 3.565 -8.919 -3.806 1.00 0.00 C ATOM 498 O THR A 34 2.836 -8.799 -4.770 1.00 0.00 O ATOM 499 CB THR A 34 4.625 -11.184 -3.805 1.00 0.00 C ATOM 500 OG1 THR A 34 3.869 -12.124 -4.556 1.00 0.00 O ATOM 501 CG2 THR A 34 5.511 -11.924 -2.804 1.00 0.00 C ATOM 0 H THR A 34 1.829 -10.966 -3.859 1.00 0.00 H new ATOM 0 HA THR A 34 4.056 -10.072 -2.051 1.00 0.00 H new ATOM 0 HB THR A 34 5.253 -10.600 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.477 -12.723 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.188 -12.589 -3.340 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.091 -11.202 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.887 -12.509 -2.129 1.00 0.00 H new ATOM 509 N ILE A 35 4.282 -7.920 -3.371 1.00 0.00 N ATOM 510 CA ILE A 35 4.211 -6.602 -4.066 1.00 0.00 C ATOM 511 C ILE A 35 5.618 -6.078 -4.335 1.00 0.00 C ATOM 512 O ILE A 35 6.313 -5.660 -3.430 1.00 0.00 O ATOM 513 CB ILE A 35 3.477 -5.589 -3.187 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.235 -6.242 -2.580 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.056 -4.390 -4.037 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.229 -6.551 -3.689 1.00 0.00 C ATOM 0 H ILE A 35 4.911 -7.957 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 35 3.678 -6.735 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 35 4.139 -5.256 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.511 -7.159 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.786 -5.578 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.532 -3.667 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.940 -3.923 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.395 -4.725 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.343 -7.017 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.945 -5.626 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.681 -7.231 -4.411 1.00 0.00 H new ATOM 528 N LYS A 36 6.039 -6.067 -5.569 1.00 0.00 N ATOM 529 CA LYS A 36 7.393 -5.532 -5.869 1.00 0.00 C ATOM 530 C LYS A 36 7.536 -4.197 -5.143 1.00 0.00 C ATOM 531 O LYS A 36 6.555 -3.583 -4.773 1.00 0.00 O ATOM 532 CB LYS A 36 7.542 -5.318 -7.378 1.00 0.00 C ATOM 533 CG LYS A 36 8.291 -6.503 -7.992 1.00 0.00 C ATOM 534 CD LYS A 36 7.654 -6.870 -9.334 1.00 0.00 C ATOM 535 CE LYS A 36 8.100 -5.869 -10.401 1.00 0.00 C ATOM 536 NZ LYS A 36 8.293 -6.577 -11.697 1.00 0.00 N ATOM 0 H LYS A 36 5.510 -6.402 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 36 8.162 -6.231 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.560 -5.216 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.083 -4.392 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.341 -6.249 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.258 -7.357 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.946 -7.880 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.568 -6.865 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.353 -5.083 -10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.029 -5.386 -10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.596 -5.896 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.020 -7.312 -11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.397 -7.018 -11.989 1.00 0.00 H new ATOM 550 N ARG A 37 8.730 -3.733 -4.925 1.00 0.00 N ATOM 551 CA ARG A 37 8.877 -2.438 -4.214 1.00 0.00 C ATOM 552 C ARG A 37 8.573 -1.318 -5.205 1.00 0.00 C ATOM 553 O ARG A 37 8.082 -0.266 -4.848 1.00 0.00 O ATOM 554 CB ARG A 37 10.311 -2.292 -3.687 1.00 0.00 C ATOM 555 CG ARG A 37 10.333 -1.707 -2.257 1.00 0.00 C ATOM 556 CD ARG A 37 9.059 -0.903 -1.957 1.00 0.00 C ATOM 557 NE ARG A 37 9.376 0.195 -1.001 1.00 0.00 N ATOM 558 CZ ARG A 37 9.936 -0.078 0.145 1.00 0.00 C ATOM 559 NH1 ARG A 37 9.513 -1.089 0.852 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.917 0.661 0.584 1.00 0.00 N ATOM 0 H ARG A 37 9.600 -4.187 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 37 8.191 -2.391 -3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.802 -3.265 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.881 -1.645 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.432 -2.516 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.206 -1.065 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.652 -0.490 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.295 -1.556 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 37 9.155 1.161 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.745 -1.666 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.950 -1.303 1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.246 1.452 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.355 0.448 1.480 1.00 0.00 H new ATOM 574 N ASP A 38 8.855 -1.547 -6.457 1.00 0.00 N ATOM 575 CA ASP A 38 8.578 -0.507 -7.483 1.00 0.00 C ATOM 576 C ASP A 38 7.064 -0.326 -7.617 1.00 0.00 C ATOM 577 O ASP A 38 6.586 0.725 -7.995 1.00 0.00 O ATOM 578 CB ASP A 38 9.164 -0.947 -8.827 1.00 0.00 C ATOM 579 CG ASP A 38 8.476 -2.233 -9.288 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.337 -2.149 -9.720 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.097 -3.279 -9.201 1.00 0.00 O ATOM 0 H ASP A 38 9.265 -2.410 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 38 9.034 0.437 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.026 -0.162 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.237 -1.111 -8.732 1.00 0.00 H new ATOM 586 N LYS A 39 6.308 -1.346 -7.308 1.00 0.00 N ATOM 587 CA LYS A 39 4.826 -1.237 -7.415 1.00 0.00 C ATOM 588 C LYS A 39 4.263 -0.661 -6.113 1.00 0.00 C ATOM 589 O LYS A 39 3.672 0.400 -6.097 1.00 0.00 O ATOM 590 CB LYS A 39 4.227 -2.624 -7.664 1.00 0.00 C ATOM 591 CG LYS A 39 2.771 -2.482 -8.112 1.00 0.00 C ATOM 592 CD LYS A 39 2.627 -2.978 -9.552 1.00 0.00 C ATOM 593 CE LYS A 39 1.434 -3.932 -9.652 1.00 0.00 C ATOM 594 NZ LYS A 39 1.680 -4.920 -10.740 1.00 0.00 N ATOM 0 H LYS A 39 6.654 -2.250 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 39 4.568 -0.579 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.803 -3.148 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.282 -3.223 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.119 -3.055 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.458 -1.440 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.487 -2.133 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.539 -3.487 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.287 -4.448 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.522 -3.371 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.870 -5.569 -10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.800 -4.419 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.541 -5.463 -10.528 1.00 0.00 H new ATOM 608 N VAL A 40 4.440 -1.352 -5.017 1.00 0.00 N ATOM 609 CA VAL A 40 3.911 -0.832 -3.725 1.00 0.00 C ATOM 610 C VAL A 40 4.272 0.651 -3.597 1.00 0.00 C ATOM 611 O VAL A 40 3.431 1.487 -3.332 1.00 0.00 O ATOM 612 CB VAL A 40 4.505 -1.648 -2.556 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.730 -0.945 -1.947 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.436 -1.821 -1.477 1.00 0.00 C ATOM 0 H VAL A 40 4.925 -2.248 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 40 2.826 -0.933 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 40 4.824 -2.617 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.124 -1.546 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.498 -0.826 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.437 0.035 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.846 -2.396 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.119 -0.842 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.579 -2.349 -1.895 1.00 0.00 H new ATOM 624 N ARG A 41 5.519 0.980 -3.789 1.00 0.00 N ATOM 625 CA ARG A 41 5.942 2.403 -3.683 1.00 0.00 C ATOM 626 C ARG A 41 5.177 3.233 -4.714 1.00 0.00 C ATOM 627 O ARG A 41 4.626 4.268 -4.405 1.00 0.00 O ATOM 628 CB ARG A 41 7.444 2.505 -3.954 1.00 0.00 C ATOM 629 CG ARG A 41 7.891 3.963 -3.824 1.00 0.00 C ATOM 630 CD ARG A 41 9.209 4.158 -4.576 1.00 0.00 C ATOM 631 NE ARG A 41 9.110 5.360 -5.450 1.00 0.00 N ATOM 632 CZ ARG A 41 10.196 5.942 -5.882 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.108 6.332 -5.033 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.368 6.134 -7.161 1.00 0.00 N ATOM 0 H ARG A 41 6.265 0.322 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 41 5.728 2.779 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.994 1.881 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.670 2.133 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.127 4.627 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.017 4.224 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.029 4.277 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.431 3.276 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 41 8.195 5.728 -5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.972 6.182 -4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.957 6.787 -5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.654 5.829 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.216 6.589 -7.499 1.00 0.00 H new ATOM 648 N GLU A 42 5.139 2.785 -5.939 1.00 0.00 N ATOM 649 CA GLU A 42 4.409 3.548 -6.990 1.00 0.00 C ATOM 650 C GLU A 42 3.065 4.027 -6.436 1.00 0.00 C ATOM 651 O GLU A 42 2.754 5.201 -6.461 1.00 0.00 O ATOM 652 CB GLU A 42 4.166 2.640 -8.197 1.00 0.00 C ATOM 653 CG GLU A 42 3.572 3.462 -9.342 1.00 0.00 C ATOM 654 CD GLU A 42 2.291 2.793 -9.840 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.371 1.659 -10.284 1.00 0.00 O ATOM 656 OE2 GLU A 42 1.250 3.425 -9.770 1.00 0.00 O ATOM 0 H GLU A 42 5.582 1.923 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 42 5.004 4.410 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.102 2.179 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.488 1.831 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.357 4.475 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.292 3.544 -10.156 1.00 0.00 H new