USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 806 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 40 GLN : amide:sc= -0.56 X(o=-5.7,f=-5.9) USER MOD Set 1.2: A 48 ASN : amide:sc= -4.96! C(o=-5.7!,f=-5.7!) USER MOD Set 1.3: A 50 TYR OH : rot 30:sc= -0.179 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0337) USER MOD Set 2.2: A 94 SER OG : rot -28:sc= 0.137 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00544) USER MOD Single : A 5 SER OG : rot -119:sc= 0.535 USER MOD Single : A 7 MET CE :methyl -153:sc= -0.0286 (180deg=-0.396) USER MOD Single : A 10 SER OG : rot 80:sc= 0.972 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0.569 (180deg=0.471) USER MOD Single : A 72 THR OG1 : rot -14:sc= -1.76 USER MOD Single : A 103 THR OG1 : rot -131:sc= 0.236 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.945 -2.806 -3.192 1.00 0.00 N ATOM 19 CA ARG A 2 3.316 -3.968 -4.050 1.00 0.00 C ATOM 20 C ARG A 2 4.618 -4.648 -3.568 1.00 0.00 C ATOM 21 O ARG A 2 5.370 -5.229 -4.365 1.00 0.00 O ATOM 22 CB ARG A 2 3.421 -3.582 -5.557 1.00 0.00 C ATOM 23 CG ARG A 2 2.111 -3.101 -6.219 1.00 0.00 C ATOM 24 CD ARG A 2 1.759 -1.627 -5.936 1.00 0.00 C ATOM 25 NE ARG A 2 2.872 -0.730 -6.301 1.00 0.00 N ATOM 26 CZ ARG A 2 2.771 0.442 -6.943 1.00 0.00 C ATOM 27 NH1 ARG A 2 1.593 0.939 -7.296 1.00 0.00 N ATOM 28 NH2 ARG A 2 3.871 1.109 -7.231 1.00 0.00 N ATOM 0 HA ARG A 2 2.504 -4.689 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.169 -2.795 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.789 -4.446 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.189 -3.243 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.291 -3.731 -5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.867 -1.350 -6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.522 -1.504 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 2 3.811 -1.031 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.738 0.427 -7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.542 1.833 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.781 0.731 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.812 2.003 -7.719 1.00 0.00 H new ATOM 42 N LEU A 3 4.868 -4.580 -2.251 1.00 0.00 N ATOM 43 CA LEU A 3 6.093 -5.127 -1.637 1.00 0.00 C ATOM 44 C LEU A 3 5.868 -6.576 -1.178 1.00 0.00 C ATOM 45 O LEU A 3 4.747 -7.098 -1.248 1.00 0.00 O ATOM 46 CB LEU A 3 6.615 -4.198 -0.477 1.00 0.00 C ATOM 47 CG LEU A 3 5.555 -3.454 0.399 1.00 0.00 C ATOM 48 CD1 LEU A 3 4.739 -4.424 1.256 1.00 0.00 C ATOM 49 CD2 LEU A 3 6.206 -2.360 1.279 1.00 0.00 C ATOM 0 H LEU A 3 4.231 -4.147 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 3 6.879 -5.148 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.230 -4.806 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.270 -3.447 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 3 4.868 -2.965 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.015 -3.865 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.214 -5.127 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.407 -4.972 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.437 -1.866 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.940 -2.816 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.700 -1.626 0.642 1.00 0.00 H new ATOM 61 N LYS A 4 6.954 -7.208 -0.719 1.00 0.00 N ATOM 62 CA LYS A 4 6.948 -8.610 -0.277 1.00 0.00 C ATOM 63 C LYS A 4 6.131 -8.801 1.015 1.00 0.00 C ATOM 64 O LYS A 4 5.869 -7.841 1.740 1.00 0.00 O ATOM 65 CB LYS A 4 8.402 -9.104 -0.066 1.00 0.00 C ATOM 66 CG LYS A 4 9.245 -9.199 -1.358 1.00 0.00 C ATOM 67 CD LYS A 4 10.584 -9.952 -1.147 1.00 0.00 C ATOM 68 CE LYS A 4 11.526 -9.258 -0.147 1.00 0.00 C ATOM 69 NZ LYS A 4 11.983 -7.928 -0.628 1.00 0.00 N ATOM 0 H LYS A 4 7.867 -6.760 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 4 6.471 -9.202 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.903 -8.431 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.373 -10.086 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.665 -9.707 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.452 -8.194 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.373 -10.962 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.093 -10.049 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.014 -9.140 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.393 -9.894 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.641 -7.516 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.466 -8.037 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.162 -7.299 -0.742 1.00 0.00 H new ATOM 83 N SER A 5 5.762 -10.065 1.281 1.00 0.00 N ATOM 84 CA SER A 5 5.041 -10.486 2.498 1.00 0.00 C ATOM 85 C SER A 5 5.794 -10.074 3.780 1.00 0.00 C ATOM 86 O SER A 5 5.189 -9.577 4.729 1.00 0.00 O ATOM 87 CB SER A 5 4.868 -12.016 2.451 1.00 0.00 C ATOM 88 OG SER A 5 4.150 -12.400 1.298 1.00 0.00 O ATOM 0 H SER A 5 5.959 -10.838 0.646 1.00 0.00 H new ATOM 0 HA SER A 5 4.070 -9.991 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.846 -12.498 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.342 -12.355 3.343 1.00 0.00 H new ATOM 0 HG SER A 5 3.325 -12.857 1.564 1.00 0.00 H new ATOM 94 N GLU A 6 7.124 -10.267 3.767 1.00 0.00 N ATOM 95 CA GLU A 6 8.006 -9.913 4.887 1.00 0.00 C ATOM 96 C GLU A 6 8.086 -8.393 5.047 1.00 0.00 C ATOM 97 O GLU A 6 7.997 -7.867 6.155 1.00 0.00 O ATOM 98 CB GLU A 6 9.430 -10.485 4.677 1.00 0.00 C ATOM 99 CG GLU A 6 10.373 -10.242 5.878 1.00 0.00 C ATOM 100 CD GLU A 6 11.793 -10.777 5.669 1.00 0.00 C ATOM 101 OE1 GLU A 6 11.992 -12.009 5.755 1.00 0.00 O ATOM 102 OE2 GLU A 6 12.721 -9.968 5.440 1.00 0.00 O ATOM 0 H GLU A 6 7.618 -10.675 2.974 1.00 0.00 H new ATOM 0 HA GLU A 6 7.583 -10.349 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.359 -11.557 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.866 -10.035 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.424 -9.171 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.945 -10.711 6.764 1.00 0.00 H new ATOM 109 N MET A 7 8.238 -7.699 3.914 1.00 0.00 N ATOM 110 CA MET A 7 8.349 -6.235 3.886 1.00 0.00 C ATOM 111 C MET A 7 7.008 -5.583 4.292 1.00 0.00 C ATOM 112 O MET A 7 6.983 -4.457 4.796 1.00 0.00 O ATOM 113 CB MET A 7 8.809 -5.768 2.480 1.00 0.00 C ATOM 114 CG MET A 7 9.191 -4.279 2.361 1.00 0.00 C ATOM 115 SD MET A 7 10.626 -3.800 3.365 1.00 0.00 S ATOM 116 CE MET A 7 9.885 -3.105 4.849 1.00 0.00 C ATOM 0 H MET A 7 8.288 -8.134 2.993 1.00 0.00 H new ATOM 0 HA MET A 7 9.099 -5.917 4.610 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.668 -6.369 2.181 1.00 0.00 H new ATOM 0 HB3 MET A 7 8.010 -5.977 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.400 -4.051 1.316 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.336 -3.671 2.655 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.567 -2.379 5.290 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.948 -2.612 4.591 