USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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 64 HIS : no HD1:sc= -0.337 K(o=0.2,f=-0.74) USER MOD Set 1.2: A 86 THR OG1 : rot 43:sc= 0.534 USER MOD Set 2.1: A 62 ASN : amide:sc=-0.00428 X(o=-2.4,f=-2.6) USER MOD Set 2.2: A 66 MET CE :methyl -126:sc= -2.39 (180deg=-6.56!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.129 USER MOD Single : A 76 SER OG : rot 96:sc= 0.657 USER MOD Single : A 77 THR OG1 : rot 86:sc= 0.0819 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 85 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.2) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 177:sc= 0.81 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.708 10.783 -9.489 1.00 0.00 N ATOM 84 CA MET A 9 -12.384 10.596 -8.080 1.00 0.00 C ATOM 85 C MET A 9 -10.985 10.009 -7.917 1.00 0.00 C ATOM 86 O MET A 9 -10.600 9.089 -8.639 1.00 0.00 O ATOM 87 CB MET A 9 -13.414 9.682 -7.415 1.00 0.00 C ATOM 88 CG MET A 9 -14.841 10.193 -7.524 1.00 0.00 C ATOM 89 SD MET A 9 -15.229 11.440 -6.280 1.00 0.00 S ATOM 90 CE MET A 9 -16.225 10.482 -5.140 1.00 0.00 C ATOM 0 HA MET A 9 -12.408 11.572 -7.595 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.356 8.692 -7.868 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.158 9.566 -6.362 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.997 10.615 -8.517 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.531 9.356 -7.421 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.543 11.116 -4.313 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.102 10.096 -5.659 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.637 9.650 -4.754 1.00 0.00 H new ATOM 100 N ILE A 10 -10.230 10.547 -6.965 1.00 0.00 N ATOM 101 CA ILE A 10 -8.875 10.075 -6.708 1.00 0.00 C ATOM 102 C ILE A 10 -8.877 8.618 -6.257 1.00 0.00 C ATOM 103 O ILE A 10 -8.281 7.757 -6.905 1.00 0.00 O ATOM 104 CB ILE A 10 -8.175 10.932 -5.637 1.00 0.00 C ATOM 105 CG1 ILE A 10 -8.272 12.416 -5.995 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.720 10.511 -5.490 1.00 0.00 C ATOM 107 CD1 ILE A 10 -7.482 12.793 -7.229 1.00 0.00 C ATOM 0 H ILE A 10 -10.533 11.310 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.327 10.161 -7.646 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.677 10.775 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.319 12.676 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.918 13.009 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.238 11.126 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.673 9.463 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.205 10.642 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.597 13.859 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.428 12.565 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.851 12.227 -8.084 1.00 0.00 H new ATOM 119 N ARG A 11 -9.551 8.350 -5.144 1.00 0.00 N ATOM 120 CA ARG A 11 -9.631 6.997 -4.607 1.00 0.00 C ATOM 121 C ARG A 11 -9.658 5.966 -5.731 1.00 0.00 C ATOM 122 O ARG A 11 -9.134 4.862 -5.586 1.00 0.00 O ATOM 123 CB ARG A 11 -10.877 6.845 -3.732 1.00 0.00 C ATOM 124 CG ARG A 11 -10.920 7.813 -2.561 1.00 0.00 C ATOM 125 CD ARG A 11 -12.317 7.909 -1.968 1.00 0.00 C ATOM 126 NE ARG A 11 -12.832 6.602 -1.567 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.062 6.408 -1.103 1.00 0.00 C ATOM 128 NH1 ARG A 11 -14.898 7.430 -0.984 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.457 5.189 -0.759 1.00 0.00 N ATOM 0 H ARG A 11 -10.050 9.052 -4.597 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.744 6.822 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.764 6.994 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.921 5.825 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.219 7.487 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.595 8.800 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.299 8.572 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.991 8.356 -2.699 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.214 5.795 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.598 8.368 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.842 7.278 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.816 4.401 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.401 5.040 -0.403 1.00 0.00 H new ATOM 143 N GLU A 12 -10.271 6.335 -6.851 1.00 0.00 N ATOM 144 CA GLU A 12 -10.367 5.441 -8.000 1.00 0.00 C ATOM 145 C GLU A 12 -9.025 5.335 -8.719 1.00 0.00 C ATOM 146 O GLU A 12 -8.468 4.246 -8.858 1.00 0.00 O ATOM 147 CB GLU A 12 -11.441 5.935 -8.971 1.00 0.00 C ATOM 148 CG GLU A 12 -12.852 5.850 -8.412 1.00 0.00 C ATOM 149 CD GLU A 12 -13.906 6.247 -9.427 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.354 5.367 -10.191 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.282 7.438 -9.458 1.00 0.00 O ATOM 0 H GLU A 12 -10.709 7.246 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.645 4.452 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.228 6.969 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.387 5.349 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.044 4.832 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.932 6.497 -7.538 1.00 0.00 H new ATOM 158 N ARG A 13 -8.513 6.473 -9.175 1.00 0.00 N ATOM 159 CA ARG A 13 -7.238 6.509 -9.882 1.00 0.00 C ATOM 160 C ARG A 13 -6.163 5.758 -9.101 1.00 0.00 C ATOM 161 O ARG A 13 -5.208 5.241 -9.682 1.00 0.00 O ATOM 162 CB ARG A 13 -6.799 7.956 -10.113 1.00 0.00 C ATOM 163 CG ARG A 13 -6.132 8.590 -8.905 1.00 0.00 C ATOM 164 CD ARG A 13 -5.347 9.835 -9.291 1.00 0.00 C ATOM 165 NE ARG A 13 -6.224 10.934 -9.686 1.00 0.00 N ATOM 166 CZ ARG A 13 -5.840 11.934 -10.471 1.00 0.00 C ATOM 167 NH1 ARG A 13 -4.602 11.973 -10.944 1.00 0.00 N ATOM 168 NH2 ARG A 13 -6.696 12.898 -10.786 1.00 0.00 N ATOM 0 H ARG A 13 -8.961 7.383 -9.068 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.372 6.019 -10.847 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.109 7.987 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.669 8.551 -10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.889 8.851 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.464 7.868 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.729 10.149 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.671 9.597 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.184 10.933 -9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.941 11.234 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.310 12.742 -11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.650 12.871 -10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.400 13.666 -11.389 1.00 0.00 H new ATOM 182 N ILE A 14 -6.324 5.704 -7.784 1.00 0.00 N ATOM 183 CA ILE A 14 -5.368 5.017 -6.925 1.00 0.00 C ATOM 184 C ILE A 14 -5.710 3.537 -6.796 1.00 0.00 C ATOM 185 O ILE A 14 -4.926 2.673 -7.186 1.00 0.00 O ATOM 186 CB ILE A 14 -5.320 5.646 -5.520 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.872 7.106 -5.606 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.388 4.853 -4.616 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.891 7.824 -4.274 1.00 0.00 C ATOM 0 H ILE A 14 -7.108 6.128 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.390 5.122 -7.394 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.322 5.618 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.863 7.144 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.520 7.636 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.365 5.310 -3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.747 3.827 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.384 4.853 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.562 8.854 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.904 7.817 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.221 7.318 -3.579 1.00 0.00 H new ATOM 201 N GLU A 15 -6.887 3.252 -6.247 1.00 0.00 N ATOM 202 CA GLU A 15 -7.333 1.876 -6.067 1.00 0.00 C ATOM 203 C GLU A 15 -7.278 1.110 -7.386 1.00 0.00 C ATOM 204 O GLU A 15 -6.696 0.029 -7.464 1.00 0.00 O ATOM 205 CB GLU A 15 -8.756 1.846 -5.506 1.00 0.00 C ATOM 206 CG GLU A 15 -8.829 2.138 -4.016 1.00 0.00 C ATOM 207 CD GLU A 15 -10.191 2.647 -3.588 1.00 0.00 C ATOM 208 OE1 GLU A 15 -10.585 3.742 -4.040 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.864 1.949 -2.800 1.00 0.00 O ATOM 0 H GLU A 15 -7.548 3.956 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.661 1.393 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.364 2.576 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.192 0.866 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.593 1.231 -3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.071 