ATOM 663 N ILE A 43 2.264 3.125 -5.936 1.00 0.00 N ATOM 664 CA ILE A 43 0.941 3.526 -5.383 1.00 0.00 C ATOM 665 C ILE A 43 1.136 4.600 -4.309 1.00 0.00 C ATOM 666 O ILE A 43 0.394 5.559 -4.237 1.00 0.00 O ATOM 667 CB ILE A 43 0.258 2.305 -4.764 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.012 1.266 -5.855 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.065 2.729 -4.124 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.536 -0.022 -5.215 1.00 0.00 C ATOM 0 H ILE A 43 2.470 2.127 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 43 0.320 3.925 -6.185 1.00 0.00 H new ATOM 0 HB ILE A 43 0.907 1.873 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.740 1.653 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.902 1.062 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.551 1.859 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.873 3.469 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.715 3.161 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.728 -0.762 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.207 -0.411 -4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.461 0.189 -4.678 1.00 0.00 H new ATOM 682 N ALA A 44 2.126 4.445 -3.474 1.00 0.00 N ATOM 683 CA ALA A 44 2.365 5.457 -2.405 1.00 0.00 C ATOM 684 C ALA A 44 2.565 6.837 -3.038 1.00 0.00 C ATOM 685 O ALA A 44 1.784 7.744 -2.828 1.00 0.00 O ATOM 686 CB ALA A 44 3.615 5.069 -1.612 1.00 0.00 C ATOM 0 H ALA A 44 2.780 3.662 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 44 1.505 5.491 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.793 5.807 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.469 4.088 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.475 5.036 -2.281 1.00 0.00 H new ATOM 692 N GLU A 45 3.605 7.001 -3.812 1.00 0.00 N ATOM 693 CA GLU A 45 3.855 8.321 -4.458 1.00 0.00 C ATOM 694 C GLU A 45 2.539 8.875 -5.005 1.00 0.00 C ATOM 695 O GLU A 45 2.268 10.056 -4.918 1.00 0.00 O ATOM 696 CB GLU A 45 4.849 8.145 -5.609 1.00 0.00 C ATOM 697 CG GLU A 45 5.184 9.511 -6.209 1.00 0.00 C ATOM 698 CD GLU A 45 5.870 9.321 -7.563 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.725 8.457 -7.656 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.527 10.043 -8.485 1.00 0.00 O ATOM 0 H GLU A 45 4.292 6.277 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 45 4.267 9.014 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.757 7.662 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.424 7.495 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.275 10.100 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.836 10.066 -5.534 1.00 0.00 H new ATOM 707 N LEU A 46 1.718 8.030 -5.564 1.00 0.00 N ATOM 708 CA LEU A 46 0.418 8.506 -6.113 1.00 0.00 C ATOM 709 C LEU A 46 -0.359 9.233 -5.015 1.00 0.00 C ATOM 710 O LEU A 46 -0.731 10.380 -5.160 1.00 0.00 O ATOM 711 CB LEU A 46 -0.394 7.308 -6.609 1.00 0.00 C ATOM 712 CG LEU A 46 -0.362 7.267 -8.138 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.177 6.070 -8.633 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.965 8.558 -8.694 1.00 0.00 C ATOM 0 H LEU A 46 1.891 7.030 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 46 0.599 9.189 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.016 6.384 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.423 7.383 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 46 0.669 7.170 -8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.155 6.040 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.749 5.149 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.208 6.167 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.943 8.530 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.996 8.654 -8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.386 9.411 -8.341 1.00 0.00 H new ATOM 726 N LYS A 47 -0.605 8.576 -3.915 1.00 0.00 N ATOM 727 CA LYS A 47 -1.356 9.231 -2.808 1.00 0.00 C ATOM 728 C LYS A 47 -0.370 9.923 -1.865 1.00 0.00 C ATOM 729 O LYS A 47 -0.605 10.036 -0.678 1.00 0.00 O ATOM 730 CB LYS A 47 -2.149 8.175 -2.034 1.00 0.00 C ATOM 731 CG LYS A 47 -2.907 7.280 -3.017 1.00 0.00 C ATOM 732 CD LYS A 47 -2.622 5.811 -2.697 1.00 0.00 C ATOM 733 CE LYS A 47 -3.290 5.438 -1.372 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.246 5.053 -0.381 1.00 0.00 N ATOM 0 H LYS A 47 -0.318 7.614 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.043 9.969 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.475 7.573 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.849 8.658 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.977 7.476 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.603 7.506 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.998 5.174 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.547 5.644 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.871 6.280 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.986 4.613 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.512 5.408 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.163 