USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 46 GLN :FLIP amide:sc= 0.217 F(o=-4.3!,f=1.3) USER MOD Set 1.2: A 76 TYR OH : rot -75:sc= 1.12 USER MOD Single : A 9 SER OG : rot -158:sc= -1.03 USER MOD Single : A 19 THR OG1 : rot -114:sc= 0.958 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -3.08! F(o=-4.1,f=-3.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 80:sc= -1.76 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00728 USER MOD Single : A 63 THR OG1 : rot 108:sc= 0.938 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.0275 (180deg=-0.28) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -47:sc= -2! USER MOD Single : A 92 SER OG : rot -176:sc= -0.906 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.44! C(o=-3.2!,f=-2.4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00828 USER MOD Single : A 96 ASN : amide:sc= -4.6! C(o=-4.6!,f=-6.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.115 16.905 -5.056 1.00 0.00 N ATOM 67 CA LEU A 8 4.416 15.962 -4.200 1.00 0.00 C ATOM 68 C LEU A 8 5.381 14.853 -3.776 1.00 0.00 C ATOM 69 O LEU A 8 5.901 14.123 -4.618 1.00 0.00 O ATOM 70 CB LEU A 8 3.152 15.447 -4.891 1.00 0.00 C ATOM 71 CG LEU A 8 2.395 14.335 -4.162 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.850 14.831 -2.821 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.294 13.749 -5.047 1.00 0.00 C ATOM 0 HA LEU A 8 4.075 16.454 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.473 16.287 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.426 15.084 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 8 3.097 13.529 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.316 14.021 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.677 15.161 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.168 15.664 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.772 12.961 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.587 14.534 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.737 13.334 -5.952 1.00 0.00 H new ATOM 85 N SER A 9 5.591 14.762 -2.471 1.00 0.00 N ATOM 86 CA SER A 9 6.484 13.755 -1.925 1.00 0.00 C ATOM 87 C SER A 9 5.732 12.436 -1.736 1.00 0.00 C ATOM 88 O SER A 9 4.532 12.435 -1.465 1.00 0.00 O ATOM 89 CB SER A 9 7.089 14.216 -0.598 1.00 0.00 C ATOM 90 OG SER A 9 8.437 14.654 -0.749 1.00 0.00 O ATOM 0 H SER A 9 5.158 15.370 -1.776 1.00 0.00 H new ATOM 0 HA SER A 9 7.300 13.603 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.488 15.028 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.052 13.398 0.121 1.00 0.00 H new ATOM 0 HG SER A 9 8.895 14.606 0.116 1.00 0.00 H new ATOM 96 N PRO A 10 6.488 11.316 -1.890 1.00 0.00 N ATOM 97 CA PRO A 10 5.905 9.993 -1.739 1.00 0.00 C ATOM 98 C PRO A 10 5.661 9.667 -0.264 1.00 0.00 C ATOM 99 O PRO A 10 6.108 10.397 0.619 1.00 0.00 O ATOM 100 CB PRO A 10 6.896 9.049 -2.399 1.00 0.00 C ATOM 101 CG PRO A 10 8.208 9.813 -2.483 1.00 0.00 C ATOM 102 CD PRO A 10 7.912 11.279 -2.211 1.00 0.00 C ATOM 0 HA PRO A 10 4.924 9.910 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.013 8.135 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.552 8.753 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.922 9.426 -1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.658 9.691 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.514 11.658 -1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.138 11.897 -3.080 1.00 0.00 H new ATOM 110 N PRO A 11 4.932 8.541 -0.038 1.00 0.00 N ATOM 111 CA PRO A 11 4.623 8.109 1.315 1.00 0.00 C ATOM 112 C PRO A 11 5.850 7.492 1.988 1.00 0.00 C ATOM 113 O PRO A 11 6.907 7.371 1.369 1.00 0.00 O ATOM 114 CB PRO A 11 3.473 7.127 1.161 1.00 0.00 C ATOM 115 CG PRO A 11 3.489 6.692 -0.296 1.00 0.00 C ATOM 116 CD PRO A 11 4.386 7.653 -1.059 1.00 0.00 C ATOM 0 HA PRO A 11 4.339 8.936 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.598 6.272 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.523 7.595 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.860 5.671 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.480 6.702 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.178 7.121 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.823 8.210 -1.808 1.00 0.00 H new ATOM 124 N ARG A 12 5.670 7.118 3.246 1.00 0.00 N ATOM 125 CA ARG A 12 6.750 6.516 4.010 1.00 0.00 C ATOM 126 C ARG A 12 6.185 5.590 5.089 1.00 0.00 C ATOM 127 O ARG A 12 4.972 5.522 5.280 1.00 0.00 O ATOM 128 CB ARG A 12 7.620 7.587 4.671 1.00 0.00 C ATOM 129 CG ARG A 12 7.382 8.958 4.033 1.00 0.00 C ATOM 130 CD ARG A 12 8.325 10.008 4.624 1.00 0.00 C ATOM 131 NE ARG A 12 8.152 11.297 3.917 1.00 0.00 N ATOM 132 CZ ARG A 12 8.922 12.375 4.122 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.921 12.325 5.013 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.692 13.502 3.435 1.00 0.00 N ATOM 0 H ARG A 12 4.792 7.220 3.756 1.00 0.00 H new ATOM 0 HA ARG A 12 7.365 5.940 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.397 7.634 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.671 7.316 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.534 8.893 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.347 9.262 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.120 10.136 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.358 9.671 4.537 1.00 0.00 H new ATOM 0 HE ARG A 12 7.400 11.369 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.096 11.467 5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.507 13.145 5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.931 13.539 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.278 14.323 3.591 1.00 0.00 H new ATOM 148 N GLY A 13 7.092 4.901 5.765 1.00 0.00 N ATOM 149 CA GLY A 13 6.699 3.982 6.820 1.00 0.00 C ATOM 150 C GLY A 13 5.808 2.866 6.272 1.00 0.00 C ATOM 151 O GLY A 13 5.210 2.111 7.037 1.00 0.00 O ATOM 0 H GLY A 13 8.097 4.960 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.588 3.550 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.168 4.526 7.601 1.00 0.00 H new ATOM 155 N LEU A 14 5.747 2.797 4.950 1.00 0.00 N ATOM 156 CA LEU A 14 4.938 1.786 4.290 1.00 0.00 C ATOM 157 C LEU A 14 5.335 0.403 4.810 1.00 0.00 C ATOM 158 O LEU A 14 6.309 -0.184 4.343 1.00 0.00 O ATOM 159 CB LEU A 14 5.043 1.924 2.770 1.00 0.00 C ATOM 160 CG LEU A 14 3.843 1.421 1.966 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.297 0.578 0.772 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.862 0.663 2.863 1.00 0.00 C ATOM 0 H LEU A 14 6.244 3.425 4.318 1.00 0.00 H new ATOM 0 HA LEU A 14 3.884 1.927 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.200 2.976 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.930 1.385 2.437 1.00 0.00 H new ATOM 0 HG LEU A 14 3.313 2.285 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.424 0.233 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.927 1.182 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.864 -0.282 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.018 0.316 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.366 -0.193 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.502 1.326 3.650 1.00 0.00 H new ATOM 174 N VAL A 15 4.558 -0.078 5.771 1.00 0.00 N ATOM 175 CA VAL A 15 4.816 -1.381 6.360 1.00 0.00 C ATOM 176 C VAL A 15 3.554 -2.239 6.260 1.00 0.00 C ATOM 177 O VAL A 15 2.479 -1.734 5.938 1.00 0.00 O ATOM 178 CB VAL A 15 5.316 -1.216 7.797 1.00 0.00 C ATOM 179 CG1 VAL A 15 4.157 -0.909 8.748 1.00 0.00 C ATOM 180 CG2 VAL A 15 6.087 -2.455 8.254 1.00 0.00 C ATOM 0 H VAL A 15 3.750 0.412 6.156 1.00 0.00 H new ATOM 0 HA VAL A 15 5.605 -1.898 5.814 1.00 0.00 H new ATOM 0 HB VAL A 15 6.001 -0.368 7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.539 -0.796 9.763 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.668 0.015 8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.437 -1.727 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.431 -2.312 9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.434 -3.327 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.946 -2.611 7.601 1.00 0.00 H new ATOM 190 N ALA A 16 3.725 -3.522 6.542 1.00 0.00 N ATOM 191 CA ALA A 16 2.613 -4.456 6.488 1.00 0.00 C ATOM 192 C ALA A 16 2.588 -5.287 7.772 1.00 0.00 C ATOM 193 O ALA A 16 3.574 -5.330 8.507 1.00 0.00 O ATOM 194 CB ALA A 16 2.734 -5.323 5.234 1.00 0.00 C ATOM 0 H ALA A 16 4.618 -3.937 6.809 1.00 0.00 H new ATOM 0 HA ALA A 16 1.666 -3.921 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.900 -6.023 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.717 -4.687 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.672 -5.877 5.264 1.00 0.00 H new ATOM 200 N VAL A 17 1.452 -5.928 8.003 1.00 0.00 N ATOM 201 CA VAL A 17 1.286 -6.756 9.185 1.00 0.00 C ATOM 202 C VAL A 17 0.186 -7.788 8.929 1.00 0.00 C ATOM 203 O VAL A 17 -0.998 -7.457 8.951 1.00 0.00 O ATOM 204 CB VAL A 17 1.007 -5.876 10.406 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.150 -4.913 10.134 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.732 -6.729 11.645 1.00 0.00 C ATOM 0 H VAL A 17 0.637 -5.891 7.391 1.00 0.00 H new ATOM 0 HA VAL A 17 2.203 -7.304 9.399 1.00 0.00 H new ATOM 0 HB VAL A 17 1.899 -5.281 10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.328 -4.299 11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.102 -4.270 9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.050 -5.482 9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.537 -6.079 12.498 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.137 -7.362 11.465 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.599 -7.354 11.856 1.00 0.00 H new ATOM 216 N ARG A 18 0.617 -9.019 8.693 1.00 0.00 N ATOM 217 CA ARG A 18 -0.316 -10.102 8.433 1.00 0.00 C ATOM 218 C ARG A 18 -1.157 -10.388 9.679 1.00 0.00 C ATOM 219 O ARG A 18 -0.669 -10.271 10.802 1.00 0.00 O ATOM 220 CB ARG A 18 0.421 -11.377 8.020 1.00 0.00 C ATOM 221 CG ARG A 18 -0.396 -12.178 7.004 1.00 0.00 C ATOM 222 CD ARG A 18 -0.990 -13.434 7.647 1.00 0.00 C ATOM 223 NE ARG A 18 -2.309 -13.733 7.046 1.00 0.00 N ATOM 224 CZ ARG A 18 -3.231 -14.523 7.614 1.00 0.00 C ATOM 225 NH1 ARG A 18 -2.983 -15.097 8.799 1.00 0.00 N ATOM 226 NH2 ARG A 18 -4.401 -14.739 6.997 1.00 0.00 N ATOM 0 H ARG A 18 1.600 -9.290 8.676 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.966 -9.791 7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.389 -11.119 