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.690 -3.902 5.566 1.00 0.00 H new ATOM 126 N PHE A 8 5.897 -6.326 4.103 1.00 0.00 N ATOM 127 CA PHE A 8 4.560 -5.862 4.480 1.00 0.00 C ATOM 128 C PHE A 8 4.388 -5.977 5.995 1.00 0.00 C ATOM 129 O PHE A 8 3.984 -5.015 6.630 1.00 0.00 O ATOM 130 CB PHE A 8 3.444 -6.655 3.730 1.00 0.00 C ATOM 131 CG PHE A 8 2.040 -6.046 3.901 1.00 0.00 C ATOM 132 CD1 PHE A 8 1.268 -6.303 5.039 1.00 0.00 C ATOM 133 CD2 PHE A 8 1.513 -5.179 2.939 1.00 0.00 C ATOM 134 CE1 PHE A 8 0.028 -5.719 5.204 1.00 0.00 C ATOM 135 CE2 PHE A 8 0.271 -4.596 3.108 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.471 -4.865 4.239 1.00 0.00 C ATOM 0 H PHE A 8 5.909 -7.257 3.687 1.00 0.00 H new ATOM 0 HA PHE A 8 4.461 -4.817 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.688 -6.694 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.433 -7.683 4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.648 -6.968 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.085 -4.961 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.553 -5.930 6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.119 -3.929 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.441 -4.409 4.370 1.00 0.00 H new ATOM 146 N VAL A 9 4.713 -7.160 6.557 1.00 0.00 N ATOM 147 CA VAL A 9 4.501 -7.446 7.995 1.00 0.00 C ATOM 148 C VAL A 9 5.415 -6.594 8.888 1.00 0.00 C ATOM 149 O VAL A 9 4.999 -6.161 9.962 1.00 0.00 O ATOM 150 CB VAL A 9 4.686 -8.963 8.353 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.683 -9.837 7.587 1.00 0.00 C ATOM 152 CG2 VAL A 9 6.129 -9.445 8.116 1.00 0.00 C ATOM 0 H VAL A 9 5.124 -7.935 6.037 1.00 0.00 H new ATOM 0 HA VAL A 9 3.462 -7.181 8.191 1.00 0.00 H new ATOM 0 HB VAL A 9 4.485 -9.065 9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.834 -10.883 7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.667 -9.539 7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.835 -9.711 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.208 -10.500 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.390 -9.311 7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.813 -8.865 8.736 1.00 0.00 H new ATOM 162 N SER A 10 6.655 -6.356 8.420 1.00 0.00 N ATOM 163 CA SER A 10 7.621 -5.498 9.115 1.00 0.00 C ATOM 164 C SER A 10 7.077 -4.059 9.187 1.00 0.00 C ATOM 165 O SER A 10 6.990 -3.481 10.271 1.00 0.00 O ATOM 166 CB SER A 10 8.985 -5.548 8.397 1.00 0.00 C ATOM 167 OG SER A 10 9.474 -6.878 8.337 1.00 0.00 O ATOM 0 H SER A 10 7.010 -6.754 7.551 1.00 0.00 H new ATOM 0 HA SER A 10 7.766 -5.860 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.885 -5.147 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.701 -4.916 8.922 1.00 0.00 H new ATOM 0 HG SER A 10 9.034 -7.356 7.603 1.00 0.00 H new ATOM 173 N ALA A 11 6.628 -3.541 8.026 1.00 0.00 N ATOM 174 CA ALA A 11 6.030 -2.192 7.914 1.00 0.00 C ATOM 175 C ALA A 11 4.696 -2.097 8.691 1.00 0.00 C ATOM 176 O ALA A 11 4.378 -1.053 9.254 1.00 0.00 O ATOM 177 CB ALA A 11 5.828 -1.830 6.431 1.00 0.00 C ATOM 0 H ALA A 11 6.669 -4.044 7.140 1.00 0.00 H new ATOM 0 HA ALA A 11 6.717 -1.475 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.387 -0.836 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.791 -1.840 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.163 -2.558 5.966 1.00 0.00 H new ATOM 183 N LEU A 12 3.962 -3.223 8.739 1.00 0.00 N ATOM 184 CA LEU A 12 2.643 -3.349 9.408 1.00 0.00 C ATOM 185 C LEU A 12 