4.017 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.333 5.465 -0.661 1.00 0.00 H new ATOM 748 N MET A 48 0.735 10.385 -2.382 1.00 0.00 N ATOM 749 CA MET A 48 1.737 11.067 -1.517 1.00 0.00 C ATOM 750 C MET A 48 1.256 12.477 -1.131 1.00 0.00 C ATOM 751 O MET A 48 1.387 12.867 0.013 1.00 0.00 O ATOM 752 CB MET A 48 3.078 11.165 -2.252 1.00 0.00 C ATOM 753 CG MET A 48 4.116 11.811 -1.332 1.00 0.00 C ATOM 754 SD MET A 48 4.896 13.203 -2.186 1.00 0.00 S ATOM 755 CE MET A 48 6.140 13.574 -0.926 1.00 0.00 C ATOM 0 H MET A 48 0.987 10.319 -3.368 1.00 0.00 H new ATOM 0 HA MET A 48 1.861 10.480 -0.607 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.412 10.173 -2.555 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.965 11.755 -3.161 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.640 12.155 -0.414 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.870 11.078 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.217 14.654 -0.798 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.848 13.116 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.105 13.176 -1.239 1.00 0.00 H new ATOM 765 N PRO A 49 0.716 13.210 -2.081 1.00 0.00 N ATOM 766 CA PRO A 49 0.225 14.576 -1.826 1.00 0.00 C ATOM 767 C PRO A 49 -1.136 14.530 -1.128 1.00 0.00 C ATOM 768 O PRO A 49 -1.708 15.548 -0.791 1.00 0.00 O ATOM 769 CB PRO A 49 0.108 15.187 -3.223 1.00 0.00 C ATOM 770 CG PRO A 49 -0.014 14.002 -4.210 1.00 0.00 C ATOM 771 CD PRO A 49 0.538 12.762 -3.480 1.00 0.00 C ATOM 0 HA PRO A 49 0.880 15.153 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.763 15.839 -3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.981 15.797 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.052 13.848 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.550 14.198 -5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.154 11.922 -3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.481 12.432 -3.915 1.00 0.00 H new ATOM 779 N ASP A 50 -1.657 13.354 -0.905 1.00 0.00 N ATOM 780 CA ASP A 50 -2.977 13.238 -0.225 1.00 0.00 C ATOM 781 C ASP A 50 -2.810 12.431 1.064 1.00 0.00 C ATOM 782 O ASP A 50 -3.772 12.026 1.685 1.00 0.00 O ATOM 783 CB ASP A 50 -3.967 12.526 -1.150 1.00 0.00 C ATOM 784 CG ASP A 50 -3.658 12.886 -2.604 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.283 14.021 -2.846 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.801 12.019 -3.451 1.00 0.00 O ATOM 0 H ASP A 50 -1.224 12.468 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.356 14.232 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.901 11.447 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.987 12.818 -0.901 1.00 0.00 H new ATOM 791 N LEU A 51 -1.591 12.197 1.470 1.00 0.00 N ATOM 792 CA LEU A 51 -1.353 11.419 2.718 1.00 0.00 C ATOM 793 C LEU A 51 -0.714 12.329 3.770 1.00 0.00 C ATOM 794 O LEU A 51 -0.352 11.890 4.844 1.00 0.00 O ATOM 795 CB LEU A 51 -0.407 10.253 2.416 1.00 0.00 C ATOM 796 CG LEU A 51 -1.191 8.940 2.406 1.00 0.00 C ATOM 797 CD1 LEU A 51 -2.001 8.838 1.112 1.00 0.00 C ATOM 798 CD2 LEU A 51 -0.213 7.765 2.488 1.00 0.00 C ATOM 0 H LEU A 51 -0.748 12.512 0.989 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.301 11.034 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.077 10.406 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.383 10.210 3.166 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.867 8.913 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.560 7.902 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.696 9.676 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.325 8.864 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.769 6.828 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.462 7.793 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.366 7.837 3.409 1.00 0.00 H new ATOM 810 N ASN A 52 -0.569 13.591 3.470 1.00 0.00 N ATOM 811 CA ASN A 52 0.053 14.522 4.453 1.00 0.00 C ATOM 812 C ASN A 52 1.494 14.085 4.721 1.00 0.00 C ATOM 813 O ASN A 52 2.086 14.446 5.719 1.00 0.00 O ATOM 814 CB ASN A 52 -0.743 14.492 5.760 1.00 0.00 C ATOM 815 CG ASN A 52 -0.520 15.797 6.523 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.014 15.791 7.627 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.878 16.928 5.977 1.00 0.00 N ATOM 0 H ASN A 52 -0.854 14.017 2.588 1.00 0.00 H new ATOM 0 HA ASN A 52 0.048 15.535 4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.804 14.359 5.549 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.430 13.644 6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.732 17.805 6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.303 16.935 5.050 1.00 0.00 H new ATOM 824 N ALA A 53 2.062 13.310 3.837 1.00 0.00 N ATOM 825 CA ALA A 53 3.465 12.850 4.041 1.00 0.00 C ATOM 826 C ALA A 53 4.430 13.963 3.632 1.00 0.00 C ATOM 827 O ALA A 53 4.325 14.528 2.562 1.00 0.00 O ATOM 828 CB ALA A 53 3.725 11.610 3.183 1.00 0.00 C ATOM 0 H ALA A 53 1.615 12.976 2.983 1.00 0.00 H new ATOM 0 HA ALA A 53 3.618 12.604 