2.877 -3.757 1.00 0.00 H new ATOM 216 N GLU A 16 -7.890 1.679 -8.420 1.00 0.00 N ATOM 217 CA GLU A 16 -7.913 1.050 -9.735 1.00 0.00 C ATOM 218 C GLU A 16 -6.620 0.282 -9.992 1.00 0.00 C ATOM 219 O GLU A 16 -6.644 -0.870 -10.426 1.00 0.00 O ATOM 220 CB GLU A 16 -8.119 2.103 -10.826 1.00 0.00 C ATOM 221 CG GLU A 16 -9.571 2.509 -11.013 1.00 0.00 C ATOM 222 CD GLU A 16 -10.332 1.555 -11.913 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.366 0.346 -11.601 1.00 0.00 O ATOM 224 OE2 GLU A 16 -10.894 2.017 -12.928 1.00 0.00 O ATOM 0 H GLU A 16 -8.376 2.574 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.745 0.346 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.532 2.988 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.734 1.716 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.060 2.553 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.612 3.513 -11.436 1.00 0.00 H new ATOM 231 N LYS A 17 -5.491 0.928 -9.723 1.00 0.00 N ATOM 232 CA LYS A 17 -4.186 0.308 -9.924 1.00 0.00 C ATOM 233 C LYS A 17 -3.954 -0.810 -8.912 1.00 0.00 C ATOM 234 O LYS A 17 -3.562 -1.919 -9.277 1.00 0.00 O ATOM 235 CB LYS A 17 -3.077 1.356 -9.806 1.00 0.00 C ATOM 236 CG LYS A 17 -2.826 2.122 -11.093 1.00 0.00 C ATOM 237 CD LYS A 17 -4.060 2.889 -11.536 1.00 0.00 C ATOM 238 CE LYS A 17 -3.970 3.294 -12.999 1.00 0.00 C ATOM 239 NZ LYS A 17 -5.255 3.857 -13.499 1.00 0.00 N ATOM 0 H LYS A 17 -5.453 1.882 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.166 -0.122 -10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.338 2.062 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.154 0.863 -9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.998 2.816 -10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.527 1.428 -11.878 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.947 2.274 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.178 3.779 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.177 4.032 -13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.695 2.427 -13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.152 4.121 -14.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.007 3.144 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.505 4.700 -12.943 1.00 0.00 H new ATOM 253 N LEU A 18 -4.199 -0.511 -7.641 1.00 0.00 N ATOM 254 CA LEU A 18 -4.017 -1.492 -6.577 1.00 0.00 C ATOM 255 C LEU A 18 -4.935 -2.693 -6.781 1.00 0.00 C ATOM 256 O LEU A 18 -4.682 -3.777 -6.253 1.00 0.00 O ATOM 257 CB LEU A 18 -4.292 -0.852 -5.215 1.00 0.00 C ATOM 258 CG LEU A 18 -3.610 0.492 -4.955 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.297 1.228 -3.815 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.133 0.290 -4.648 1.00 0.00 C ATOM 0 H LEU A 18 -4.524 0.402 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.984 -1.838 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.368 -0.717 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.981 -1.551 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.694 1.100 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.798 2.182 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.341 1.406 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.245 0.625 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.664 1.257 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.028 -0.337 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.648 -0.195 -5.496 1.00 0.00 H new ATOM 272 N ARG A 19 -5.999 -2.495 -7.552 1.00 0.00 N ATOM 273 CA ARG A 19 -6.953 -3.562 -7.827 1.00 0.00 C ATOM 274 C ARG A 19 -6.293 -4.694 -8.607 1.00 0.00 C ATOM 275 O ARG A 19 -6.163 -5.812 -8.109 1.00 0.00 O ATOM 276 CB ARG A 19 -8.148 -3.017 -8.611 1.00 0.00 C ATOM 277 CG ARG A 19 -9.046 -2.101 -7.796 1.00 0.00 C ATOM 278 CD ARG A 19 -10.354 -1.817 -8.517 1.00 0.00 C ATOM 279 NE ARG A 19 -11.126 -3.034 -8.750 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.442 -3.047 -8.928 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.130 -1.914 -8.899 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.074 -4.196 -9.135 1.00 0.00 N ATOM 0 H ARG A 19 -6.222 -1.605 -7.997 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.303 -3.957 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.782 -2.472 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.739 -3.854 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.254 -2.560 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.527 -1.163 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.948 -1.118 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.144 -1.333 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.627 -3.923 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.649 -1.029 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.141 -1.927 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.549 -5.070 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.085 -4.205 -9.272 1.00 0.00 H new ATOM 296 N ALA A 20 -5.877 -4.397 -9.834 1.00 0.00 N ATOM 297 CA ALA A 20 -5.228 -5.389 -10.682 1.00 0.00 C ATOM 298 C ALA A 20 -3.759 -5.553 -10.310 1.00 0.00 C ATOM 299 O ALA A 20 -3.190 -6.635 -10.451 1.00 0.00 O ATOM 300 CB ALA A 20 -5.363 -5.000 -12.147 1.00 0.00 C ATOM 0 H ALA A 20 -5.978 -3.477 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.725 -6.346 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.874 -5.750 -12.769 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.419 -4.941 -12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.893 -4.030 -12.311 1.00 0.00 H new ATOM 306 N ALA A 21 -3.149 -4.472 -9.834 1.00 0.00 N ATOM 307 CA ALA A 21 -1.746 -4.498 -9.441 1.00 0.00 C ATOM 308 C ALA A 21 -1.442 -5.711 -8.568 1.00 0.00 C ATOM 309 O ALA A 21 -0.569 -6.517 -8.890 1.00 0.00 O ATOM 310 CB ALA A 21 -1.379 -3.215 -8.710 1.00 0.00 C ATOM 0 H ALA A 21 -3.605 -3.568 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.143 -4.574 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.328 -3.248 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.549 -2.361 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.997 -3.115 -7.817 1.00 0.00 H new ATOM 316 N PHE A 22 -2.168 -5.835 -7.462 1.00 0.00 N ATOM 317 CA PHE A 22 -1.975 -6.950 -6.542 1.00 0.00 C ATOM 318 C PHE A 22 -3.239 -7.800 -6.445 1.00 0.00 C ATOM 319 O PHE A 22 -3.176 -9.028 -6.484 1.00 0.00 O ATOM 320 CB PHE A 22 -1.587 -6.433 -5.155 1.00 0.00 C ATOM 321 CG PHE A 22 -0.417 -5.491 -5.173 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.878 -5.975 -5.250 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.613 -4.120 -5.110 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.957 -5.111 -5.267 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.461 -3.251 -5.127 1.00 0.00 C ATOM 326 CZ PHE A 22 1.748 -3.747 -5.204 1.00 0.00 C ATOM 0 H PHE A 22 -2.895 -5.177 -7.181 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.168 -7.573 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.444 -5.927 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.351 -7.281 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.047 -7.041 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.617 -3.727 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.962 -5.502 -5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.294 -2.185 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.589 -3.070 -5.215 1.00 0.00 H new ATOM 336 N GLN A 23 -4.383 -7.136 -6.316 1.00 0.00 N ATOM 337 CA GLN A 23 -5.661 -7.830 -6.212 1.00 0.00 C ATOM 338 C GLN A 23 -5.831 -8.453 -4.830 1.00 0.00 C ATOM 339 O GLN A 23 -6.073 -9.651 -4.688 1.00 0.00 O ATOM 340 CB GLN A 23 -5.767 -8.912 -7.288 1.00 0.00 C ATOM 341 CG GLN A 23 -5.261 -8.467 -8.650 1.00 0.00 C ATOM 342 CD GLN A 23 -5.077 -9.624 -9.612 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.041 -10.289 -9.993 1.00 0.00 O ATOM 344 NE2 GLN A 23 -3.834 -9.872 -10.010 1.00 0.00 N ATOM 0 H GLN A 23 -4.451 -6.119 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.456 -7.099 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.202 -9.787 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.808 -9.221 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.963 -7.752 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.311 -7.947 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.065 -9.295 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.649 -10.639 -10.657 1.00 0.00 H new ATOM 353 N PRO A 24 -5.702 -7.620 -3.786 1.00 0.00 N ATOM 354 CA PRO A 24 -5.837 -8.067 -2.396 1.00 0.00 C ATOM 355 C PRO A 24 -7.273 -8.442 -2.045 1.00 0.00 C ATOM 356 O PRO A 24 -8.130 -8.549 -2.923 1.00 0.00 O ATOM 357 CB PRO A 24 -5.390 -6.848 -1.586 1.00 0.00 C ATOM 358 CG PRO A 24 -5.646 -5.684 -2.481 