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.616 -11.990 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.197 -11.556 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.238 -12.460 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.316 -14.279 7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.095 -13.287 8.722 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.530 -13.312 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.093 -14.933 9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.685 -15.698 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.590 -14.302 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.102 -15.340 7.430 1.00 0.00 H new ATOM 240 N THR A 19 -2.407 -10.757 9.438 1.00 0.00 N ATOM 241 CA THR A 19 -3.320 -11.061 10.527 1.00 0.00 C ATOM 242 C THR A 19 -4.425 -12.005 10.048 1.00 0.00 C ATOM 243 O THR A 19 -4.422 -12.437 8.897 1.00 0.00 O ATOM 244 CB THR A 19 -3.849 -9.738 11.083 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.069 -9.527 10.376 1.00 0.00 O ATOM 246 CG2 THR A 19 -2.977 -8.545 10.686 1.00 0.00 C ATOM 0 H THR A 19 -2.809 -10.852 8.505 1.00 0.00 H new ATOM 0 HA THR A 19 -2.812 -11.589 11.334 1.00 0.00 H new ATOM 0 HB THR A 19 -3.907 -9.799 12.170 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.981 -8.739 9.800 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.397 -7.631 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.967 -8.689 11.069 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.945 -8.463 9.600 1.00 0.00 H new ATOM 254 N PRO A 20 -5.370 -12.303 10.980 1.00 0.00 N ATOM 255 CA PRO A 20 -6.479 -13.187 10.665 1.00 0.00 C ATOM 256 C PRO A 20 -7.516 -12.477 9.792 1.00 0.00 C ATOM 257 O PRO A 20 -8.094 -13.082 8.891 1.00 0.00 O ATOM 258 CB PRO A 20 -7.034 -13.619 12.012 1.00 0.00 C ATOM 259 CG PRO A 20 -6.518 -12.604 13.020 1.00 0.00 C ATOM 260 CD PRO A 20 -5.407 -11.809 12.353 1.00 0.00 C ATOM 0 HA PRO A 20 -6.172 -14.053 10.079 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.124 -13.636 11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.702 -14.626 12.267 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.322 -11.942 13.341 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.145 -13.107 13.912 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.613 -10.739 12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.452 -11.964 12.856 1.00 0.00 H new ATOM 268 N ARG A 21 -7.719 -11.202 10.089 1.00 0.00 N ATOM 269 CA ARG A 21 -8.675 -10.402 9.343 1.00 0.00 C ATOM 270 C ARG A 21 -8.056 -9.925 8.027 1.00 0.00 C ATOM 271 O ARG A 21 -8.772 -9.536 7.106 1.00 0.00 O ATOM 272 CB ARG A 21 -9.130 -9.188 10.154 1.00 0.00 C ATOM 273 CG ARG A 21 -10.009 -9.614 11.333 1.00 0.00 C ATOM 274 CD ARG A 21 -11.450 -9.138 11.142 1.00 0.00 C ATOM 275 NE ARG A 21 -12.091 -8.924 12.459 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.437 -9.913 13.295 1.00 0.00 C ATOM 277 NH1 ARG A 21 -12.205 -11.188 12.957 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.014 -9.625 14.470 1.00 0.00 N ATOM 0 H ARG A 21 -7.237 -10.703 10.837 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.541 -11.030 9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.259 -8.645 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.684 -8.504 9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.991 -10.699 11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.606 -9.203 12.259 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.463 -8.212 10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.013 -9.876 10.570 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.281 -7.965 12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.765 -11.407 12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.468 -11.940 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.190 -8.654 14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.278 -10.377 15.107 1.00 0.00 H new ATOM 292 N GLY A 22 -6.733 -9.970 7.983 1.00 0.00 N ATOM 293 CA GLY A 22 -6.010 -9.547 6.795 1.00 0.00 C ATOM 294 C GLY A 22 -4.718 -8.817 7.171 1.00 0.00 C ATOM 295 O GLY A 22 -4.531 -8.434 8.325 1.00 0.00 O ATOM 0 H GLY A 22 -6.143 -10.293 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.775 -10.415 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.641 -8.891 6.195 1.00 0.00 H new ATOM 299 N VAL A 23 -3.861 -8.647 6.175 1.00 0.00 N ATOM 300 CA VAL A 23 -2.593 -7.970 6.386 1.00 0.00 C ATOM 301 C VAL A 23 -2.817 -6.457 6.356 1.00 0.00 C ATOM 302 O VAL A 23 -3.185 -5.901 5.323 1.00 0.00 O ATOM 303 CB VAL A 23 -1.569 -8.444 5.354 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.012 -9.756 4.703 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.316 -7.366 4.297 1.00 0.00 C ATOM 0 H VAL A 23 -4.020 -8.967 5.219 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.185 -8.219 7.366 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.630 -8.629 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.266 -10.070 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.117 -10.525 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.969 -9.609 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.584 -7.729 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.249 -7.135 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.935 -6.466 4.779 1.00 0.00 H new ATOM 315 N LEU A 24 -2.584 -5.833 7.502 1.00 0.00 N ATOM 316 CA LEU A 24 -2.755 -4.395 7.619 1.00 0.00 C ATOM 317 C LEU A 24 -1.465 -3.695 7.188 1.00 0.00 C ATOM 318 O LEU A 24 -0.370 -4.134 7.537 1.00 0.00 O ATOM 319 CB LEU A 24 -3.213 -4.024 9.031 1.00 0.00 C ATOM 320 CG LEU A 24 -4.378 -3.035 9.120 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.935 -2.971 10.544 1.00 0.00 C ATOM 322 CD2 LEU A 24 -3.967 -1.656 8.602 1.00 0.00 C ATOM 0 H LEU A 24 -2.278 -6.297 8.357 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.544 -4.050 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.498 -4.938 9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.363 -3.603 9.568 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.181 -3.394 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.761 -2.261 10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.291 -3.958 10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.150 -2.648 11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.813 -0.972 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.139 -1.275 9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.656 -1.736 7.560 1.00 0.00 H new ATOM 334 N LEU A 25 -1.637 -2.619 6.434 1.00 0.00 N ATOM 335 CA LEU A 25 -0.499 -1.854 5.951 1.00 0.00 C ATOM 336 C LEU A 25 -0.478 -0.489 6.642 1.00 0.00 C ATOM 337 O LEU A 25 -1.510 0.169 6.758 1.00 0.00 O ATOM 338 CB LEU A 25 -0.520 -1.770 4.424 1.00 0.00 C ATOM 339 CG LEU A 25 -0.651 -3.101 3.680 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.222 -2.890 2.276 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.685 -3.846 3.650 1.00 0.00 C ATOM 0 H LEU A 25 -2.547 -2.259 6.146 1.00 0.00 H new ATOM 0 HA LEU A 25 0.434 -2.356 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.349 -1.127 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.397 -1.281 4.094 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.357 -3.729 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.305 -3.851 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.208 -2.432 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.560 -2.236 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.564 -4.788 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.431 -3.234 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.013 -4.047 4.670 1.00 0.00 H new ATOM 353 N HIS A 26 0.711 -0.104 7.084 1.00 0.00 N ATOM 354 CA HIS A 26 0.881 1.170 7.761 1.00 0.00 C ATOM 355 C HIS A 26 1.877 2.034 6.985 1.00 0.00 C ATOM 356 O HIS A 26 2.977 1.586 6.666 1.00 0.00 O ATOM 357 CB HIS A 26 1.289 0.960 9.220 1.00 0.00 C ATOM 358 CG HIS A 26 0.553 -0.164 9.908 1.00 0.00 C ATOM 359 ND1 HIS A 26 -0.667 -0.718 9.654 1.00 0.00 N flip ATOM 360 CD2 HIS A 26 1.073 -0.846 10.995 1.00 0.00 C flip ATOM 361 CE1 HIS A 26 -0.881 -1.686 10.536 1.00 0.00 C flip ATOM 362 NE2 HIS A 26 0.196 -1.767 11.369 1.00 0.00 N flip ATOM 0 H HIS A 26 1.565 -0.652 6.986 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.069 1.703 7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.359 0.759 9.262 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.117 1.884 9.771 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.030 -0.659 11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.763 -2.307 10.586 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.307 -2.421 12.144 1.00 0.00 H new ATOM 370 N TRP A 27 1.455 3.259 6.704 1.00 0.00 N ATOM 371 CA TRP A 27 2.297 4.190 5.971 1.00 0.00 C ATOM 372 C TRP A 27 2.203 5.553 6.659 1.00 0.00 C ATOM 373 O TRP A 27 1.468 5.712 7.632 1.00 0.00 O ATOM 374 CB TRP A 27 1.904 4.237 4.493 1.00 0.00 C ATOM 375 CG TRP A 27 0.500 4.791 4.240 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.119 6.073 4.169 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.701 4.021 4.024 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.234 6.186 3.925 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.749 4.898 3.834 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.896 2.629 3.990 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.065 4.482 3.597 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.217 2.228 3.753 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.283 3.099 3.560 1.00 0.00 C ATOM 0 H TRP A 27 0.542 3.628 6.970 1.00 0.00 H new ATOM 0 HA TRP A 27 3.337 3.864 5.985 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.628 4.849 3.954 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.967 3.231 4.079 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.787 6.913 4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.760 7.055 3.829 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.091 1.924 4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.868 5.189 3.