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.751 11.273 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.037 10.816 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.573 11.856 2.132 1.00 0.00 H new ATOM 834 N ALA A 54 5.372 14.284 4.476 1.00 0.00 N ATOM 835 CA ALA A 54 6.343 15.361 4.137 1.00 0.00 C ATOM 836 C ALA A 54 7.142 14.958 2.896 1.00 0.00 C ATOM 837 O ALA A 54 7.613 15.795 2.151 1.00 0.00 O ATOM 838 CB ALA A 54 7.300 15.573 5.312 1.00 0.00 C ATOM 0 H ALA A 54 5.511 13.846 5.387 1.00 0.00 H new ATOM 0 HA ALA A 54 5.802 16.286 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.011 16.361 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.732 15.861 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.840 14.648 5.513 1.00 0.00 H new ATOM 844 N SER A 55 7.299 13.683 2.666 1.00 0.00 N ATOM 845 CA SER A 55 8.069 13.232 1.472 1.00 0.00 C ATOM 846 C SER A 55 7.678 11.795 1.120 1.00 0.00 C ATOM 847 O SER A 55 6.889 11.169 1.800 1.00 0.00 O ATOM 848 CB SER A 55 9.566 13.289 1.780 1.00 0.00 C ATOM 849 OG SER A 55 9.798 12.760 3.078 1.00 0.00 O ATOM 0 H SER A 55 6.928 12.935 3.252 1.00 0.00 H new ATOM 0 HA SER A 55 7.843 13.886 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.124 12.719 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.922 14.318 1.725 1.00 0.00 H new ATOM 0 HG SER A 55 10.757 12.793 3.278 1.00 0.00 H new ATOM 855 N ILE A 56 8.229 11.267 0.061 1.00 0.00 N ATOM 856 CA ILE A 56 7.893 9.870 -0.335 1.00 0.00 C ATOM 857 C ILE A 56 8.333 8.916 0.775 1.00 0.00 C ATOM 858 O ILE A 56 7.626 7.998 1.136 1.00 0.00 O ATOM 859 CB ILE A 56 8.628 9.510 -1.625 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.368 10.583 -2.686 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.128 8.158 -2.136 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.893 10.559 -3.088 1.00 0.00 C ATOM 0 H ILE A 56 8.897 11.742 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 56 6.818 9.786 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 56 9.698 9.453 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.633 11.566 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.996 10.406 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.652 7.901 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.318 7.392 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.057 8.217 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.709 11.323 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.643 9.579 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.274 10.757 -2.213 1.00 0.00 H new ATOM 874 N GLU A 57 9.500 9.128 1.321 1.00 0.00 N ATOM 875 CA GLU A 57 9.979 8.237 2.412 1.00 0.00 C ATOM 876 C GLU A 57 8.894 8.142 3.481 1.00 0.00 C ATOM 877 O GLU A 57 8.824 7.189 4.231 1.00 0.00 O ATOM 878 CB GLU A 57 11.254 8.818 3.024 1.00 0.00 C ATOM 879 CG GLU A 57 12.461 8.413 2.173 1.00 0.00 C ATOM 880 CD GLU A 57 13.680 9.236 2.591 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.997 9.233 3.769 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.278 9.855 1.725 1.00 0.00 O ATOM 0 H GLU A 57 10.140 9.878 1.058 1.00 0.00 H new ATOM 0 HA GLU A 57 10.194 7.245 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.182 9.904 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.378 8.456 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.667 7.350 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.245 8.574 1.117 1.00 0.00 H new ATOM 889 N ALA A 58 8.041 9.127 3.551 1.00 0.00 N ATOM 890 CA ALA A 58 6.952 9.102 4.564 1.00 0.00 C ATOM 891 C ALA A 58 5.753 8.343 3.992 1.00 0.00 C ATOM 892 O ALA A 58 5.044 7.657 4.703 1.00 0.00 O ATOM 893 CB ALA A 58 6.534 10.534 4.903 1.00 0.00 C ATOM 0 H ALA A 58 8.053 9.950 2.948 1.00 0.00 H new ATOM 0 HA ALA A 58 7.305 8.606 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.736 10.514 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.389 11.077 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.178 11.032 4.001 1.00 0.00 H new ATOM 899 N ALA A 59 5.522 8.455 2.711 1.00 0.00 N ATOM 900 CA ALA A 59 4.369 7.734 2.101 1.00 0.00 C ATOM 901 C ALA A 59 4.684 6.237 2.042 1.00 0.00 C ATOM 902 O ALA A 59 4.067 5.434 2.716 1.00 0.00 O ATOM 903 CB ALA A 59 4.124 8.262 0.685 1.00 0.00 C ATOM 0 H ALA A 59 6.080 9.012 2.064 1.00 0.00 H new ATOM 0 HA ALA A 59 3.476 7.897 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.281 7.734 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.902 9.328 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.014 8.100 0.077 1.00 0.00 H new ATOM 909 N MET A 60 5.641 5.853 1.243 1.00 0.00 N ATOM 910 CA MET A 60 5.990 4.409 1.151 1.00 0.00 C ATOM 911 C MET A 60 6.100 3.828 2.564 1.00 0.00 C ATOM 912 O MET A 60 5.838 2.663 2.789 1.00 0.00 O ATOM 913 CB MET A 60 7.328 4.251 0.417 1.00 0.00 C ATOM 914 CG MET A 60 8.481 4.625 1.353 1.00 0.00 C ATOM 915 SD MET A 60 9.906 5.161 0.372 1.00 0.00 S ATOM 916 CE MET A 60 10.058 3.667 -0.639 1.00 0.00 C ATOM 0 H MET A 60 6.194 6.474 0.652 1.00 0.00 H new ATOM 0 HA MET A 60 5.216 