1.00 0.00 C ATOM 359 CD PRO A 24 -5.413 -6.180 -3.881 1.00 0.00 C ATOM 0 HA PRO A 24 -5.252 -8.965 -2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.952 -6.763 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.336 -6.916 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.665 -5.317 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.979 -4.855 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.069 -5.685 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.389 -5.996 -4.207 1.00 0.00 H new ATOM 367 N VAL A 25 -7.530 -8.639 -0.756 1.00 0.00 N ATOM 368 CA VAL A 25 -8.864 -9.000 -0.289 1.00 0.00 C ATOM 369 C VAL A 25 -9.667 -7.761 0.090 1.00 0.00 C ATOM 370 O VAL A 25 -10.866 -7.679 -0.178 1.00 0.00 O ATOM 371 CB VAL A 25 -8.796 -9.946 0.925 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.087 -9.271 2.089 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.192 -10.395 1.328 1.00 0.00 C ATOM 0 H VAL A 25 -6.833 -8.555 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.360 -9.513 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.222 -10.829 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.049 -9.954 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.073 -9.004 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.631 -8.370 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.126 -11.063 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.793 -9.524 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.660 -10.920 0.495 1.00 0.00 H new ATOM 383 N PHE A 26 -8.999 -6.798 0.716 1.00 0.00 N ATOM 384 CA PHE A 26 -9.651 -5.562 1.134 1.00 0.00 C ATOM 385 C PHE A 26 -9.055 -4.360 0.405 1.00 0.00 C ATOM 386 O PHE A 26 -7.906 -4.395 -0.037 1.00 0.00 O ATOM 387 CB PHE A 26 -9.515 -5.374 2.646 1.00 0.00 C ATOM 388 CG PHE A 26 -10.412 -4.305 3.201 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.756 -4.268 2.867 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.911 -3.336 4.055 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.584 -3.285 3.375 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.734 -2.352 4.567 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.073 -2.325 4.226 1.00 0.00 C ATOM 0 H PHE A 26 -8.006 -6.849 0.945 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.708 -5.634 0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.738 -6.318 3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.480 -5.127 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.161 -5.016 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.865 -3.350 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.630 -3.268 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.331 -1.604 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.718 -1.555 4.624 1.00 0.00 H new ATOM 403 N LEU A 27 -9.845 -3.299 0.284 1.00 0.00 N ATOM 404 CA LEU A 27 -9.398 -2.086 -0.391 1.00 0.00 C ATOM 405 C LEU A 27 -10.264 -0.893 0.002 1.00 0.00 C ATOM 406 O LEU A 27 -11.492 -0.969 -0.030 1.00 0.00 O ATOM 407 CB LEU A 27 -9.434 -2.279 -1.908 1.00 0.00 C ATOM 408 CG LEU A 27 -8.414 -1.473 -2.712 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.010 -2.016 -2.489 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.766 -1.492 -4.192 1.00 0.00 C ATOM 0 H LEU A 27 -10.798 -3.254 0.644 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.373 -1.885 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.282 -3.337 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.432 -2.022 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.442 -0.440 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.297 -1.430 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.758 -1.950 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.968 -3.058 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.029 -0.913 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.767 -2.521 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.754 -1.056 -4.337 1.00 0.00 H new ATOM 422 N GLU A 28 -9.616 0.207 0.370 1.00 0.00 N ATOM 423 CA GLU A 28 -10.328 1.416 0.767 1.00 0.00 C ATOM 424 C GLU A 28 -9.375 2.605 0.857 1.00 0.00 C ATOM 425 O GLU A 28 -8.183 2.441 1.118 1.00 0.00 O ATOM 426 CB GLU A 28 -11.026 1.205 2.112 1.00 0.00 C ATOM 427 CG GLU A 28 -12.117 2.223 2.399 1.00 0.00 C ATOM 428 CD GLU A 28 -13.094 2.370 1.249 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.968 1.490 1.098 1.00 0.00 O ATOM 430 OE2 GLU A 28 -12.986 3.363 0.500 1.00 0.00 O ATOM 0 H GLU A 28 -8.600 0.286 0.402 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.078 1.631 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.459 0.205 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.283 1.248 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.660 1.925 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.660 3.190 2.609 1.00 0.00 H new ATOM 437 N VAL A 29 -9.909 3.802 0.639 1.00 0.00 N ATOM 438 CA VAL A 29 -9.108 5.019 0.695 1.00 0.00 C ATOM 439 C VAL A 29 -9.889 6.162 1.332 1.00 0.00 C ATOM 440 O VAL A 29 -11.062 6.376 1.022 1.00 0.00 O ATOM 441 CB VAL A 29 -8.641 5.449 -0.708 1.00 0.00 C ATOM 442 CG1 VAL A 29 -7.786 6.704 -0.625 1.00 0.00 C ATOM 443 CG2 VAL A 29 -7.879 4.319 -1.385 1.00 0.00 C ATOM 0 H VAL A 29 -10.894 3.955 0.422 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.234 4.795 1.307 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.520 5.677 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.465 6.993 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.368 7.513 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.911 6.508 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.556 4.640 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.007 4.058 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.528 3.448 -1.479 1.00 0.00 H new ATOM 453 N VAL A 30 -9.232 6.897 2.224 1.00 0.00 N ATOM 454 CA VAL A 30 -9.865 8.021 2.903 1.00 0.00 C ATOM 455 C VAL A 30 -9.533 9.339 2.212 1.00 0.00 C ATOM 456 O VAL A 30 -8.428 9.863 2.349 1.00 0.00 O ATOM 457 CB VAL A 30 -9.427 8.104 4.378 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.290 9.101 5.136 1.00 0.00 C ATOM 459 CG2 VAL A 30 -9.487 6.730 5.029 1.00 0.00 C ATOM 0 H VAL A 30 -8.262 6.734 2.493 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.941 7.852 2.859 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.395 8.453 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.966 9.146 6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.191 10.087 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.332 8.785 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.174 6.807 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.508 6.350 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.822 6.047 4.500 1.00 0.00 H new ATOM 469 N ASP A 31 -10.498 9.869 1.468 1.00 0.00 N ATOM 470 CA ASP A 31 -10.309 11.127 0.756 1.00 0.00 C ATOM 471 C ASP A 31 -10.184 12.292 1.733 1.00 0.00 C ATOM 472 O ASP A 31 -10.660 12.218 2.865 1.00 0.00 O ATOM 473 CB ASP A 31 -11.475 11.374 -0.204 1.00 0.00 C ATOM 474 CG ASP A 31 -12.607 12.144 0.446 1.00 0.00 C ATOM 475 OD1 ASP A 31 -13.401 11.522 1.182 1.00 0.00 O ATOM 476 OD2 ASP A 31 -12.700 13.368 0.219 1.00 0.00 O ATOM 0 H ASP A 31 -11.418 9.447 1.343 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.384 11.056 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.116 11.926 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.852 10.418 -0.567 1.00 0.00 H new ATOM 481 N GLU A 32 -9.539 13.365 1.287 1.00 0.00 N ATOM 482 CA GLU A 32 -9.350 14.545 2.123 1.00 0.00 C ATOM 483 C GLU A 32 -9.831 15.803 1.407 1.00 0.00 C ATOM 484 O GLU A 32 -10.392 15.732 0.313 1.00 0.00 O ATOM 485 CB GLU A 32 -7.876 14.694 2.506 1.00 0.00 C ATOM 486 CG GLU A 32 -6.968 14.996 1.325 1.00 0.00 C ATOM 487 CD GLU A 32 -5.510 15.111 1.725 1.00 0.00 C ATOM 488 OE1 GLU A 32 -5.239 15.350 2.920 1.00 0.00 O ATOM 489 OE2 GLU A 32 -4.640 14.962 0.842 1.00 0.00 O ATOM 0 H GLU A 32 -9.139 13.442 0.352 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.943 14.416 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.779 15.493 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.540 13.775 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.075 14.209 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.287 15.927 0.855 1.00 0.00 H new ATOM 686 N PHE A 46 -5.482 12.133 4.120 1.00 0.00 N ATOM 687 CA PHE A 46 -5.493 11.110 3.080 1.00 0.00 C ATOM 688 C PHE A 46 -4.849 9.820 3.579 1.00 0.00 C ATOM 689 O PHE A 46 -3.704 9.818 4.031 1.00 0.00 O ATOM 690 CB PHE A 46 -4.758 11.611 1.835 1.00 0.00 C ATOM 691 CG PHE A 46 -5.240 10.980 0.560 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.586 10.991 0.232 