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.422 1.168 3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.275 2.711 3.382 1.00 0.00 H new ATOM 394 N ASP A 28 2.958 6.503 6.125 1.00 0.00 N ATOM 395 CA ASP A 28 2.969 7.847 6.675 1.00 0.00 C ATOM 396 C ASP A 28 2.619 8.848 5.572 1.00 0.00 C ATOM 397 O ASP A 28 2.846 8.582 4.393 1.00 0.00 O ATOM 398 CB ASP A 28 4.352 8.208 7.219 1.00 0.00 C ATOM 399 CG ASP A 28 4.433 8.347 8.741 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.357 8.285 9.374 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.569 8.512 9.236 1.00 0.00 O ATOM 0 H ASP A 28 3.566 6.368 5.317 1.00 0.00 H new ATOM 0 HA ASP A 28 2.241 7.885 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.062 7.444 6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.670 9.147 6.766 1.00 0.00 H new ATOM 406 N PRO A 29 2.056 10.008 6.006 1.00 0.00 N ATOM 407 CA PRO A 29 1.672 11.050 5.068 1.00 0.00 C ATOM 408 C PRO A 29 2.901 11.799 4.548 1.00 0.00 C ATOM 409 O PRO A 29 3.918 11.882 5.234 1.00 0.00 O ATOM 410 CB PRO A 29 0.716 11.942 5.842 1.00 0.00 C ATOM 411 CG PRO A 29 0.958 11.638 7.311 1.00 0.00 C ATOM 412 CD PRO A 29 1.772 10.357 7.394 1.00 0.00 C ATOM 0 HA PRO A 29 1.191 10.655 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.902 12.994 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.319 11.738 5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.491 12.460 7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.011 11.523 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.691 10.508 7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.215 9.566 7.895 1.00 0.00 H new ATOM 420 N PRO A 30 2.762 12.340 3.308 1.00 0.00 N ATOM 421 CA PRO A 30 3.848 13.080 2.689 1.00 0.00 C ATOM 422 C PRO A 30 3.994 14.468 3.316 1.00 0.00 C ATOM 423 O PRO A 30 3.044 15.250 3.330 1.00 0.00 O ATOM 424 CB PRO A 30 3.497 13.130 1.211 1.00 0.00 C ATOM 425 CG PRO A 30 2.010 12.826 1.125 1.00 0.00 C ATOM 426 CD PRO A 30 1.571 12.262 2.467 1.00 0.00 C ATOM 0 HA PRO A 30 4.818 12.607 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.720 14.110 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.078 12.401 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.449 13.730 0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.812 12.110 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.749 12.840 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.221 11.234 2.370 1.00 0.00 H new ATOM 434 N GLU A 31 5.191 14.732 3.819 1.00 0.00 N ATOM 435 CA GLU A 31 5.473 16.012 4.446 1.00 0.00 C ATOM 436 C GLU A 31 5.692 17.088 3.380 1.00 0.00 C ATOM 437 O GLU A 31 5.595 18.280 3.668 1.00 0.00 O ATOM 438 CB GLU A 31 6.681 15.911 5.380 1.00 0.00 C ATOM 439 CG GLU A 31 7.071 17.287 5.922 1.00 0.00 C ATOM 440 CD GLU A 31 7.374 17.220 7.420 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.330 16.497 7.774 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.643 17.894 8.178 1.00 0.00 O ATOM 0 H GLU A 31 5.976 14.081 3.805 1.00 0.00 H new ATOM 0 HA GLU A 31 4.611 16.297 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.449 15.242 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.524 15.475 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.945 17.658 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.262 17.995 5.742 1.00 0.00 H new ATOM 449 N LEU A 32 5.984 16.629 2.172 1.00 0.00 N ATOM 450 CA LEU A 32 6.218 17.537 1.063 1.00 0.00 C ATOM 451 C LEU A 32 5.097 17.378 0.034 1.00 0.00 C ATOM 452 O LEU A 32 5.263 16.683 -0.967 1.00 0.00 O ATOM 453 CB LEU A 32 7.619 17.326 0.484 1.00 0.00 C ATOM 454 CG LEU A 32 8.729 18.195 1.079 1.00 0.00 C ATOM 455 CD1 LEU A 32 10.003 18.110 0.237 1.00 0.00 C ATOM 456 CD2 LEU A 32 8.257 19.639 1.262 1.00 0.00 C ATOM 0 H LEU A 32 6.064 15.640 1.937 1.00 0.00 H new ATOM 0 HA LEU A 32 6.192 18.571 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.892 16.280 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.578 17.509 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 32 8.972 17.808 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.776 18.737 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.349 17.077 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.794 18.456 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.065 20.235 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.970 20.053 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.400 19.659 1.935 1.00 0.00 H new ATOM 468 N VAL A 33 3.981 18.033 0.316 1.00 0.00 N ATOM 469 CA VAL A 33 2.832 17.973 -0.572 1.00 0.00 C ATOM 470 C VAL A 33 2.574 19.362 -1.159 1.00 0.00 C ATOM 471 O VAL A 33 2.873 20.373 -0.525 1.00 0.00 O ATOM 472 CB VAL A 33 1.623 17.404 0.173 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.844 17.443 1.687 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.342 18.146 -0.213 1.00 0.00 C ATOM 0 H VAL A 33 3.847 18.609 1.147 1.00 0.00 H new ATOM 0 HA VAL A 33 3.029 17.299 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 33 1.508 16.361 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.970 17.033 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.722 16.850 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.997 18.474 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.502 17.722 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.443 19.202 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.171 18.044 -1.285 1.00 0.00 H new ATOM 484 N PRO A 34 2.006 19.368 -2.394 1.00 0.00 N ATOM 485 CA PRO A 34 1.703 20.616 -3.073 1.00 0.00 C ATOM 486 C PRO A 34 0.469 21.286 -2.466 1.00 0.00 C ATOM 487 O PRO A 34 0.388 22.512 -2.410 1.00 0.00 O ATOM 488 CB PRO A 34 1.514 20.235 -4.532 1.00 0.00 C ATOM 489 CG PRO A 34 1.257 18.736 -4.541 1.00 0.00 C ATOM 490 CD PRO A 34 1.638 18.190 -3.175 1.00 0.00 C ATOM 0 HA PRO A 34 2.497 21.355 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.677 20.777 -4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.399 20.483 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.208 18.530 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.843 18.253 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.806 17.655 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.468 17.487 -3.247 1.00 0.00 H new ATOM 498 N LYS A 35 -0.461 20.452 -2.025 1.00 0.00 N ATOM 499 CA LYS A 35 -1.687 20.948 -1.423 1.00 0.00 C ATOM 500 C LYS A 35 -2.334 19.832 -0.601 1.00 0.00 C ATOM 501 O LYS A 35 -1.875 19.517 0.496 1.00 0.00 O ATOM 502 CB LYS A 35 -2.608 21.538 -2.492 1.00 0.00 C ATOM 503 CG LYS A 35 -2.138 22.932 -2.913 1.00 0.00 C ATOM 504 CD LYS A 35 -3.306 23.768 -3.440 1.00 0.00 C ATOM 505 CE LYS A 35 -3.140 24.061 -4.933 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.927 25.254 -5.318 1.00 0.00 N ATOM 0 H LYS A 35 -0.390 19.436 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.470 21.766 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.630 20.880 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.627 21.594 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.679 23.437 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.372 22.844 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.243 23.237 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.367 24.705 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.087 24.223 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.465 23.200 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.803 25.439 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.933 25.086 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.598 26.077 -4.774 1.00 0.00 H new ATOM 520 N ARG A 36 -3.391 19.263 -1.163 1.00 0.00 N ATOM 521 CA ARG A 36 -4.106 18.188 -0.496 1.00 0.00 C ATOM 522 C ARG A 36 -3.944 16.881 -1.274 1.00 0.00 C ATOM 523 O ARG A 36 -3.834 16.892 -2.499 1.00 0.00 O ATOM 524 CB ARG A 36 -5.595 18.516 -0.366 1.00 0.00 C ATOM 525 CG ARG A 36 -6.257 18.616 -1.742 1.00 0.00 C ATOM 526 CD ARG A 36 -7.752 18.305 -1.655 1.00 0.00 C ATOM 527 NE ARG A 36 -8.533 19.397 -2.278 1.00 0.00 N ATOM 528 CZ ARG A 36 -9.794 19.266 -2.713 1.00 0.00 C ATOM 529 NH1 ARG A 36 -10.424 18.089 -2.595 1.00 0.00 N ATOM 530 NH2 ARG A 36 -10.425 20.311 -3.265 1.00 0.00 N ATOM 0 H ARG A 36 -3.769 19.526 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.682 18.075 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.090 17.745 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.718 19.457 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.113 19.618 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.777 17.922 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.965 17.362 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.047 18.185 -0.613 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.083 20.306 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.944 17.293 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.384 17.989 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.946 21.207 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.385 20.211 -3.596 1.00 0.00 H new ATOM 544 N LEU A 37 -3.936 15.784 -0.530 1.00 0.00 N ATOM 545 CA LEU A 37 -3.790 14.471 -1.134 1.00 0.00 C ATOM 546 C LEU A 37 -5.152 13.993 -1.641 1.00 0.00 C ATOM 547 O LEU A 37 -6.100 13.874 -0.866 1.00 0.00 O ATOM 548 CB LEU A 37 -3.124 13.502 -0.155 1.00 0.00 C ATOM 549 CG LEU A 37 -1.920 12.727 -0.693 1.00 0.00 C ATOM 550 CD1 LEU A 37 -0.675 12.989 0.156 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.234 11.233 -0.804 1.00 0.00 C ATOM 0 H LEU A 37 -4.028 15.778 0.486 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.127 14.521 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.806 14.065 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.872 12.784 0.181 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.705 13.087 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.166 12.426 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.441 14.053 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.862 12.675 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.361 10.705 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.490 10.841 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.075 11.087 -1.483 1.00 0.00 H new ATOM 563 N ASP A 38 -5.206 13.733 -2.939 1.00 0.00 N ATOM 564 CA ASP A 38 -6.437 13.271 -3.559 1.00 0.00 C ATOM 565 C ASP A 38 -6.671 11.806 -3.186 1.00 0.00 C ATOM 566 O ASP A 38 -7.795 11.312 -3.273 1.00 0.00 O ATOM 567 CB ASP A 38 -6.354 13.363 -5.084 1.00 0.00 C ATOM 568 CG ASP A 38 -7.139 14.520 -5.705 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.012 15.643 -5.172 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.848 14.255 -6.700 1.00 0.00 O ATOM 0 H ASP A 38 -4.418 13.833 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.252 13.902 