3.876 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.445 3.223 0.073 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.345 4.887 -0.468 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.171 5.422 2.029 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.753 3.770 1.972 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.110 3.400 -0.738 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.520 2.848 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.636 3.852 -1.627 1.00 0.00 H new ATOM 926 N ARG A 61 6.481 4.635 3.516 1.00 0.00 N ATOM 927 CA ARG A 61 6.604 4.135 4.915 1.00 0.00 C ATOM 928 C ARG A 61 5.318 3.413 5.310 1.00 0.00 C ATOM 929 O ARG A 61 5.338 2.288 5.768 1.00 0.00 O ATOM 930 CB ARG A 61 6.840 5.316 5.861 1.00 0.00 C ATOM 931 CG ARG A 61 8.129 5.086 6.654 1.00 0.00 C ATOM 932 CD ARG A 61 7.796 4.929 8.139 1.00 0.00 C ATOM 933 NE ARG A 61 8.197 3.570 8.597 1.00 0.00 N ATOM 934 CZ ARG A 61 9.411 3.357 9.027 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.988 4.229 9.809 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.048 2.273 8.675 1.00 0.00 N ATOM 0 H ARG A 61 6.713 5.620 3.386 1.00 0.00 H new ATOM 0 HA ARG A 61 7.444 3.444 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.911 6.243 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.996 5.424 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.639 4.194 6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.811 5.924 6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.317 5.689 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.729 5.079 8.301 1.00 0.00 H new ATOM 0 HE ARG A 61 7.523 2.805 8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.490 5.076 10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.937 4.063 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.597 1.592 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.997 2.107 9.011 1.00 0.00 H new ATOM 950 N MET A 62 4.197 4.053 5.131 1.00 0.00 N ATOM 951 CA MET A 62 2.903 3.406 5.489 1.00 0.00 C ATOM 952 C MET A 62 2.622 2.267 4.510 1.00 0.00 C ATOM 953 O MET A 62 1.949 1.310 4.832 1.00 0.00 O ATOM 954 CB MET A 62 1.776 4.438 5.407 1.00 0.00 C ATOM 955 CG MET A 62 2.163 5.683 6.206 1.00 0.00 C ATOM 956 SD MET A 62 0.901 6.961 5.983 1.00 0.00 S ATOM 957 CE MET A 62 2.024 8.323 5.584 1.00 0.00 C ATOM 0 H MET A 62 4.120 4.997 4.752 1.00 0.00 H new ATOM 0 HA MET A 62 2.960 3.012 6.504 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.588 4.705 4.367 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.852 4.014 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.261 5.434 7.263 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.133 6.053 5.875 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.517 9.273 5.752 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.907 8.265 6.220 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.325 8.252 4.539 1.00 0.00 H new ATOM 967 N ILE A 63 3.132 2.364 3.314 1.00 0.00 N ATOM 968 CA ILE A 63 2.894 1.287 2.311 1.00 0.00 C ATOM 969 C ILE A 63 3.605 0.006 2.750 1.00 0.00 C ATOM 970 O ILE A 63 3.231 -1.083 2.366 1.00 0.00 O ATOM 971 CB ILE A 63 3.436 1.737 0.952 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.650 2.960 0.458 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.302 0.598 -0.058 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.157 2.795 0.767 1.00 0.00 C ATOM 0 H ILE A 63 3.704 3.143 2.987 1.00 0.00 H new ATOM 0 HA ILE A 63 1.825 1.092 2.232 1.00 0.00 H new ATOM 0 HB ILE A 63 4.487 2.005 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.030 3.862 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.794 3.084 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.689 0.921 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.870 -0.265 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.252 0.324 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.613 3.670 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.778 1.904 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.017 2.694 1.843 1.00 0.00 H new ATOM 986 N GLU A 64 4.625 0.126 3.553 1.00 0.00 N ATOM 987 CA GLU A 64 5.352 -1.089 4.015 1.00 0.00 C ATOM 988 C GLU A 64 4.601 -1.721 5.191 1.00 0.00 C ATOM 989 O GLU A 64 4.020 -2.781 5.072 1.00 0.00 O ATOM 990 CB GLU A 64 6.762 -0.701 4.462 1.00 0.00 C ATOM 991 CG GLU A 64 7.699 -0.686 3.251 1.00 0.00 C ATOM 992 CD GLU A 64 7.871 0.752 2.755 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.614 1.489 3.383 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.256 1.091 1.758 1.00 0.00 O ATOM 0 H GLU A 64 4.986 1.011 3.909 1.00 0.00 H new ATOM 0 HA GLU A 64 5.414 -1.806 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.747 0.281 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.126 -1.408 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.667 -1.107 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.292 -1.310 2.455 1.00 0.00 H new ATOM 1001 N GLY A 65 4.609 -1.078 6.327 1.00 0.00 N ATOM 1002 CA GLY A 65 3.897 -1.642 