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.347 10.376 -0.310 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.032 10.410 -0.940 1.00 0.00 C ATOM 695 CE2 PHE A 46 -4.787 9.794 -1.484 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.132 9.812 -1.800 1.00 0.00 C ATOM 0 HA PHE A 46 -6.531 10.901 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.876 12.692 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.692 11.414 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.295 11.459 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.295 10.360 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.084 10.424 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.080 9.326 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.479 9.360 -2.717 1.00 0.00 H new ATOM 706 N LYS A 47 -5.594 8.723 3.495 1.00 0.00 N ATOM 707 CA LYS A 47 -5.099 7.425 3.937 1.00 0.00 C ATOM 708 C LYS A 47 -5.538 6.321 2.980 1.00 0.00 C ATOM 709 O LYS A 47 -6.516 6.472 2.249 1.00 0.00 O ATOM 710 CB LYS A 47 -5.600 7.119 5.350 1.00 0.00 C ATOM 711 CG LYS A 47 -5.328 5.693 5.796 1.00 0.00 C ATOM 712 CD LYS A 47 -5.923 5.413 7.166 1.00 0.00 C ATOM 713 CE LYS A 47 -7.361 4.928 7.060 1.00 0.00 C ATOM 714 NZ LYS A 47 -7.721 4.012 8.178 1.00 0.00 N ATOM 0 H LYS A 47 -6.544 8.707 3.124 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.010 7.463 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.127 7.807 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.673 7.306 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.746 4.997 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.252 5.518 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.321 4.662 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.887 6.319 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.034 5.785 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.502 4.414 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.708 3.704 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.095 3.182 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.611 4.510 9.084 1.00 0.00 H new ATOM 728 N VAL A 48 -4.808 5.210 2.991 1.00 0.00 N ATOM 729 CA VAL A 48 -5.123 4.079 2.126 1.00 0.00 C ATOM 730 C VAL A 48 -5.022 2.761 2.886 1.00 0.00 C ATOM 731 O VAL A 48 -3.991 2.456 3.486 1.00 0.00 O ATOM 732 CB VAL A 48 -4.186 4.029 0.905 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.414 2.752 0.110 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.388 5.255 0.028 1.00 0.00 C ATOM 0 H VAL A 48 -3.994 5.069 3.590 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.148 4.219 1.782 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.155 4.030 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.743 2.734 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.215 1.888 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.447 2.718 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.718 5.203 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.421 5.288 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.171 6.154 0.604 1.00 0.00 H new ATOM 744 N VAL A 49 -6.099 1.983 2.856 1.00 0.00 N ATOM 745 CA VAL A 49 -6.131 0.696 3.540 1.00 0.00 C ATOM 746 C VAL A 49 -6.181 -0.456 2.543 1.00 0.00 C ATOM 747 O VAL A 49 -7.078 -0.526 1.702 1.00 0.00 O ATOM 748 CB VAL A 49 -7.342 0.593 4.486 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.382 -0.771 5.157 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.303 1.706 5.524 1.00 0.00 C ATOM 0 H VAL A 49 -6.961 2.222 2.365 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.214 0.627 4.125 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.252 0.708 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.244 -0.824 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.461 -1.548 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.469 -0.919 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.166 1.618 6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.388 1.625 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.327 2.673 5.022 1.00 0.00 H new ATOM 760 N LEU A 50 -5.211 -1.358 2.641 1.00 0.00 N ATOM 761 CA LEU A 50 -5.143 -2.509 1.747 1.00 0.00 C ATOM 762 C LEU A 50 -4.648 -3.747 2.489 1.00 0.00 C ATOM 763 O LEU A 50 -3.470 -3.847 2.832 1.00 0.00 O ATOM 764 CB LEU A 50 -4.223 -2.207 0.563 1.00 0.00 C ATOM 765 CG LEU A 50 -4.207 -3.248 -0.557 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.775 -2.613 -1.870 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.289 -4.407 -0.196 1.00 0.00 C ATOM 0 H LEU A 50 -4.461 -1.315 3.330 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.148 -2.709 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.516 -1.248 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.206 -2.091 0.939 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.218 -3.636 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.770 -3.369 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.472 -1.818 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.774 -2.196 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.290 -5.138 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.276 -4.035 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.643 -4.879 0.720 1.00 0.00 H new ATOM 779 N VAL A 51 -5.554 -4.688 2.731 1.00 0.00 N ATOM 780 CA VAL A 51 -5.209 -5.921 3.429 1.00 0.00 C ATOM 781 C VAL A 51 -4.719 -6.986 2.454 1.00 0.00 C ATOM 782 O VAL A 51 -5.287 -7.162 1.376 1.00 0.00 O ATOM 783 CB VAL A 51 -6.410 -6.475 4.217 1.00 0.00 C ATOM 784 CG1 VAL A 51 -6.101 -7.864 4.755 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.787 -5.529 5.348 1.00 0.00 C ATOM 0 H VAL A 51 -6.533 -4.620 2.454 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.408 -5.676 4.127 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.261 -6.554 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.961 -8.239 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.883 -8.536 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.237 -7.814 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.638 -5.936 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.941 -5.416 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.053 -4.556 4.935 1.00 0.00 H new ATOM 795 N SER A 52 -3.663 -7.694 2.840 1.00 0.00 N ATOM 796 CA SER A 52 -3.095 -8.740 1.999 1.00 0.00 C ATOM 797 C SER A 52 -2.141 -9.622 2.799 1.00 0.00 C ATOM 798 O SER A 52 -1.402 -9.138 3.656 1.00 0.00 O ATOM 799 CB SER A 52 -2.359 -8.123 0.808 1.00 0.00 C ATOM 800 OG SER A 52 -2.235 -9.054 -0.253 1.00 0.00 O ATOM 0 H SER A 52 -3.183 -7.562 3.730 1.00 0.00 H new ATOM 0 HA SER A 52 -3.913 -9.360 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.897 -7.241 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.370 -7.790 1.121 1.00 0.00 H new ATOM 0 HG SER A 52 -1.763 -8.635 -1.002 1.00 0.00 H new ATOM 806 N ASP A 53 -2.164 -10.919 2.511 1.00 0.00 N ATOM 807 CA ASP A 53 -1.301 -11.871 3.202 1.00 0.00 C ATOM 808 C ASP A 53 -0.026 -12.127 2.404 1.00 0.00 C ATOM 809 O ASP A 53 0.947 -12.669 2.928 1.00 0.00 O ATOM 810 CB ASP A 53 -2.043 -13.187 3.439 1.00 0.00 C ATOM 811 CG ASP A 53 -1.424 -14.009 4.552 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.307 -13.487 5.681 1.00 0.00 O ATOM 813 OD2 ASP A 53 -1.056 -15.174 4.294 1.00 0.00 O ATOM 0 H ASP A 53 -2.770 -11.335 1.804 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.025 -11.441 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.084 -12.975 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.045 -13.771 2.518 1.00 0.00 H new ATOM 818 N ARG A 54 -0.041 -11.736 1.134 1.00 0.00 N ATOM 819 CA ARG A 54 1.112 -11.927 0.263 1.00 0.00 C ATOM 820 C ARG A 54 2.211 -10.919 0.588 1.00 0.00 C ATOM 821 O ARG A 54 3.253 -10.887 -0.068 1.00 0.00 O ATOM 822 CB ARG A 54 0.698 -11.790 -1.204 1.00 0.00 C ATOM 823 CG ARG A 54 -0.003 -13.020 -1.756 1.00 0.00 C ATOM 824 CD ARG A 54 0.995 -14.060 -2.240 1.00 0.00 C ATOM 825 NE ARG A 54 0.333 -15.223 -2.825 1.00 0.00 N ATOM 826 CZ ARG A 54 0.911 -16.412 -2.951 1.00 0.00 C ATOM 827 NH1 ARG A 54 2.157 -16.595 -2.534 1.00 0.00 N ATOM 828 NH2 ARG A 54 0.244 -17.423 -3.494 1.00 0.00 N ATOM 0 H ARG A 54 -0.839 -11.285 0.686 1.00 0.00 H new ATOM 0 HA ARG A 54 1.501 -12.931 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.038 -10.929 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.584 -11.587 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.638 -13.455 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.655 -12.729 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.658 -13.610 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.619 -14.380 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.626 -15.116 