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.307 13.459 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.717 12.428 -5.510 1.00 0.00 H new ATOM 575 N GLY A 39 -5.593 11.152 -2.779 1.00 0.00 N ATOM 576 CA GLY A 39 -5.668 9.753 -2.393 1.00 0.00 C ATOM 577 C GLY A 39 -4.411 8.997 -2.827 1.00 0.00 C ATOM 578 O GLY A 39 -3.691 9.442 -3.719 1.00 0.00 O ATOM 0 H GLY A 39 -4.663 11.565 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.788 9.676 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.547 9.294 -2.845 1.00 0.00 H new ATOM 582 N TYR A 40 -4.185 7.865 -2.175 1.00 0.00 N ATOM 583 CA TYR A 40 -3.027 7.043 -2.482 1.00 0.00 C ATOM 584 C TYR A 40 -3.421 5.840 -3.341 1.00 0.00 C ATOM 585 O TYR A 40 -4.600 5.639 -3.631 1.00 0.00 O ATOM 586 CB TYR A 40 -2.497 6.542 -1.137 1.00 0.00 C ATOM 587 CG TYR A 40 -2.067 7.658 -0.183 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.002 8.273 0.625 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.745 8.051 -0.131 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.597 9.324 1.523 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.341 9.101 0.767 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.287 9.686 1.550 1.00 0.00 C ATOM 593 OH TYR A 40 -0.905 10.678 2.398 1.00 0.00 O ATOM 0 H TYR A 40 -4.784 7.498 -1.436 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.285 7.617 -3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.269 5.943 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.647 5.883 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.037 7.966 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.014 7.571 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.318 9.814 2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.690 9.417 0.818 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.809 10.315 3.303 1.00 0.00 H new ATOM 603 N VAL A 41 -2.413 5.071 -3.724 1.00 0.00 N ATOM 604 CA VAL A 41 -2.639 3.893 -4.544 1.00 0.00 C ATOM 605 C VAL A 41 -1.902 2.701 -3.932 1.00 0.00 C ATOM 606 O VAL A 41 -0.682 2.593 -4.050 1.00 0.00 O ATOM 607 CB VAL A 41 -2.224 4.174 -5.990 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.246 2.893 -6.826 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.112 5.252 -6.616 1.00 0.00 C ATOM 0 H VAL A 41 -1.437 5.241 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.700 3.642 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.200 4.548 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.947 3.121 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.554 2.168 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.253 2.476 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.796 5.433 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.150 4.918 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.024 6.174 -6.042 1.00 0.00 H new ATOM 619 N LEU A 42 -2.673 1.835 -3.291 1.00 0.00 N ATOM 620 CA LEU A 42 -2.108 0.654 -2.659 1.00 0.00 C ATOM 621 C LEU A 42 -1.990 -0.466 -3.695 1.00 0.00 C ATOM 622 O LEU A 42 -2.993 -0.905 -4.256 1.00 0.00 O ATOM 623 CB LEU A 42 -2.922 0.266 -1.423 1.00 0.00 C ATOM 624 CG LEU A 42 -2.353 -0.874 -0.577 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.796 -2.234 -1.121 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.831 -0.769 -0.466 1.00 0.00 C ATOM 0 H LEU A 42 -3.684 1.927 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.101 0.861 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.025 1.147 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.925 -0.013 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.755 -0.784 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.378 -3.027 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.884 -2.296 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.442 -2.349 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.453 -1.592 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.389 -0.819 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.565 0.179 0.002 1.00 0.00 H new ATOM 638 N GLU A 43 -0.757 -0.897 -3.916 1.00 0.00 N ATOM 639 CA GLU A 43 -0.496 -1.957 -4.874 1.00 0.00 C ATOM 640 C GLU A 43 -0.013 -3.217 -4.153 1.00 0.00 C ATOM 641 O GLU A 43 0.225 -3.193 -2.946 1.00 0.00 O ATOM 642 CB GLU A 43 0.518 -1.507 -5.928 1.00 0.00 C ATOM 643 CG GLU A 43 -0.179 -1.150 -7.242 1.00 0.00 C ATOM 644 CD GLU A 43 -0.683 0.294 -7.221 1.00 0.00 C ATOM 645 OE1 GLU A 43 -0.742 0.859 -6.108 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.998 0.801 -8.319 1.00 0.00 O ATOM 0 H GLU A 43 0.072 -0.531 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.427 -2.191 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.072 -0.643 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.244 -2.301 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.513 -1.285 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.015 -1.828 -7.410 1.00 0.00 H new ATOM 653 N GLY A 44 0.116 -4.288 -4.922 1.00 0.00 N ATOM 654 CA GLY A 44 0.566 -5.555 -4.371 1.00 0.00 C ATOM 655 C GLY A 44 0.876 -6.558 -5.485 1.00 0.00 C ATOM 656 O GLY A 44 0.524 -6.335 -6.642 1.00 0.00 O ATOM 0 H GLY A 44 -0.083 -4.305 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.456 -5.395 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.201 -5.963 -3.713 1.00 0.00 H new ATOM 660 N ARG A 45 1.533 -7.641 -5.096 1.00 0.00 N ATOM 661 CA ARG A 45 1.895 -8.678 -6.047 1.00 0.00 C ATOM 662 C ARG A 45 2.566 -9.849 -5.325 1.00 0.00 C ATOM 663 O ARG A 45 3.213 -9.660 -4.296 1.00 0.00 O ATOM 664 CB ARG A 45 2.845 -8.137 -7.117 1.00 0.00 C ATOM 665 CG ARG A 45 4.146 -7.632 -6.492 1.00 0.00 C ATOM 666 CD ARG A 45 5.277 -7.607 -7.522 1.00 0.00 C ATOM 667 NE ARG A 45 6.571 -7.363 -6.848 1.00 0.00 N ATOM 668 CZ ARG A 45 7.734 -7.196 -7.492 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.772 -7.246 -8.831 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.860 -6.980 -6.798 1.00 0.00 N ATOM 0 H ARG A 45 1.824 -7.823 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 45 0.979 -9.020 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.066 -8.921 -7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.361 -7.327 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.995 -6.631 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.425 -8.274 -5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.311 -8.554 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.090 -6.828 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 45 6.578 -7.319 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.915 -7.411 -9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.657 -7.119 -9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.832 -6.943 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.745 -6.853 -7.289 1.00 0.00 H new ATOM 684 N GLN A 46 2.389 -11.033 -5.894 1.00 0.00 N ATOM 685 CA GLN A 46 2.968 -12.234 -5.317 1.00 0.00 C ATOM 686 C GLN A 46 4.436 -12.365 -5.729 1.00 0.00 C ATOM 687 O GLN A 46 4.955 -11.527 -6.465 1.00 0.00 O ATOM 688 CB GLN A 46 2.172 -13.476 -5.723 1.00 0.00 C ATOM 689 CG GLN A 46 0.891 -13.599 -4.896 1.00 0.00 C ATOM 690 CD GLN A 46 -0.069 -14.615 -5.520 1.00 0.00 C ATOM 691 OE1 GLN A 46 -1.119 -14.066 -6.125 1.00 0.00 O flip ATOM 692 NE2 GLN A 46 0.131 -15.817 -5.457 1.00 0.00 N flip ATOM 0 H GLN A 46 1.853 -11.186 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 46 2.921 -12.152 -4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.922 -13.422 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.785 -14.367 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.138 -13.904 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.403 -12.627 -4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.958 -16.172 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.529 -16.467 -5.885 1.00 0.00 H new ATOM 736 N GLY A 50 2.906 -9.786 -10.918 1.00 0.00 N ATOM 737 CA GLY A 50 2.492 -8.513 -11.483 1.00 0.00 C ATOM 738 C GLY A 50 1.878 -7.611 -10.410 1.00 0.00 C ATOM 739 O GLY A 50 1.207 -8.093 -9.499 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.350 -8.015 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.767 -8.683 -12.279 1.00 0.00 H new ATOM 743 N TRP A 51 2.130 -6.318 -10.554 1.00 0.00 N ATOM 744 CA TRP A 51 1.610 -5.345 -9.609 1.00 0.00 C ATOM 745 C TRP A 51 0.107 -5.200 -9.857 1.00 0.00 C ATOM 746 O TRP A 51 -0.307 -4.688 -10.896 1.00 0.00 O ATOM 747 CB TRP A 51 2.365 -4.018 -9.717 1.00 0.00 C ATOM 748 CG TRP A 51 3.741 -4.029 -9.050 1.00 0.00 C ATOM 749 CD1 TRP A 51 4.944 -3.988 -9.639 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.009 -4.086 -7.632 1.00 0.00 C ATOM 751 NE1 TRP A 51 5.964 -4.015 -8.709 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.377 -4.076 -7.450 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.125 -4.144 -6.541 1.00 0.00 C ATOM 754 CZ2 TRP A 51 5.983 -4.122 -6.189 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.746 -4.190 -5.287 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.121 -4.180 -5.087 1.00 0.00 C ATOM 0 H TRP A 51 2.687 -5.922 -11.311 1.00 0.00 H new ATOM 0 HA TRP A 51 1.762 -5.684 -8.584 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.485 -3.765 -10.770 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.761 -3.230 -9.267 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.096 -3.940 -10.707 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.964 -3.994 -8.909 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.052 -4.152 -6.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.057 -4.113 -6.