7.510 1.00 0.00 C ATOM 1003 C GLY A 65 2.466 -2.013 7.118 1.00 0.00 C ATOM 1004 O GLY A 65 1.915 -2.988 7.588 1.00 0.00 O ATOM 0 H GLY A 65 5.078 -0.186 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.424 -2.522 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.886 -0.914 8.321 1.00 0.00 H new ATOM 1008 N THR A 66 1.859 -1.243 6.257 1.00 0.00 N ATOM 1009 CA THR A 66 0.466 -1.553 5.833 1.00 0.00 C ATOM 1010 C THR A 66 0.487 -2.738 4.866 1.00 0.00 C ATOM 1011 O THR A 66 -0.265 -3.682 5.006 1.00 0.00 O ATOM 1012 CB THR A 66 -0.139 -0.333 5.133 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.178 0.761 6.039 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.558 -0.660 4.665 1.00 0.00 C ATOM 0 H THR A 66 2.268 -0.412 5.829 1.00 0.00 H new ATOM 0 HA THR A 66 -0.136 -1.803 6.707 1.00 0.00 H new ATOM 0 HB THR A 66 0.473 -0.070 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.650 1.280 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.986 0.210 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.527 -1.498 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.173 -0.925 5.525 1.00 0.00 H new ATOM 1022 N ALA A 67 1.346 -2.694 3.884 1.00 0.00 N ATOM 1023 CA ALA A 67 1.421 -3.815 2.907 1.00 0.00 C ATOM 1024 C ALA A 67 2.437 -4.850 3.395 1.00 0.00 C ATOM 1025 O ALA A 67 3.030 -5.567 2.613 1.00 0.00 O ATOM 1026 CB ALA A 67 1.859 -3.272 1.547 1.00 0.00 C ATOM 0 H ALA A 67 1.999 -1.929 3.717 1.00 0.00 H new ATOM 0 HA ALA A 67 0.442 -4.285 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.915 -4.090 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.136 -2.534 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.839 -2.804 1.641 1.00 0.00 H new ATOM 1032 N ARG A 68 2.648 -4.930 4.679 1.00 0.00 N ATOM 1033 CA ARG A 68 3.631 -5.916 5.212 1.00 0.00 C ATOM 1034 C ARG A 68 3.002 -6.710 6.360 1.00 0.00 C ATOM 1035 O ARG A 68 3.037 -7.925 6.379 1.00 0.00 O ATOM 1036 CB ARG A 68 4.868 -5.176 5.724 1.00 0.00 C ATOM 1037 CG ARG A 68 5.963 -6.188 6.070 1.00 0.00 C ATOM 1038 CD ARG A 68 7.250 -5.443 6.430 1.00 0.00 C ATOM 1039 NE ARG A 68 8.113 -5.327 5.220 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.443 -6.396 4.548 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.668 -6.834 3.594 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.548 -7.029 4.831 1.00 0.00 N ATOM 0 H ARG A 68 2.183 -4.356 5.383 1.00 0.00 H new ATOM 0 HA ARG A 68 3.918 -6.603 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.228 -4.480 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.613 -4.585 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.646 -6.812 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.139 -6.853 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.013 -4.452 6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.782 -5.974 7.219 1.00 0.00 H new ATOM 0 HE ARG A 68 8.446 -4.412 4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.803 -6.341 3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.927 -7.670 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.154 -6.688 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.806 -7.865 4.306 1.00 0.00 H new ATOM 1056 N SER A 69 2.432 -6.035 7.320 1.00 0.00 N ATOM 1057 CA SER A 69 1.809 -6.754 8.467 1.00 0.00 C ATOM 1058 C SER A 69 0.343 -7.057 8.149 1.00 0.00 C ATOM 1059 O SER A 69 -0.474 -7.212 9.034 1.00 0.00 O ATOM 1060 CB SER A 69 1.888 -5.879 9.719 1.00 0.00 C ATOM 1061 OG SER A 69 1.550 -6.658 10.859 1.00 0.00 O ATOM 0 H SER A 69 2.371 -5.018 7.360 1.00 0.00 H new ATOM 0 HA SER A 69 2.342 -7.689 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.893 -5.471 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.208 -5.032 9.628 1.00 0.00 H new ATOM 0 HG SER A 69 0.723 -7.153 10.683 1.00 0.00 H new ATOM 1067 N MET A 70 0.003 -7.144 6.892 1.00 0.00 N ATOM 1068 CA MET A 70 -1.409 -7.437 6.523 1.00 0.00 C ATOM 1069 C MET A 70 -1.461 -8.685 5.640 1.00 0.00 C ATOM 1070 O MET A 70 -2.465 -8.980 5.023 1.00 0.00 O ATOM 1071 CB MET A 70 -1.996 -6.245 5.763 1.00 0.00 C ATOM 1072 CG MET A 70 -2.661 -5.288 6.755 1.00 0.00 C ATOM 1073 SD MET A 70 -4.221 -4.689 6.062 1.00 0.00 S ATOM 1074 CE MET A 70 -3.509 -3.699 4.725 1.00 0.00 C ATOM 0 H MET A 70 0.642 -7.025 6.106 1.00 0.00 H new ATOM 0 HA MET A 70 -1.991 -7.612 7.428 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.210 -5.728 5.213 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.725 -6.590 5.029 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.843 -5.797 7.702 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.999 -4.449 6.967 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.277 -3.051 4.303 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.695 -3.089 5.118 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.125 -4.360 3.948 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.386 -9.423 5.576 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.377 -10.652 4.734 1.00 0.00 C ATOM 1086 C GLY A 71 0.318 -10.361 3.402 1.00 0.00 C ATOM 