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.673 -15.821 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.598 -17.509 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.714 -17.288 -3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.690 -18.335 -3.590 1.00 0.00 H new ATOM 842 N PHE A 55 1.972 -10.098 1.605 1.00 0.00 N ATOM 843 CA PHE A 55 2.940 -9.088 2.016 1.00 0.00 C ATOM 844 C PHE A 55 3.904 -9.652 3.057 1.00 0.00 C ATOM 845 O PHE A 55 5.068 -9.255 3.121 1.00 0.00 O ATOM 846 CB PHE A 55 2.221 -7.862 2.582 1.00 0.00 C ATOM 847 CG PHE A 55 1.756 -6.900 1.527 1.00 0.00 C ATOM 848 CD1 PHE A 55 2.603 -6.515 0.500 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.472 -6.380 1.561 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.178 -5.630 -0.473 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.042 -5.496 0.591 1.00 0.00 C ATOM 852 CZ PHE A 55 0.896 -5.119 -0.427 1.00 0.00 C ATOM 0 H PHE A 55 1.116 -10.112 2.160 1.00 0.00 H new ATOM 0 HA PHE A 55 3.513 -8.791 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.362 -8.192 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.891 -7.342 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.607 -6.911 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.200 -6.669 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.848 -5.338 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.962 -5.100 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.562 -4.426 -1.185 1.00 0.00 H new ATOM 961 N ASN A 62 10.044 -3.627 2.199 1.00 0.00 N ATOM 962 CA ASN A 62 10.153 -3.801 0.755 1.00 0.00 C ATOM 963 C ASN A 62 8.772 -3.826 0.106 1.00 0.00 C ATOM 964 O ASN A 62 8.615 -3.450 -1.056 1.00 0.00 O ATOM 965 CB ASN A 62 10.905 -5.094 0.432 1.00 0.00 C ATOM 966 CG ASN A 62 10.555 -5.638 -0.940 1.00 0.00 C ATOM 967 OD1 ASN A 62 11.034 -5.140 -1.959 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.715 -6.666 -0.972 1.00 0.00 N ATOM 0 HA ASN A 62 10.710 -2.955 0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.978 -4.910 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.673 -5.845 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.443 -7.074 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.342 -7.047 -0.102 1.00 0.00 H new ATOM 975 N ARG A 63 7.776 -4.272 0.863 1.00 0.00 N ATOM 976 CA ARG A 63 6.409 -4.347 0.361 1.00 0.00 C ATOM 977 C ARG A 63 5.838 -2.951 0.128 1.00 0.00 C ATOM 978 O ARG A 63 5.444 -2.609 -0.987 1.00 0.00 O ATOM 979 CB ARG A 63 5.523 -5.113 1.345 1.00 0.00 C ATOM 980 CG ARG A 63 6.003 -6.529 1.621 1.00 0.00 C ATOM 981 CD ARG A 63 6.335 -7.266 0.333 1.00 0.00 C ATOM 982 NE ARG A 63 6.804 -8.626 0.586 1.00 0.00 N ATOM 983 CZ ARG A 63 7.035 -9.514 -0.374 1.00 0.00 C ATOM 984 NH1 ARG A 63 6.842 -9.187 -1.645 1.00 0.00 N ATOM 985 NH2 ARG A 63 7.460 -10.732 -0.065 1.00 0.00 N ATOM 0 H ARG A 63 7.889 -4.587 1.826 1.00 0.00 H new ATOM 0 HA ARG A 63 6.427 -4.878 -0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.479 -4.563 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.507 -5.153 0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.885 -6.497 2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.233 -7.075 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.451 -7.300 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.100 -6.714 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 63 6.963 -8.909 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.515 -8.251 -1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.020 -9.871 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.610 -10.988 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.637 -11.413 -0.803 1.00 0.00 H new ATOM 999 N HIS A 64 5.797 -2.149 1.187 1.00 0.00 N ATOM 1000 CA HIS A 64 5.275 -0.790 1.098 1.00 0.00 C ATOM 1001 C HIS A 64 5.855 -0.064 -0.112 1.00 0.00 C ATOM 1002 O HIS A 64 5.125 0.560 -0.883 1.00 0.00 O ATOM 1003 CB HIS A 64 5.594 -0.013 2.375 1.00 0.00 C ATOM 1004 CG HIS A 64 4.609 -0.245 3.479 1.00 0.00 C ATOM 1005 ND1 HIS A 64 3.535 0.587 3.717 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.538 -1.223 4.412 1.00 0.00 C ATOM 1007 CE1 HIS A 64 2.848 0.131 4.749 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.435 -0.967 5.189 1.00 0.00 N ATOM 0 H HIS A 64 6.119 -2.417 2.117 1.00 0.00 H new ATOM 0 HA HIS A 64 4.193 -0.850 0.980 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.589 -0.293 2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.625 1.052 2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.222 -2.051 4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.957 0.580 5.163 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.120 -1.533 5.977 1.00 0.00 H new ATOM 1017 N ARG A 65 7.172 -0.148 -0.271 1.00 0.00 N ATOM 1018 CA ARG A 65 7.850 0.503 -1.386 1.00 0.00 C ATOM 1019 C ARG A 65 7.060 0.329 -2.679 1.00 0.00 C ATOM 1020 O ARG A 65 6.746 1.303 -3.362 1.00 0.00 O ATOM 1021 CB ARG A 65 9.260 -0.066 -1.555 1.00 0.00 C ATOM 1022 CG ARG A 65 10.165 0.181 -0.360 1.00 0.00 C ATOM 1023 CD ARG A 65 11.544 -0.422 -0.571 1.00 0.00 C ATOM 1024 NE ARG A 65 12.338 0.346 -1.527 1.00 0.00 N ATOM 1025 CZ ARG A 65 13.664 0.305 -1.582 1.00 0.00 C ATOM 1026 NH1 ARG A 65 14.342 -0.464 -0.741 1.00 0.00 N ATOM 1027 NH2 ARG A 65 14.315 1.033 -2.480 1.00 0.00 N ATOM 0 H ARG A 65 7.791 -0.660 0.358 1.00 0.00 H new ATOM 0 HA ARG A 65 7.920 1.568 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.190 -1.139 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.716 0.374 -2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.258 1.253 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.713 -0.247 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.070 -0.467 0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.441 -1.447 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 65 11.847 0.947 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.845 -1.026 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.361 -0.494 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.797 1.625 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.334 1.001 -2.521 1.00 0.00 H new ATOM 1041 N MET A 66 6.743 -0.919 -3.009 1.00 0.00 N ATOM 1042 CA MET A 66 5.989 -1.221 -4.221 1.00 0.00 C ATOM 1043 C MET A 66 4.752 -0.335 -4.326 1.00 0.00 C ATOM 1044 O MET A 66 4.576 0.387 -5.308 1.00 0.00 O ATOM 1045 CB MET A 66 5.578 -2.694 -4.238 1.00 0.00 C ATOM 1046 CG MET A 66 6.740 -3.647 -4.469 1.00 0.00 C ATOM 1047 SD MET A 66 6.227 -5.375 -4.498 1.00 0.00 S ATOM 1048 CE MET A 66 6.712 -5.899 -2.855 1.00 0.00 C ATOM 0 H MET A 66 6.996 -1.737 -2.455 1.00 0.00 H new ATOM 0 HA MET A 66 6.632 -1.021 -5.078 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.100 -2.940 -3.290 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.833 -2.846 -5.019 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.225 -3.400 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.482 -3.506 -3.683 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.352 -6.778 -2.928 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.256 -5.093 -2.362 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.823 -6.145 -2.274 1.00 0.00 H new ATOM 1058 N ILE A 67 3.899 -0.394 -3.309 1.00 0.00 N ATOM 1059 CA ILE A 67 2.679 0.404 -3.288 1.00 0.00 C ATOM 1060 C ILE A 67 2.925 1.799 -3.852 1.00 0.00 C ATOM 1061 O ILE A 67 2.174 2.278 -4.702 1.00 0.00 O ATOM 1062 CB ILE A 67 2.114 0.531 -1.861 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.771 -0.850 -1.300 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.887 1.431 -1.856 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.495 -1.433 -1.866 1.00 0.00 C ATOM 0 H ILE A 67 4.030 -0.986 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 67 1.952 -0.115 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 67 2.874 0.982 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.596 -1.532 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.679 -0.780 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.499 1.511 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.161 2.422 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.121 1.006 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.315 -2.413 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.340 -0.772 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.590 -1.535 -2.947 1.00 0.00 H new ATOM 1077 N TYR A 68 3.983 2.445 -3.376 1.00 0.00 N ATOM 1078 CA TYR A 68 4.329 3.786 -3.832 1.00 0.00 C ATOM 1079 C TYR A 68 4.595 3.799 -5.334 1.00 0.00 C ATOM 1080 O TYR A 68 3.969 4.551 -6.080 1.00 0.00 O ATOM 1081 CB TYR A 68 5.557 4.303 -3.080 1.00 0.00 C ATOM 1082 CG TYR A 68 5.234 4.900 -1.729 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.207 