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.112 -4.237 -4.414 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.523 -4.217 -4.085 1.00 0.00 H new ATOM 767 N GLU A 52 -0.668 -5.659 -8.886 1.00 0.00 N ATOM 768 CA GLU A 52 -2.116 -5.587 -8.986 1.00 0.00 C ATOM 769 C GLU A 52 -2.660 -4.512 -8.043 1.00 0.00 C ATOM 770 O GLU A 52 -2.548 -4.636 -6.824 1.00 0.00 O ATOM 771 CB GLU A 52 -2.754 -6.946 -8.695 1.00 0.00 C ATOM 772 CG GLU A 52 -2.717 -7.260 -7.198 1.00 0.00 C ATOM 773 CD GLU A 52 -2.924 -8.755 -6.946 1.00 0.00 C ATOM 774 OE1 GLU A 52 -4.025 -9.241 -7.284 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.976 -9.379 -6.421 1.00 0.00 O ATOM 0 H GLU A 52 -0.321 -6.082 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.377 -5.312 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.786 -6.950 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.227 -7.725 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.760 -6.946 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.491 -6.690 -6.684 1.00 0.00 H new ATOM 782 N VAL A 53 -3.238 -3.481 -8.642 1.00 0.00 N ATOM 783 CA VAL A 53 -3.800 -2.386 -7.871 1.00 0.00 C ATOM 784 C VAL A 53 -4.851 -2.935 -6.904 1.00 0.00 C ATOM 785 O VAL A 53 -5.938 -3.329 -7.322 1.00 0.00 O ATOM 786 CB VAL A 53 -4.355 -1.314 -8.811 1.00 0.00 C ATOM 787 CG1 VAL A 53 -5.069 -0.212 -8.026 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.248 -0.731 -9.692 1.00 0.00 C ATOM 0 H VAL A 53 -3.329 -3.381 -9.653 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.027 -1.905 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.088 -1.788 -9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.454 0.537 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.896 -0.644 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.367 0.257 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.669 0.028 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.481 -0.280 -9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.804 -1.525 -10.292 1.00 0.00 H new ATOM 798 N LEU A 54 -4.489 -2.944 -5.629 1.00 0.00 N ATOM 799 CA LEU A 54 -5.387 -3.438 -4.600 1.00 0.00 C ATOM 800 C LEU A 54 -6.451 -2.379 -4.306 1.00 0.00 C ATOM 801 O LEU A 54 -7.630 -2.701 -4.162 1.00 0.00 O ATOM 802 CB LEU A 54 -4.597 -3.875 -3.364 1.00 0.00 C ATOM 803 CG LEU A 54 -3.389 -4.777 -3.625 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.647 -5.090 -2.324 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.803 -6.048 -4.369 1.00 0.00 C ATOM 0 H LEU A 54 -3.586 -2.617 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.910 -4.329 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.253 -2.982 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.276 -4.396 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.695 -4.239 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.793 -5.733 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.298 -4.162 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.320 -5.599 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.925 -6.671 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.528 -6.600 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.251 -5.780 -5.326 1.00 0.00 H new ATOM 817 N ASP A 55 -5.998 -1.137 -4.225 1.00 0.00 N ATOM 818 CA ASP A 55 -6.897 -0.028 -3.951 1.00 0.00 C ATOM 819 C ASP A 55 -6.319 1.253 -4.556 1.00 0.00 C ATOM 820 O ASP A 55 -5.346 1.802 -4.042 1.00 0.00 O ATOM 821 CB ASP A 55 -7.058 0.191 -2.446 1.00 0.00 C ATOM 822 CG ASP A 55 -8.472 0.559 -1.994 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.032 1.503 -2.593 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.962 -0.111 -1.059 1.00 0.00 O ATOM 0 H ASP A 55 -5.020 -0.873 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.868 -0.265 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.752 -0.717 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.376 0.982 -2.134 1.00 0.00 H new ATOM 829 N PRO A 56 -6.959 1.703 -5.669 1.00 0.00 N ATOM 830 CA PRO A 56 -6.519 2.909 -6.349 1.00 0.00 C ATOM 831 C PRO A 56 -6.926 4.159 -5.567 1.00 0.00 C ATOM 832 O PRO A 56 -6.120 5.070 -5.383 1.00 0.00 O ATOM 833 CB PRO A 56 -7.155 2.837 -7.728 1.00 0.00 C ATOM 834 CG PRO A 56 -8.295 1.838 -7.609 1.00 0.00 C ATOM 835 CD PRO A 56 -8.114 1.077 -6.305 1.00 0.00 C ATOM 0 HA PRO A 56 -5.434 2.975 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.523 3.814 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.430 2.516 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.256 2.352 -7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.291 1.151 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.001 1.152 -5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.940 0.016 -6.486 1.00 0.00 H new ATOM 843 N ALA A 57 -8.176 4.163 -5.128 1.00 0.00 N ATOM 844 CA ALA A 57 -8.700 5.286 -4.370 1.00 0.00 C ATOM 845 C ALA A 57 -8.506 5.023 -2.876 1.00 0.00 C ATOM 846 O ALA A 57 -9.234 4.229 -2.282 1.00 0.00 O ATOM 847 CB ALA A 57 -10.169 5.509 -4.737 1.00 0.00 C ATOM 0 H ALA A 57 -8.842 3.406 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.160 6.200 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.562 6.352 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.249 5.722 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.743 4.613 -4.501 1.00 0.00 H new ATOM 853 N VAL A 58 -7.519 5.703 -2.311 1.00 0.00 N ATOM 854 CA VAL A 58 -7.219 5.552 -0.897 1.00 0.00 C ATOM 855 C VAL A 58 -7.211 6.930 -0.232 1.00 0.00 C ATOM 856 O VAL A 58 -6.450 7.811 -0.630 1.00 0.00 O ATOM 857 CB VAL A 58 -5.902 4.794 -0.719 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.571 4.612 0.763 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.943 3.446 -1.442 1.00 0.00 C ATOM 0 H VAL A 58 -6.917 6.360 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.989 4.958 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.108 5.391 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.630 4.070 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.479 5.589 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.368 4.047 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.995 2.928 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.753 2.840 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.111 3.609 -2.507 1.00 0.00 H new ATOM 869 N ALA A 59 -8.066 7.074 0.770 1.00 0.00 N ATOM 870 CA ALA A 59 -8.166 8.330 1.493 1.00 0.00 C ATOM 871 C ALA A 59 -6.792 9.001 1.534 1.00 0.00 C ATOM 872 O ALA A 59 -5.805 8.380 1.924 1.00 0.00 O ATOM 873 CB ALA A 59 -8.729 8.069 2.892 1.00 0.00 C ATOM 0 H ALA A 59 -8.696 6.342 1.098 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.850 9.011 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.804 9.011 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.718 7.618 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.066 7.392 3.430 1.00 0.00 H new ATOM 879 N GLY A 60 -6.772 10.261 1.125 1.00 0.00 N ATOM 880 CA GLY A 60 -5.536 11.024 1.109 1.00 0.00 C ATOM 881 C GLY A 60 -5.081 11.361 2.531 1.00 0.00 C ATOM 882 O GLY A 60 -4.019 11.951 2.723 1.00 0.00 O ATOM 0 H GLY A 60 -7.593 10.773 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.759 10.454 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.679 11.944 0.542 1.00 0.00 H new ATOM 886 N THR A 61 -5.908 10.972 3.490 1.00 0.00 N ATOM 887 CA THR A 61 -5.605 11.225 4.888 1.00 0.00 C ATOM 888 C THR A 61 -5.291 9.914 5.612 1.00 0.00 C ATOM 889 O THR A 61 -4.706 9.923 6.694 1.00 0.00 O ATOM 890 CB THR A 61 -6.783 11.988 5.497 1.00 0.00 C ATOM 891 OG1 THR A 61 -7.903 11.137 5.269 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.120 13.262 4.720 1.00 0.00 C ATOM 0 H THR A 61 -6.788 10.483 3.326 1.00 0.00 H new ATOM 0 HA THR A 61 -4.711 11.840 4.993 1.00 0.00 H new ATOM 0 HB THR A 61 -6.554 12.243 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.711 11.554 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.963 13.765 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.256 13.926 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.382 13.004 3.694 1.00 0.00 H new ATOM 900 N GLU A 62 -5.693 8.818 4.985 1.00 0.00 N ATOM 901 CA GLU A 62 -5.462 7.502 5.555 1.00 0.00 C ATOM 902 C GLU A 62 -3.966 7.278 5.783 1.00 0.00 C ATOM 903 O GLU A 62 -3.134 7.955 5.180 1.00 0.00 O ATOM 904 CB GLU A 62 -6.052 6.407 4.665 1.00 0.00 C ATOM 905 CG GLU A 62 -7.450 6.007 5.140 1.00 0.00 C ATOM 906 CD GLU A 62 -7.377 4.872 6.164 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.120 5.189 7.345 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.580 3.713 5.741 1.00 0.00 O ATOM 0 H GLU A 62 -6.177 8.815 4.087 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.968 7.451 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.101 6.759 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.398 5.535 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.948 6.870 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.052 5.694 4.287 1.00 0.00 H new ATOM 915 N THR A 63 -3.669 6.324 6.654 1.00 0.00 N ATOM 916 CA THR A 63 -2.287 6.002 6.968 1.00 0.00 C ATOM 917 C THR A 63 -2.092 4.486 7.020 1.00 0.00 C ATOM 918 O THR A 63 -1.043 4.005 7.446 1.00 0.00 O ATOM 919 CB THR A 63 -1.923 6.707 8.276 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.010 6.406 9.147 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.959 8.232 8.149 1.00 0.00 C ATOM 0 H THR A 63 -4.361 5.764 7.152 1.00 0.00 H new ATOM 0 HA THR A 63 -1.611 6.359 6.191 1.00 0.00 H new ATOM 0 HB THR A 63 -0.929 6.392 8.593 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.716 5.764 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.693 8.683 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.248 8.551 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.962 8.550 7.864 1.00 0.00 H new ATOM 929 N GLU A 64 -3.120 3.773 6.582 1.00 0.00 N ATOM 930 CA GLU A 64 -3.074 2.321 6.573 1.00 0.00 C ATOM 931 C GLU A 64 -4.247 1.758 5.767 1.00 0.00 C ATOM 932 O GLU A 64 -5.158 2.495 5.393 1.00 0.00 O ATOM 933 CB GLU A 64 -3.072 1.764 7.998 1.00 0.00 C ATOM 934 CG GLU A 64 -4.001 2.574 8.905 1.00 0.00 C ATOM 935 CD GLU A 64 -3.210 3.284 10.006 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.180 2.713 10.423 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.655 4.382 10.406 1.00 0.00 O ATOM 0 H GLU A 64 -3.990 4.174 6.231 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.146 2.009 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.389 0.721 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.059 1.784 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.545 3.309 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.744 1.914 9.354 1.00 0.00 H new ATOM 944 N LEU A 65 -4.184 0.458 5.522 1.00 0.00 N ATOM 945 CA LEU A 65 -5.229 -0.212 4.767 1.00 0.00 C ATOM 946 C LEU A 65 -5.093 -1.726 4.948 1.00 0.00 C ATOM 947 O LEU A 65 -3.989 -2.235 5.137 1.00 0.00 O ATOM 948 CB LEU A 65 -5.205 0.237 3.304 1.00 0.00 C ATOM 949 CG LEU A 65 -5.961 -0.654 2.316 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.433 -0.247 2.225 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.280 -0.654 0.946 1.00 0.00 C ATOM 0 H LEU A 65 -3.426 -0.149 5.833 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.212 0.068 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.621 1.243 