1087 O GLY A 71 0.622 -11.257 2.642 1.00 0.00 O ATOM 0 H GLY A 71 0.485 -9.228 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.139 -11.458 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.398 -10.990 4.556 1.00 0.00 H new ATOM 1091 N ILE A 72 0.572 -9.113 3.112 1.00 0.00 N ATOM 1092 CA ILE A 72 1.246 -8.771 1.830 1.00 0.00 C ATOM 1093 C ILE A 72 2.738 -8.552 2.085 1.00 0.00 C ATOM 1094 O ILE A 72 3.127 -7.984 3.085 1.00 0.00 O ATOM 1095 CB ILE A 72 0.628 -7.491 1.263 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.812 -7.772 0.826 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.442 -7.016 0.058 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.720 -6.633 1.295 1.00 0.00 C ATOM 0 H ILE A 72 0.342 -8.318 3.708 1.00 0.00 H new ATOM 0 HA ILE A 72 1.117 -9.585 1.116 1.00 0.00 H new ATOM 0 HB ILE A 72 0.633 -6.717 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.862 -7.868 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.152 -8.719 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.999 -6.104 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.468 -6.815 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.440 -7.789 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.745 -6.833 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.679 -6.559 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.384 -5.695 0.854 1.00 0.00 H new ATOM 1110 N VAL A 73 3.577 -8.995 1.190 1.00 0.00 N ATOM 1111 CA VAL A 73 5.041 -8.803 1.387 1.00 0.00 C ATOM 1112 C VAL A 73 5.555 -7.786 0.364 1.00 0.00 C ATOM 1113 O VAL A 73 4.859 -7.424 -0.563 1.00 0.00 O ATOM 1114 CB VAL A 73 5.762 -10.154 1.223 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.213 -10.359 -0.229 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.987 -10.187 2.140 1.00 0.00 C ATOM 0 H VAL A 73 3.313 -9.481 0.333 1.00 0.00 H new ATOM 0 HA VAL A 73 5.239 -8.425 2.390 1.00 0.00 H new ATOM 0 HB VAL A 73 5.069 -10.953 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.720 -11.320 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.343 -10.344 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.897 -9.560 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.500 -11.142 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.665 -9.377 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.670 -10.066 3.176 1.00 0.00 H new ATOM 1126 N VAL A 74 6.763 -7.323 0.520 1.00 0.00 N ATOM 1127 CA VAL A 74 7.301 -6.334 -0.453 1.00 0.00 C ATOM 1128 C VAL A 74 8.685 -6.799 -0.930 1.00 0.00 C ATOM 1129 O VAL A 74 9.612 -6.916 -0.154 1.00 0.00 O ATOM 1130 CB VAL A 74 7.378 -4.948 0.220 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.808 -4.624 0.670 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.904 -3.881 -0.767 1.00 0.00 C ATOM 0 H VAL A 74 7.398 -7.585 1.274 1.00 0.00 H new ATOM 0 HA VAL A 74 6.645 -6.257 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 74 6.738 -4.960 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.828 -3.641 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.143 -5.375 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.471 -4.626 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.957 -2.900 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.542 -3.894 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.875 -4.088 -1.060 1.00 0.00 H new ATOM 1142 N GLU A 75 8.828 -7.070 -2.199 1.00 0.00 N ATOM 1143 CA GLU A 75 10.150 -7.530 -2.714 1.00 0.00 C ATOM 1144 C GLU A 75 10.980 -6.319 -3.146 1.00 0.00 C ATOM 1145 O GLU A 75 10.504 -5.444 -3.839 1.00 0.00 O ATOM 1146 CB GLU A 75 9.936 -8.455 -3.914 1.00 0.00 C ATOM 1147 CG GLU A 75 8.753 -9.386 -3.639 1.00 0.00 C ATOM 1148 CD GLU A 75 8.800 -10.569 -4.608 1.00 0.00 C ATOM 1149 OE1 GLU A 75 9.832 -10.757 -5.231 1.00 0.00 O ATOM 1150 OE2 GLU A 75 7.803 -11.264 -4.711 1.00 0.00 O ATOM 0 H GLU A 75 8.090 -6.993 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 75 10.678 -8.070 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.747 -7.866 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.837 -9.040 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.789 -9.743 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.815 -8.844 -3.755 1.00 0.00 H new ATOM 1157 N ASP A 76 12.220 -6.263 -2.740 1.00 0.00 N ATOM 1158 CA ASP A 76 13.077 -5.108 -3.131 1.00 0.00 C ATOM 1159 C ASP A 76 13.672 -5.361 -4.517 1.00 0.00 C ATOM 1160 O ASP A 76 13.149 -4.814 -5.474 1.00 0.00 O ATOM 1161 CB ASP A 76 14.207 -4.944 -2.112 1.00 0.00 C ATOM 1162 CG ASP A 76 13.670 -5.204 -0.703 1.00 0.00 C ATOM 1163 OD1 ASP A 76 12.491 -4.976 -0.488 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.446 -5.626 0.138 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.641 -6.098 -4.598 1.00 0.00 O ATOM 0 H ASP A 76 12.675 -6.965 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 76 12.475 -4.200 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.017 -5.638 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.623 -3.938 -2.174 1.00 0.00 H new