5.825 -1.585 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.955 4.540 -0.598 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.908 6.374 -0.353 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.662 5.082 0.638 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.638 5.999 0.756 1.00 0.00 C ATOM 1088 OH TYR A 68 4.345 6.542 1.985 1.00 0.00 O ATOM 0 H TYR A 68 4.616 2.062 -2.674 1.00 0.00 H new ATOM 0 HA TYR A 68 3.483 4.442 -3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.262 3.483 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.056 5.056 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.633 6.120 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.759 3.824 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.107 7.093 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.232 4.790 1.508 1.00 0.00 H new ATOM 0 HH TYR A 68 4.952 6.171 2.660 1.00 0.00 H new ATOM 1098 N SER A 69 5.529 2.960 -5.770 1.00 0.00 N ATOM 1099 CA SER A 69 5.882 2.876 -7.182 1.00 0.00 C ATOM 1100 C SER A 69 4.639 2.669 -8.041 1.00 0.00 C ATOM 1101 O SER A 69 4.501 3.266 -9.110 1.00 0.00 O ATOM 1102 CB SER A 69 6.873 1.733 -7.415 1.00 0.00 C ATOM 1103 OG SER A 69 7.642 1.955 -8.584 1.00 0.00 O ATOM 0 H SER A 69 6.055 2.329 -5.166 1.00 0.00 H new ATOM 0 HA SER A 69 6.350 3.817 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.534 1.639 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.332 0.791 -7.505 1.00 0.00 H new ATOM 0 HG SER A 69 8.268 1.212 -8.710 1.00 0.00 H new ATOM 1109 N THR A 70 3.734 1.818 -7.567 1.00 0.00 N ATOM 1110 CA THR A 70 2.502 1.531 -8.291 1.00 0.00 C ATOM 1111 C THR A 70 1.803 2.816 -8.719 1.00 0.00 C ATOM 1112 O THR A 70 1.340 2.934 -9.854 1.00 0.00 O ATOM 1113 CB THR A 70 1.532 0.692 -7.437 1.00 0.00 C ATOM 1114 OG1 THR A 70 2.138 -0.558 -7.092 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.231 0.441 -8.186 1.00 0.00 C ATOM 0 H THR A 70 3.831 1.316 -6.685 1.00 0.00 H new ATOM 0 HA THR A 70 2.781 0.961 -9.177 1.00 0.00 H new ATOM 0 HB THR A 70 1.308 1.250 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.875 -0.402 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.438 -0.153 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.243 1.394 -8.422 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.441 -0.098 -9.110 1.00 0.00 H new ATOM 1123 N LEU A 71 1.730 3.777 -7.805 1.00 0.00 N ATOM 1124 CA LEU A 71 1.088 5.056 -8.089 1.00 0.00 C ATOM 1125 C LEU A 71 1.965 6.218 -7.636 1.00 0.00 C ATOM 1126 O LEU A 71 1.470 7.211 -7.102 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.274 5.129 -7.397 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.402 4.359 -6.082 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -0.006 5.239 -4.907 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -1.820 3.835 -5.906 1.00 0.00 C ATOM 0 H LEU A 71 2.107 3.695 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 71 0.946 5.132 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.506 6.177 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.030 4.757 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 71 0.277 3.507 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.104 4.674 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.028 5.563 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.658 6.112 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.892 3.290 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.518 4.672 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.066 3.168 -6.732 1.00 0.00 H new ATOM 1142 N ALA A 72 3.270 6.089 -7.853 1.00 0.00 N ATOM 1143 CA ALA A 72 4.215 7.130 -7.471 1.00 0.00 C ATOM 1144 C ALA A 72 3.918 8.436 -8.201 1.00 0.00 C ATOM 1145 O ALA A 72 4.090 9.520 -7.645 1.00 0.00 O ATOM 1146 CB ALA A 72 5.640 6.678 -7.752 1.00 0.00 C ATOM 0 H ALA A 72 3.697 5.273 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 72 4.107 7.310 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.335 7.466 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.855 5.775 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.752 6.469 -8.816 1.00 0.00 H new ATOM 1152 N GLU A 73 3.474 8.323 -9.449 1.00 0.00 N ATOM 1153 CA GLU A 73 3.155 9.496 -10.254 1.00 0.00 C ATOM 1154 C GLU A 73 1.736 9.980 -9.974 1.00 0.00 C ATOM 1155 O GLU A 73 1.503 11.171 -9.774 1.00 0.00 O ATOM 1156 CB GLU A 73 3.313 9.178 -11.743 1.00 0.00 C ATOM 1157 CG GLU A 73 4.756 9.188 -12.218 1.00 0.00 C ATOM 1158 CD GLU A 73 4.897 8.756 -13.664 1.00 0.00 C ATOM 1159 OE1 GLU A 73 4.740 7.548 -13.940 1.00 0.00 O ATOM 1160 OE2 GLU A 73 5.165 9.625 -14.520 1.00 0.00 O ATOM 0 H GLU A 73 3.327 7.432 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 73 3.850 10.290 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.880 8.198 -11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.743 9.904 -12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.166 10.191 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.347 8.526 -11.586 1.00 0.00 H new ATOM 1167 N GLU A 74 0.790 9.045 -9.961 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.607 9.376 -9.707 1.00 0.00 C ATOM 1169 C GLU A 74 -0.747 10.200 -8.430 1.00 0.00 C ATOM 1170 O GLU A 74 -1.467 11.199 -8.397 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.445 8.101 -9.599 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.323 7.188 -10.807 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.878 7.816 -12.071 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.105 8.036 -12.134 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.084 8.088 -12.996 1.00 0.00 O ATOM 0 H GLU A 74 0.966 8.054 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.971 9.971 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.142 7.552 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.492 8.375 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.274 6.935 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.850 6.255 -10.607 1.00 0.00 H new ATOM 1182 N LEU A 75 -0.055 9.774 -7.379 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.101 10.470 -6.098 1.00 0.00 C ATOM 1184 C LEU A 75 0.621 11.811 -6.181 1.00 0.00 C ATOM 1185 O LEU A 75 0.363 12.716 -5.388 1.00 0.00 O ATOM 1186 CB LEU A 75 0.526 9.607 -5.003 1.00 0.00 C ATOM 1187 CG LEU A 75 2.052 9.507 -5.019 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.674 10.712 -4.330 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.509 8.216 -4.354 1.00 0.00 C ATOM 0 H LEU A 75 0.545 8.949 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.146 10.656 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.218 10.003 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.115 8.601 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 75 2.385 9.496 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.760 10.623 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.374 11.623 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.334 10.755 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.597 8.162 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.164 8.197 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.093 7.363 -4.891 1.00 0.00 H new ATOM 1201 N SER A 76 1.525 11.932 -7.148 1.00 0.00 N ATOM 1202 CA SER A 76 2.286 13.162 -7.334 1.00 0.00 C ATOM 1203 C SER A 76 1.558 14.114 -8.278 1.00 0.00 C ATOM 1204 O SER A 76 2.158 15.029 -8.842 1.00 0.00 O ATOM 1205 CB SER A 76 3.679 12.847 -7.884 1.00 0.00 C ATOM 1206 OG SER A 76 4.506 12.282 -6.882 1.00 0.00 O ATOM 0 H SER A 76 1.748 11.193 -7.815 1.00 0.00 H new ATOM 0 HA SER A 76 2.387 13.647 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.595 12.156 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.137 13.759 -8.267 1.00 0.00 H new ATOM 0 HG SER A 76 4.490 11.305 -6.957 1.00 0.00 H new ATOM 1212 N THR A 77 0.258 13.891 -8.447 1.00 0.00 N ATOM 1213 CA THR A 77 -0.554 14.726 -9.322 1.00 0.00 C ATOM 1214 C THR A 77 -1.282 15.807 -8.532 1.00 0.00 C ATOM 1215 O THR A 77 -1.110 16.999 -8.785 1.00 0.00 O ATOM 1216 CB THR A 77 -1.588 13.889 -10.098 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.923 12.886 -10.875 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.425 14.772 -11.011 1.00 0.00 C ATOM 0 H THR A 77 -0.255 13.138 -7.988 1.00 0.00 H new ATOM 0 HA THR A 77 0.128 15.195 -10.031 1.00 0.00 H new ATOM 0 HB THR A 77 -2.250 13.410 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.763 12.095 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.148 14.158 -11.548 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.953 15.516 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.775 15.276 -11.726 1.00 0.00 H new ATOM 1226 N THR A 78 -2.097 15.382 -7.570 1.00 0.00 N ATOM 