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.166 0.302 2.982 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.933 -1.678 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.947 -0.896 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.898 -0.341 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.504 0.787 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.837 -1.295 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.255 0.362 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.261 -1.029 1.046 1.00 0.00 H new ATOM 963 N LEU A 66 -6.230 -2.402 4.883 1.00 0.00 N ATOM 964 CA LEU A 66 -6.252 -3.847 5.037 1.00 0.00 C ATOM 965 C LEU A 66 -6.258 -4.503 3.655 1.00 0.00 C ATOM 966 O LEU A 66 -6.893 -4.000 2.728 1.00 0.00 O ATOM 967 CB LEU A 66 -7.421 -4.273 5.926 1.00 0.00 C ATOM 968 CG LEU A 66 -7.337 -5.683 6.515 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.769 -5.651 7.935 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.695 -6.384 6.456 1.00 0.00 C ATOM 0 H LEU A 66 -7.143 -1.976 4.726 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.352 -4.190 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.505 -3.562 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.340 -4.198 5.345 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.647 -6.267 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.720 -6.666 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.768 -5.220 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.414 -5.045 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.607 -7.384 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.426 -5.810 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.022 -6.458 5.419 1.00 0.00 H new ATOM 982 N VAL A 67 -5.545 -5.615 3.559 1.00 0.00 N ATOM 983 CA VAL A 67 -5.461 -6.345 2.306 1.00 0.00 C ATOM 984 C VAL A 67 -5.440 -7.848 2.596 1.00 0.00 C ATOM 985 O VAL A 67 -4.387 -8.480 2.536 1.00 0.00 O ATOM 986 CB VAL A 67 -4.245 -5.874 1.506 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.005 -6.773 0.292 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.401 -4.412 1.083 1.00 0.00 C ATOM 0 H VAL A 67 -5.020 -6.029 4.329 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.337 -6.145 1.689 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.371 -5.945 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.135 -6.416 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.829 -7.796 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.880 -6.749 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.523 -4.102 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.291 -4.306 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.500 -3.785 1.969 1.00 0.00 H new ATOM 998 N PRO A 68 -6.647 -8.389 2.912 1.00 0.00 N ATOM 999 CA PRO A 68 -6.777 -9.805 3.212 1.00 0.00 C ATOM 1000 C PRO A 68 -6.696 -10.645 1.935 1.00 0.00 C ATOM 1001 O PRO A 68 -6.624 -11.871 1.999 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.113 -9.935 3.924 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.890 -8.673 3.587 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.915 -7.670 2.993 1.00 0.00 C ATOM 0 HA PRO A 68 -5.968 -10.178 3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.648 -10.824 3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.974 -10.032 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.689 -8.894 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.361 -8.264 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.243 -7.334 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.828 -6.783 3.621 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.709 -9.951 0.807 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.638 -10.618 -0.482 1.00 0.00 C ATOM 1014 C GLY A 69 -5.231 -11.161 -0.742 1.00 0.00 C ATOM 1015 O GLY A 69 -4.629 -10.868 -1.773 1.00 0.00 O ATOM 0 H GLY A 69 -6.768 -8.934 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.358 -11.435 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.914 -9.920 -1.272 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.748 -11.943 0.213 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.424 -12.530 0.101 1.00 0.00 C ATOM 1021 C LEU A 70 -3.549 -14.054 0.052 1.00 0.00 C ATOM 1022 O LEU A 70 -4.557 -14.612 0.481 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.516 -12.023 1.223 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.261 -10.515 1.250 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.930 -10.196 1.933 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.340 -9.921 -0.158 1.00 0.00 C ATOM 0 H LEU A 70 -5.250 -12.183 1.068 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.947 -12.219 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.954 -12.314 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.556 -12.532 1.144 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.047 -10.046 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.773 -9.117 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.950 -10.565 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.117 -10.678 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.155 -8.848 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.590 -10.391 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.332 -10.100 -0.573 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.509 -14.685 -0.475 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.489 -16.133 -0.585 1.00 0.00 C ATOM 1040 C ILE A 71 -1.533 -16.708 0.462 1.00 0.00 C ATOM 1041 O ILE A 71 -0.807 -15.963 1.119 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.159 -16.557 -2.018 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -2.924 -15.704 -3.032 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.413 -18.052 -2.220 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.242 -16.372 -3.428 1.00 0.00 C ATOM 0 H ILE A 71 -1.674 -14.219 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.476 -16.544 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.096 -16.385 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.124 -14.720 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.310 -15.549 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.171 -18.327 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.788 -18.623 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.462 -18.273 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.766 -15.745 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.037 -17.345 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.864 -16.503 -2.542 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.564 -18.026 0.585 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.709 -18.709 1.541 1.00 0.00 C ATOM 1059 C LYS A 72 0.453 -19.372 0.798 1.00 0.00 C ATOM 1060 O LYS A 72 0.308 -19.772 -0.356 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.527 -19.681 2.394 1.00 0.00 C ATOM 1062 CG LYS A 72 -1.828 -20.967 1.622 1.00 0.00 C ATOM 1063 CD LYS A 72 -1.297 -22.192 2.370 1.00 0.00 C ATOM 1064 CE LYS A 72 -2.334 -22.722 3.362 1.00 0.00 C ATOM 1065 NZ LYS A 72 -3.456 -23.367 2.643 1.00 0.00 N ATOM 0 H LYS A 72 -2.168 -18.640 0.038 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.275 -17.995 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.980 -19.920 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.461 -19.207 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.904 -21.064 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.374 -20.916 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.039 -22.974 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.382 -21.930 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.867 -23.439 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.710 -21.904 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.943 -24.028 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.126 -22.640 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.088 -23.887 1.821 1.00 0.00 H new ATOM 1079 N ASP A 73 1.579 -19.466 1.489 1.00 0.00 N ATOM 1080 CA ASP A 73 2.765 -20.073 0.909 1.00 0.00 C ATOM 1081 C ASP A 73 3.360 -19.124 -0.134 1.00 0.00 C ATOM 1082 O ASP A 73 4.284 -19.493 -0.858 1.00 0.00 O ATOM 1083 CB ASP A 73 2.423 -21.390 0.209 1.00 0.00 C ATOM 1084 CG ASP A 73 3.574 -22.395 0.124 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.266 -22.553 1.152 1.00 0.00 O ATOM 1086 OD2 ASP A 73 3.735 -22.982 -0.968 1.00 0.00 O ATOM 0 H ASP A 73 1.695 -19.132 2.446 1.00 0.00 H new ATOM 0 HA ASP A 73 3.474 -20.266 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.590 -21.858 0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.079 -21.168 -0.801 1.00 0.00 H new ATOM 1091 N VAL A 74 2.807 -17.921 -0.177 1.00 0.00 N ATOM 1092 CA VAL A 74 3.271 -16.917 -1.118 1.00 0.00 C ATOM 1093 C VAL A 74 3.731 -15.677 -0.349 1.00 0.00 C ATOM 1094 O VAL A 74 3.519 -15.577 0.858 1.00 0.00 O ATOM 1095 CB VAL A 74 2.176 -16.613 -2.142 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.574 -17.904 -2.701 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.091 -15.721 -1.536 1.00 0.00 C ATOM 0 H VAL A 74 2.041 -17.619 0.425 1.00 0.00 H new ATOM 0 HA VAL A 74 4.128 -17.288 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 74 2.633 -16.070 -2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.798 -17.659 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.355 -18.489 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.140 -18.485 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.325 -15.520 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.640 -16.226 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.534 -14.780 -1.209 1.00 0.00 H new ATOM 1107 N LEU A 75 4.353 -14.764 -1.080 1.00 0.00 N ATOM 1108 CA LEU A 75 4.845 -13.534 -0.482 1.00 0.00 C ATOM 1109 C LEU A 75 4.316 -12.338 -1.275 1.00 0.00 C ATOM 1110 O LEU A 75 4.906 -11.945 -2.280 1.00 0.00 O ATOM 1111 CB LEU A 75 6.370 -13.568 -0.365 1.00 0.00 C ATOM 1112 CG LEU A 75 6.986 -12.618 0.664 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.123 -11.366 0.839 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.233 -13.334 1.993 1.00 0.00 C ATOM 0 H LEU A 75 4.528 -14.851 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 75 4.472 -13.431 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.673 -14.585 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.795 -13.338 