1227 CA THR A 78 -2.852 16.314 -6.742 1.00 0.00 C ATOM 1228 C THR A 78 -2.567 16.089 -5.262 1.00 0.00 C ATOM 1229 O THR A 78 -2.320 17.036 -4.516 1.00 0.00 O ATOM 1230 CB THR A 78 -4.367 16.182 -6.987 1.00 0.00 C ATOM 1231 OG1 THR A 78 -5.080 17.108 -6.160 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.842 14.766 -6.697 1.00 0.00 C ATOM 0 H THR A 78 -2.250 14.399 -7.346 1.00 0.00 H new ATOM 0 HA THR A 78 -2.532 17.317 -7.023 1.00 0.00 H new ATOM 0 HB THR A 78 -4.563 16.406 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.042 17.019 -6.323 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.915 14.698 -6.877 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.319 14.066 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.633 14.518 -5.656 1.00 0.00 H new ATOM 1240 N VAL A 79 -2.603 14.828 -4.842 1.00 0.00 N ATOM 1241 CA VAL A 79 -2.347 14.478 -3.450 1.00 0.00 C ATOM 1242 C VAL A 79 -0.901 14.772 -3.067 1.00 0.00 C ATOM 1243 O VAL A 79 0.007 14.659 -3.892 1.00 0.00 O ATOM 1244 CB VAL A 79 -2.646 12.992 -3.180 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -2.199 12.602 -1.779 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -4.127 12.702 -3.376 1.00 0.00 C ATOM 0 H VAL A 79 -2.807 14.032 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.013 15.090 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.084 12.391 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.419 11.548 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.127 12.770 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.731 13.208 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.320 11.647 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.711 13.311 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.412 12.940 -4.401 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.692 15.149 -1.809 1.00 0.00 N ATOM 1257 CA HIS A 80 0.645 15.458 -1.316 1.00 0.00 C ATOM 1258 C HIS A 80 1.130 14.382 -0.349 1.00 0.00 C ATOM 1259 O HIS A 80 2.102 13.680 -0.623 1.00 0.00 O ATOM 1260 CB HIS A 80 0.654 16.823 -0.626 1.00 0.00 C ATOM 1261 CG HIS A 80 2.021 17.424 -0.506 1.00 0.00 C ATOM 1262 ND1 HIS A 80 2.978 16.950 0.366 1.00 0.00 N ATOM 1263 CD2 HIS A 80 2.589 18.467 -1.155 1.00 0.00 C ATOM 1264 CE1 HIS A 80 4.075 17.675 0.249 1.00 0.00 C ATOM 1265 NE2 HIS A 80 3.866 18.603 -0.668 1.00 0.00 N ATOM 0 H HIS A 80 -1.431 15.248 -1.113 1.00 0.00 H new ATOM 0 HA HIS A 80 1.323 15.486 -2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.013 17.507 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.222 16.721 0.370 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.125 19.079 -1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.988 17.534 0.808 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.543 19.306 -0.966 1.00 0.00 H new ATOM 1274 N ALA A 81 0.445 14.260 0.784 1.00 0.00 N ATOM 1275 CA ALA A 81 0.805 13.269 1.791 1.00 0.00 C ATOM 1276 C ALA A 81 -0.190 12.113 1.803 1.00 0.00 C ATOM 1277 O ALA A 81 -1.361 12.284 1.462 1.00 0.00 O ATOM 1278 CB ALA A 81 0.881 13.917 3.165 1.00 0.00 C ATOM 0 H ALA A 81 -0.362 14.835 1.027 1.00 0.00 H new ATOM 0 HA ALA A 81 1.786 12.867 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.151 13.166 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.635 14.704 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.088 14.346 3.419 1.00 0.00 H new ATOM 1284 N LEU A 82 0.284 10.936 2.198 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.564 9.750 2.254 1.00 0.00 C ATOM 1286 C LEU A 82 0.015 8.712 3.209 1.00 0.00 C ATOM 1287 O LEU A 82 1.232 8.579 3.333 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.722 9.145 0.858 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.518 7.843 0.777 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.967 8.077 1.176 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.438 7.254 -0.624 1.00 0.00 C ATOM 0 H LEU A 82 1.250 10.778 2.484 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.544 10.051 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.204 9.883 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.272 8.966 0.447 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.081 7.129 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.518 7.139 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.007 8.452 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.416 8.808 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.011 6.327 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.849 7.964 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.397 7.048 -0.873 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.866 7.976 3.880 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.442 6.946 4.820 1.00 0.00 C ATOM 1305 C ALA A 83 -0.865 5.561 4.344 1.00 0.00 C ATOM 1306 O ALA A 83 -2.051 5.299 4.139 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.010 7.228 6.203 1.00 0.00 C ATOM 0 H ALA A 83 -1.877 8.074 3.790 1.00 0.00 H new ATOM 0 HA ALA A 83 0.646 6.965 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.685 6.451 6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.653 8.197 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.099 7.238 6.154 1.00 0.00 H new ATOM 1313 N LEU A 84 0.111 4.677 4.170 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.160 3.317 3.717 1.00 0.00 C ATOM 1315 C LEU A 84 -0.300 2.366 4.901 1.00 0.00 C ATOM 1316 O LEU A 84 0.613 2.234 5.717 1.00 0.00 O ATOM 1317 CB LEU A 84 0.958 2.834 2.791 1.00 0.00 C ATOM 1318 CG LEU A 84 1.305 3.756 1.621 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.424 3.157 0.783 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.074 4.015 0.763 1.00 0.00 C ATOM 0 H LEU A 84 1.097 4.877 4.336 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.101 3.325 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.857 2.683 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.675 1.861 2.389 1.00 0.00 H new ATOM 0 HG LEU A 84 1.650 4.708 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.657 3.827 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.311 3.023 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.107 2.191 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.339 4.673 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.301 3.070 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.699 4.488 1.369 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.449 1.704 4.989 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.708 0.762 6.073 1.00 0.00 C ATOM 1334 C HIS A 85 -1.990 -0.633 5.525 1.00 0.00 C ATOM 1335 O HIS A 85 -3.145 -1.025 5.356 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.889 1.238 6.919 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.526 2.299 7.912 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.744 2.055 9.022 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.839 3.615 7.957 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.595 3.174 9.708 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.249 4.136 9.083 1.00 0.00 N ATOM 0 H HIS A 85 -2.216 1.802 4.323 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.817 0.714 6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.667 1.621 6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.312 0.385 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.441 4.155 7.241 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.034 3.283 10.624 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.307 5.108 9.387 1.00 0.00 H new ATOM 1350 N THR A 86 -0.926 -1.381 5.247 1.00 0.00 N ATOM 1351 CA THR A 86 -1.058 -2.731 4.716 1.00 0.00 C ATOM 1352 C THR A 86 -1.000 -3.769 5.831 1.00 0.00 C ATOM 1353 O THR A 86 0.074 -4.082 6.345 1.00 0.00 O ATOM 1354 CB THR A 86 0.044 -3.040 3.685 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.333 -2.782 4.253 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.139 -2.201 2.429 1.00 0.00 C ATOM 0 H THR A 86 0.037 -1.073 5.381 1.00 0.00 H new ATOM 0 HA THR A 86 -2.030 -2.783 4.225 1.00 0.00 H new ATOM 0 HB THR A 86 -0.029 -4.093 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.363 -3.132 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.651 -2.437 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.109 -2.421 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.090 -1.143 2.688 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.160 -4.299 6.200 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.241 -5.300 7.257 1.00 0.00 C ATOM 1366 C TYR A 87 -2.613 -6.665 6.686 1.00 0.00 C ATOM 1367 O TYR A 87 -3.448 -6.770 5.786 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.267 -4.879 8.310 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.737 -3.867 