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 75 7.956 -12.291 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.583 -10.707 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.042 -10.844 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.129 -11.654 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.671 -12.636 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.288 -13.709 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.916 -14.168 1.835 1.00 0.00 H new ATOM 1126 N TYR A 76 3.208 -11.794 -0.795 1.00 0.00 N ATOM 1127 CA TYR A 76 2.592 -10.651 -1.447 1.00 0.00 C ATOM 1128 C TYR A 76 3.286 -9.349 -1.042 1.00 0.00 C ATOM 1129 O TYR A 76 3.543 -9.119 0.139 1.00 0.00 O ATOM 1130 CB TYR A 76 1.143 -10.616 -0.957 1.00 0.00 C ATOM 1131 CG TYR A 76 0.132 -11.170 -1.963 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.049 -12.533 -2.079 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.598 -10.306 -2.754 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.001 -13.054 -3.026 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.549 -10.827 -3.701 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.704 -12.176 -3.790 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.602 -12.668 -4.685 1.00 0.00 O ATOM 0 H TYR A 76 2.720 -12.124 0.038 1.00 0.00 H new ATOM 0 HA TYR A 76 2.665 -10.742 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.069 -11.187 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.876 -9.587 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.523 -13.209 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.456 -9.239 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.153 -14.118 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.126 -10.162 -4.327 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.125 -13.045 -5.454 1.00 0.00 H new ATOM 1147 N GLU A 77 3.570 -8.530 -2.045 1.00 0.00 N ATOM 1148 CA GLU A 77 4.230 -7.258 -1.808 1.00 0.00 C ATOM 1149 C GLU A 77 3.200 -6.127 -1.760 1.00 0.00 C ATOM 1150 O GLU A 77 2.000 -6.371 -1.869 1.00 0.00 O ATOM 1151 CB GLU A 77 5.294 -6.985 -2.873 1.00 0.00 C ATOM 1152 CG GLU A 77 6.645 -7.574 -2.461 1.00 0.00 C ATOM 1153 CD GLU A 77 7.436 -8.039 -3.685 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.976 -9.009 -4.324 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.484 -7.412 -3.955 1.00 0.00 O ATOM 0 H GLU A 77 3.355 -8.723 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 77 4.734 -7.307 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.980 -7.415 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.393 -5.910 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.220 -6.827 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.488 -8.414 -1.784 1.00 0.00 H new ATOM 1162 N PHE A 78 3.708 -4.914 -1.596 1.00 0.00 N ATOM 1163 CA PHE A 78 2.847 -3.745 -1.532 1.00 0.00 C ATOM 1164 C PHE A 78 3.641 -2.465 -1.797 1.00 0.00 C ATOM 1165 O PHE A 78 4.861 -2.444 -1.644 1.00 0.00 O ATOM 1166 CB PHE A 78 2.271 -3.690 -0.115 1.00 0.00 C ATOM 1167 CG PHE A 78 1.394 -4.891 0.247 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.165 -5.030 -0.319 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.843 -5.818 1.135 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.649 -6.144 0.017 1.00 0.00 C ATOM 1171 CE2 PHE A 78 1.029 -6.932 1.471 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.200 -7.071 0.905 1.00 0.00 C ATOM 0 H PHE A 78 4.704 -4.716 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 78 2.064 -3.818 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.093 -3.625 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.683 -2.778 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.192 -4.293 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.819 -5.707 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.625 -6.255 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.386 -7.669 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.819 -7.918 1.161 1.00 0.00 H new ATOM 1182 N ARG A 79 2.916 -1.427 -2.190 1.00 0.00 N ATOM 1183 CA ARG A 79 3.537 -0.146 -2.477 1.00 0.00 C ATOM 1184 C ARG A 79 2.475 0.952 -2.563 1.00 0.00 C ATOM 1185 O ARG A 79 1.476 0.801 -3.265 1.00 0.00 O ATOM 1186 CB ARG A 79 4.317 -0.195 -3.793 1.00 0.00 C ATOM 1187 CG ARG A 79 3.381 -0.446 -4.976 1.00 0.00 C ATOM 1188 CD ARG A 79 4.175 -0.674 -6.264 1.00 0.00 C ATOM 1189 NE ARG A 79 3.588 0.119 -7.367 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.044 0.106 -8.627 1.00 0.00 C ATOM 1191 NH1 ARG A 79 5.095 -0.660 -8.952 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.449 0.858 -9.563 1.00 0.00 N ATOM 0 H ARG A 79 1.904 -1.448 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 79 4.229 0.076 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.850 0.745 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.068 -0.983 -3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.755 -1.315 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.712 0.406 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.216 -0.389 -6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.168 -1.733 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 79 2.786 0.713 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.548 -1.233 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.442 -0.670 -9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.649 1.441 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.796 0.848 -10.522 1.00 0.00 H new ATOM 1206 N LEU A 80 2.726 2.032 -1.839 1.00 0.00 N ATOM 1207 CA LEU A 80 1.804 3.155 -1.824 1.00 0.00 C ATOM 1208 C LEU A 80 2.353 4.273 -2.713 1.00 0.00 C ATOM 1209 O LEU A 80 3.565 4.469 -2.791 1.00 0.00 O ATOM 1210 CB LEU A 80 1.519 3.596 -0.387 1.00 0.00 C ATOM 1211 CG LEU A 80 0.103 4.105 -0.110 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.945 3.141 -0.669 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.102 4.370 1.383 1.00 0.00 C ATOM 0 H LEU A 80 3.555 2.154 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 80 0.840 2.861 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.717 2.754 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.225 4.383 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.025 5.056 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.943 3.526 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.813 3.045 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.827 2.164 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.116 4.731 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.053 3.447 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.612 5.122 1.720 1.00 0.00 H new ATOM 1225 N VAL A 81 1.436 4.976 -3.359 1.00 0.00 N ATOM 1226 CA VAL A 81 1.813 6.069 -4.239 1.00 0.00 C ATOM 1227 C VAL A 81 0.850 7.240 -4.034 1.00 0.00 C ATOM 1228 O VAL A 81 -0.297 7.190 -4.476 1.00 0.00 O ATOM 1229 CB VAL A 81 1.860 5.581 -5.689 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.974 6.758 -6.660 1.00 0.00 C ATOM 1231 CG2 VAL A 81 3.005 4.587 -5.896 1.00 0.00 C ATOM 0 H VAL A 81 0.432 4.810 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 81 2.814 6.426 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 81 0.924 5.063 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.006 6.384 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.112 7.414 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.886 7.316 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.016 4.256 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.953 5.070 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.862 3.727 -5.242 1.00 0.00 H new ATOM 1241 N ALA A 82 1.352 8.266 -3.362 1.00 0.00 N ATOM 1242 CA ALA A 82 0.550 9.447 -3.092 1.00 0.00 C ATOM 1243 C ALA A 82 0.404 10.264 -4.378 1.00 0.00 C ATOM 1244 O ALA A 82 1.374 10.456 -5.109 1.00 0.00 O ATOM 1245 CB ALA A 82 1.191 10.252 -1.960 1.00 0.00 C ATOM 0 H ALA A 82 2.304 8.304 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.451 9.165 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.589 11.138 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.245 9.637 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.196 10.555 -2.253 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.817 10.722 -4.615 1.00 0.00 N ATOM 1252 CA PHE A 83 -1.103 11.513 -5.800 1.00 0.00 C ATOM 1253 C PHE A 83 -2.154 12.584 -5.503 1.00 0.00 C ATOM 1254 O PHE A 83 -3.182 12.298 -4.892 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.654 10.553 -6.856 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.984 9.902 -6.472 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.138 10.617 -6.546 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.011 8.607 -6.056 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.372 10.012 -6.189 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.246 8.002 -5.699 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.400 8.718 -5.773 1.00 0.00 C ATOM 0 H PHE A 83 -1.619 10.560 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.197 12.015 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.784 11.095 -7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.918 9.770 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.116 11.645 -6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.094 8.039 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.289 10.580 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.268 6.974 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.339 8.258 -5.501 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.859 13.796 -5.950 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.766 14.912 -5.740 1.00 0.00 C ATOM 1273 C ALA A 84 -3.204 15.470 -7.096 1.00 0.00 C ATOM 1274 O ALA A 84 -2.422 16.125 -7.783 1.00 0.00 O ATOM 1275 CB ALA A 84 -2.083 15.968 -4.868 1.00 0.00 C ATOM 0 H ALA A 84 -1.005 14.030 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.662 14.584 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.763 16.805 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.818 15.530 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.180 16.323 -5.366 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.452 15.189 -7.440 1.00 0.00 N ATOM 1282 CA GLY A 85 -5.003 15.655 -8.701 1.00 0.00 C ATOM 1283 C GLY A 85 -4.267 15.027 -9.886 1.00 0.00 C ATOM 1284 O GLY A 85 -4.305 13.812 -10.073 1.00 0.00 O ATOM 0 H GLY A 85 -5.097 14.645 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.063 15.406 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.928 16.741 -8.756 1.00 0.00 H new ATOM 1288 N SER A 86 -3.613 15.884 -10.657 1.00 0.00 N ATOM 1289 CA SER A 86 -2.868 15.429 -11.818 1.00 0.00 C ATOM 1290 C SER A 86 -1.411 15.163 -11.435 1.00 0.00 C ATOM 1291 O SER A 86 -0.537 15.112 -12.299 1.00 0.00 O ATOM 1292 CB SER A 86 -2.939 16.453 -12.954 1.00 0.00 C ATOM 1293 OG SER A 86 -3.763 16.003 -14.026 1.00 0.00 O ATOM 0 H SER A 86 -3.584 16.891 -10.500 1.00 0.00 H new ATOM 0 HA SER A 86 -3.319 14.502 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.328 17.396 -12.569 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.934 16.651 -13.327 1.00 0.00 H new ATOM 0 HG SER A 86 -3.784 16.684 -14.730 1.00 0.00 H new ATOM 1299 N PHE A 87 -1.194 15.000 -10.138 1.00 0.00 N ATOM 1300 CA PHE A 87 0.142 14.740 -9.630 1.00 0.00 C ATOM 1301 C PHE A 87 0.239 13.331 -9.040 1.00 0.00 C ATOM 1302 O PHE A 87 -0.690 12.863 -8.384 1.00 0.00 O ATOM 1303 CB PHE A 87 0.406 15.763 -8.523 1.00 0.00 C ATOM 1304 CG PHE A 87 0.363 17.217 -8.997 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.789 17.734 -9.501 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.478 17.992 -8.914 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.829 19.084 -9.941 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.438 19.342 -9.354 1.00 0.00 C ATOM 1309 CZ PHE A 87 0.285 19.859 -9.858 1.00 0.00 C ATOM 0 H PHE A 87 -1.921 15.043 -9.424 1.00 0.00 H new ATOM 0 HA PHE A 87 0.870 14.818 -10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.333 15.627 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.383 15.564 -8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.674 17.118 -9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.393 17.581 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.744 19.495 -10.341 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.323 19.958 -9.288 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.255 20.885 -10.192 1.00 0.00 H new ATOM 1319 N VAL A 88 1.374 12.696 -9.293 1.00 0.00 N ATOM 1320 CA VAL A 88 1.605 11.350 -8.796 1.00 0.00 C ATOM 1321 C VAL A 88 2.971 11.293 -8.109 1.00 0.00 C ATOM 1322 O VAL A 88 3.942 11.867 -8.600 1.00 0.00 O ATOM 1323 CB VAL A 88 1.467 10.339 -9.936 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.216 9.045 -9.615 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -0.005 10.059 -10.244 1.00 0.00 C ATOM 0 H VAL A 88 2.143 13.088 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 88 0.854 11.084 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 88 1.919 10.775 -10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.102 8.344 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.274 9.264 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.807 8.604 -8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.076 9.337 -11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.492 9.654 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.498 10.986 -10.537 1.00 0.00 H new ATOM 1335 N SER A 89 3.002 10.596 -6.982 1.00 0.00 N ATOM 1336 CA SER A 89 4.233 10.456 -6.223 1.00 0.00 C ATOM 1337 C SER A 89 4.835 9.069 -6.452 1.00 0.00 C ATOM 1338 O SER A 89 4.168 8.177 -6.975 1.00 0.00 O ATOM 1339 CB SER A 89 3.988 10.689 -4.730 1.00 0.00 C ATOM 1340 OG SER A 89 3.358 9.571 -4.112 1.00 0.00 O ATOM 0 H SER A 89 2.195 10.123 -6.577 1.00 0.00 H new ATOM 0 HA SER A 89 4.937 11.212 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.937 10.890 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.366 11.574 -4.598 1.00 0.00 H new ATOM 0 HG SER A 89 2.605 9.274 -4.664 1.00 0.00 H new ATOM 1346 N ASP A 90 6.089 8.929 -6.048 1.00 0.00 N ATOM 1347 CA ASP A 90 6.788 7.664 -6.203 1.00 0.00 C ATOM 1348 C ASP A 90 6.214 6.645 -5.218 1.00 0.00 C ATOM 1349 O ASP A 90 5.649 7.018 -4.191 1.00 0.00 O ATOM 1350 CB ASP A 90 8.281 7.820 -5.905 1.00 0.00 C ATOM 1351 CG ASP A 90 9.133 8.278 -7.091 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.748 9.295 -7.707 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.149 7.599 -7.354 1.00 0.00 O ATOM 0 H ASP A 90 6.639 9.670 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 90 6.658 7.331 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.401 8.537 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.666 6.865 -5.547 1.00 0.00 H new ATOM 1358 N PRO A 91 6.382 5.343 -5.575 1.00 0.00 N ATOM 1359 CA PRO A 91 5.886 4.267 -4.734 1.00 0.00 C ATOM 1360 C PRO A 91 6.774 4.080 -3.502 1.00 0.00 C ATOM 1361 O PRO A 91 7.879 3.548 -3.604 1.00 0.00 O ATOM 1362 CB PRO A 91 5.857 3.044 -5.636 1.00 0.00 C ATOM 1363 CG PRO A 91 6.769 3.369 -6.808 1.00 0.00 C ATOM 1364 CD PRO A 91 7.045 4.863 -6.783 1.00 0.00 C ATOM 0 HA PRO A 91 4.894 4.472 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.205 2.158 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.843 2.834 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.700 2.807 -6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.298 3.083 -7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.115 5.067 -6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.650 5.353 -7.673 1.00 0.00 H new ATOM 1372 N SER A 92 6.258 4.527 -2.367 1.00 0.00 N ATOM 1373 CA SER A 92 6.991 4.415 -1.117 1.00 0.00 C ATOM 1374 C SER A 92 7.622 3.026 -1.002 1.00 0.00 C ATOM 1375 O SER A 92 7.295 2.127 -1.775 1.00 0.00 O ATOM 1376 CB SER A 92 6.079 4.685 0.082 1.00 0.00 C ATOM 1377 OG SER A 92 4.944 3.823 0.094 1.00 0.00 O ATOM 0 H SER A 92 5.341 4.967 -2.286 1.00 0.00 H new ATOM 0 HA SER A 92 7.781 5.166 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.644 4.553 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.746 5.723 0.058 1.00 0.00 H new ATOM 0 HG SER A 92 4.355 4.068 0.838 1.00 0.00 H new ATOM 1383 N ASN A 93 8.514 2.895 -0.032 1.00 0.00 N ATOM 1384 CA ASN A 93 9.194 1.631 0.194 1.00 0.00 C ATOM 1385 C ASN A 93 8.201 0.482 0.004 1.00 0.00 C ATOM 1386 O ASN A 93 7.014 0.630 0.288 1.00 0.00 O ATOM 1387 CB ASN A 93 9.745 1.549 1.619 1.00 0.00 C ATOM 1388 CG ASN A 93 8.866 2.336 2.593 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.093 1.574 3.361 1.00 0.00 O flip ATOM 1390 ND2 ASN A 93 8.889 3.555 2.644 1.00 0.00 N flip ATOM 0 H ASN A 93 8.782 3.644 0.607 1.00 0.00 H new ATOM 0 HA ASN A 93 10.018 1.560 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.798 0.506 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.762 1.941 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.507 4.080 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.290 4.049 3.306 1.00 0.00 H new ATOM 1397 N THR A 94 8.725 -0.637 -0.475 1.00 0.00 N ATOM 1398 CA THR A 94 7.899 -1.810 -0.706 1.00 0.00 C ATOM 1399 C THR A 94 7.680 -2.574 0.601 1.00 0.00 C ATOM 1400 O THR A 94 8.620 -2.786 1.366 1.00 0.00 O ATOM 1401 CB THR A 94 8.567 -2.651 -1.796 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.168 -1.688 -2.658 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.551 -3.367 -2.688 1.00 0.00 C ATOM 0 H THR A 94 9.711 -0.756 -0.709 1.00 0.00 H new ATOM 0 HA THR A 94 6.904 -1.531 -1.054 1.00 0.00 H new ATOM 0 HB THR A 94 9.226 -3.386 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.625 -2.147 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.077 -3.949 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.938 -4.032 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.913 -2.631 -3.176 1.00 0.00 H new ATOM 1411 N ALA A 95 6.433 -2.965 0.818 1.00 0.00 N ATOM 1412 CA ALA A 95 6.078 -3.701 2.020 1.00 0.00 C ATOM 1413 C ALA A 95 5.422 -5.026 1.627 1.00 0.00 C ATOM 1414 O ALA A 95 4.697 -5.094 0.636 1.00 0.00 O ATOM 1415 CB ALA A 95 5.168 -2.838 2.897 1.00 0.00 C ATOM 0 H ALA A 95 5.656 -2.786 0.182 1.00 0.00 H new ATOM 0 HA ALA A 95 6.968 -3.934 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.902 -3.390 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.691 -1.922 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.263 -2.586 2.345 1.00 0.00 H new ATOM 1421 N ASN A 96 5.701 -6.047 2.424 1.00 0.00 N ATOM 1422 CA ASN A 96 5.148 -7.367 2.172 1.00 0.00 C ATOM 1423 C ASN A 96 4.998 -8.114 3.498 1.00 0.00 C ATOM 1424 O ASN A 96 5.538 -7.690 4.519 1.00 0.00 O ATOM 1425 CB ASN A 96 6.071 -8.187 1.268 1.00 0.00 C ATOM 1426 CG ASN A 96 7.379 -8.528 1.985 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.537 -8.319 3.177 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.305 -9.062 1.195 1.00 0.00 N ATOM 0 H ASN A 96 6.303 -5.987 3.245 1.00 0.00 H new ATOM 0 HA ASN A 96 4.183 -7.241 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.568 -9.105 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.286 -7.627 0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.213 -9.324 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.107 -9.210 0.205 1.00 0.00 H new ATOM 1435 N VAL A 97 4.262 -9.215 3.441 1.00 0.00 N ATOM 1436 CA VAL A 97 4.034 -10.025 4.625 1.00 0.00 C ATOM 1437 C VAL A 97 4.429 -11.474 4.330 1.00 0.00 C ATOM 1438 O VAL A 97 4.623 -11.844 3.173 1.00 0.00 O ATOM 1439 CB VAL A 97 2.582 -9.883 5.085 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.057 -8.472 4.814 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.691 -10.936 4.423 1.00 0.00 C ATOM 0 H VAL A 97 3.816 -9.565 2.593 1.00 0.00 H new ATOM 0 HA VAL A 97 4.657 -9.679 5.450 1.00 0.00 H new ATOM 0 HB VAL A 97 2.554 -10.050 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.023 -8.398 5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.667 -7.747 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.107 -8.264 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.664 -10.812 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.728 -10.815 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.046 -11.932 4.689 1.00 0.00 H new ATOM 1451 N SER A 98 4.535 -12.254 5.396 1.00 0.00 N ATOM 1452 CA SER A 98 4.902 -13.653 5.265 1.00 0.00 C ATOM 1453 C SER A 98 3.739 -14.543 5.706 1.00 0.00 C ATOM 1454 O SER A 98 3.285 -14.457 6.846 1.00 0.00 O ATOM 1455 CB SER A 98 6.155 -13.972 6.084 1.00 0.00 C ATOM 1456 OG SER A 98 6.963 -14.966 5.459 1.00 0.00 O ATOM 0 H SER A 98 4.373 -11.943 6.354 1.00 0.00 H new ATOM 0 HA SER A 98 5.125 -13.851 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.740 -13.063 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.862 -14.314 7.076 1.00 0.00 H new ATOM 0 HG SER A 98 7.753 -15.140 6.012 1.00 0.00 H new