9.301 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.631 -2.524 8.960 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -2.343 -4.253 10.576 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.147 -1.595 9.861 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -1.859 -3.331 11.483 1.00 0.00 C ATOM 1374 CZ TYR A 87 -1.763 -2.003 11.122 1.00 0.00 C ATOM 1375 OH TYR A 87 -1.280 -1.082 12.023 1.00 0.00 O ATOM 0 H TYR A 87 -3.058 -4.052 5.783 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.260 -5.377 7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.140 -4.461 7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.604 -5.763 8.851 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.932 -2.201 7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.416 -5.292 10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.070 -0.555 9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.557 -3.648 12.470 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.056 -1.533 12.864 1.00 0.00 H new ATOM 1385 N THR A 88 -1.988 -7.712 7.216 1.00 0.00 N ATOM 1386 CA THR A 88 -2.251 -9.071 6.761 1.00 0.00 C ATOM 1387 C THR A 88 -3.554 -9.604 7.344 1.00 0.00 C ATOM 1388 O THR A 88 -4.003 -9.152 8.398 1.00 0.00 O ATOM 1389 CB THR A 88 -1.103 -10.024 7.144 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.906 -10.009 8.562 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.188 -9.625 6.444 1.00 0.00 C ATOM 0 H THR A 88 -1.295 -7.644 7.962 1.00 0.00 H new ATOM 0 HA THR A 88 -2.332 -9.030 5.675 1.00 0.00 H new ATOM 0 HB THR A 88 -1.375 -11.030 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.204 -10.649 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.984 -10.312 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.044 -9.665 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.462 -8.611 6.736 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.157 -10.566 6.654 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.408 -11.161 7.106 1.00 0.00 C ATOM 1401 C ILE A 89 -5.317 -11.590 8.566 1.00 0.00 C ATOM 1402 O ILE A 89 -6.297 -11.520 9.308 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.794 -12.380 6.247 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -6.428 -11.924 4.931 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.746 -13.287 7.013 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -5.427 -11.732 3.813 1.00 0.00 C ATOM 0 H ILE A 89 -3.799 -10.950 5.779 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.177 -10.396 7.002 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.891 -12.945 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.170 -12.659 4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.958 -10.986 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.010 -14.144 6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.262 -13.635 7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.649 -12.733 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.947 -11.409 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.698 -10.975 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.914 -12.674 3.618 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.133 -12.034 8.974 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.911 -12.472 10.346 1.00 0.00 C ATOM 1420 C LYS A 90 -3.872 -11.281 11.298 1.00 0.00 C ATOM 1421 O LYS A 90 -4.783 -11.090 12.103 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.603 -13.261 10.446 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.658 -14.619 9.768 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.459 -15.619 10.585 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.671 -16.112 11.790 1.00 0.00 C ATOM 1426 NZ LYS A 90 -1.721 -17.199 11.424 1.00 0.00 N ATOM 0 H LYS A 90 -3.312 -12.100 8.373 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.741 -13.118 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.800 -12.674 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.351 -13.399 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.105 -14.515 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.645 -14.995 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.387 -15.156 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.734 -16.466 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.120 -15.280 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.361 -16.474 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.203 -17.508 12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.249 -18.003 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.046 -16.846 10.716 1.00 0.00 H new ATOM 1440 N GLU A 91 -2.813 -10.484 11.199 1.00 0.00 N ATOM 1441 CA GLU A 91 -2.658 -9.311 12.052 1.00 0.00 C ATOM 1442 C GLU A 91 -3.975 -8.550 12.175 1.00 0.00 C ATOM 1443 O GLU A 91 -4.293 -8.006 13.232 1.00 0.00 O ATOM 1444 CB GLU A 91 -1.573 -8.387 11.494 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.160 -8.874 11.768 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.017 -10.374 11.604 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.314 -11.108 12.569 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.392 -10.814 10.509 1.00 0.00 O ATOM 0 H GLU A 91 -2.050 -10.629 10.537 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.361 -9.651 13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.711 -8.286 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.696 -7.394 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.531 -8.371 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.126 -8.594 12.782 1.00 0.00 H new ATOM 1455 N TRP A 92 -4.736 -8.517 11.087 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.019 -7.822 11.073 1.00 0.00 C ATOM 1457 C TRP A 92 -7.078 -8.620 11.826 1.00 0.00 C ATOM 1458 O TRP A 92 -7.797 -8.076 12.664 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.474 -7.579 9.633 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.315 -6.348 9.476 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -8.544 -6.265 8.887 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -6.988 -5.025 9.914 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.001 -4.970 8.932 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -8.065 -4.190 9.557 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -5.891 -4.464 10.574 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -8.074 -2.826 9.838 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -5.901 -3.111 10.851 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -6.987 -2.304 10.485 1.00 0.00 C ATOM 0 H TRP A 92 -4.488 -8.963 10.204 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.890 -6.862 11.573 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.597 -7.495 8.991 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.040 -8.444 9.288 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.079 -7.095 8.450 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -9.893 -4.643 8.560 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.050 -5.078 10.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -8.909 -2.202 9.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -5.057 -2.667 11.358 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -6.965 -1.250 10.718 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.168 -9.911 11.522 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.141 -10.782 12.171 1.00 0.00 C ATOM 1481 C GLU A 93 -8.303 -10.414 13.643 1.00 0.00 C ATOM 1482 O GLU A 93 -9.406 -10.460 14.188 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.714 -12.245 12.044 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.258 -12.932 10.803 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.602 -13.593 11.043 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.340 -13.128 11.936 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.914 -14.575 10.337 1.00 0.00 O ATOM 0 H GLU A 93 -6.580 -10.376 10.831 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.101 -10.647 11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.625 -12.297 12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.048 -12.790 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.355 -12.201 10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.543 -13.683 10.465 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.196 -10.049 14.282 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.235 -9.680 15.685 1.00 0.00 C ATOM 1496 C GLY A 94 -6.086 -8.774 16.078 1.00 0.00 C ATOM 1497 O GLY A 94 -5.324 -9.087 16.994 1.00 0.00 O ATOM 0 H GLY A 94 -6.272 -10.002 13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.179 -9.179 15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.207 -10.582 16.296 1.00 0.00 H new