2.756 -3.068 10.909 1.00 0.00 C ATOM 186 O LEU A 12 1.907 -2.397 11.505 1.00 0.00 O ATOM 187 CB LEU A 12 2.086 -4.774 9.158 1.00 0.00 C ATOM 188 CG LEU A 12 0.783 -5.181 9.907 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.391 -4.264 9.546 1.00 0.00 C ATOM 190 CD2 LEU A 12 0.441 -6.656 9.630 1.00 0.00 C ATOM 0 H LEU A 12 4.271 -4.093 8.306 1.00 0.00 H new ATOM 0 HA LEU A 12 1.959 -2.611 8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.906 -4.881 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.864 -5.490 9.424 1.00 0.00 H new ATOM 0 HG LEU A 12 0.963 -5.063 10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.281 -4.581 10.089 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.147 -3.237 9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.581 -4.321 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.472 -6.924 10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.294 -6.801 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.259 -7.290 9.973 1.00 0.00 H new ATOM 202 N ILE A 13 3.833 -3.581 11.488 1.00 0.00 N ATOM 203 CA ILE A 13 4.176 -3.379 12.895 1.00 0.00 C ATOM 204 C ILE A 13 4.474 -1.889 13.171 1.00 0.00 C ATOM 205 O ILE A 13 4.078 -1.351 14.196 1.00 0.00 O ATOM 206 CB ILE A 13 5.381 -4.325 13.252 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.911 -5.814 13.101 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.965 -4.055 14.659 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.002 -6.845 13.136 1.00 0.00 C ATOM 0 H ILE A 13 4.507 -4.160 10.987 1.00 0.00 H new ATOM 0 HA ILE A 13 3.337 -3.640 13.540 1.00 0.00 H new ATOM 0 HB ILE A 13 6.196 -4.120 12.558 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.201 -6.035 13.898 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.373 -5.913 12.158 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.793 -4.739 14.847 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.324 -3.027 14.713 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.190 -4.208 15.410 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.568 -7.838 13.023 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.703 -6.661 12.322 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.529 -6.785 14.088 1.00 0.00 H new ATOM 221 N ARG A 14 5.112 -1.214 12.209 1.00 0.00 N ATOM 222 CA ARG A 14 5.410 0.236 12.316 1.00 0.00 C ATOM 223 C ARG A 14 4.133 1.077 12.110 1.00 0.00 C ATOM 224 O ARG A 14 4.055 2.206 12.606 1.00 0.00 O ATOM 225 CB ARG A 14 6.553 0.661 11.340 1.00 0.00 C ATOM 226 CG ARG A 14 7.988 0.288 11.819 1.00 0.00 C ATOM 227 CD ARG A 14 8.188 -1.223 11.983 1.00 0.00 C ATOM 228 NE ARG A 14 9.493 -1.598 12.546 1.00 0.00 N ATOM 229 CZ ARG A 14 9.942 -2.860 12.651 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.222 -3.876 12.182 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.115 -3.097 13.212 1.00 0.00 N ATOM 0 H ARG A 14 5.437 -1.641 11.342 1.00 0.00 H new ATOM 0 HA ARG A 14 5.771 0.430 13.326 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.376 0.196 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.503 1.740 11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.715 0.670 11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.188 0.781 12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.400 -1.615 12.627 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.073 -1.702 11.010 1.00 0.00 H new ATOM 0 HE ARG A 14 10.099 -0.849 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.321 -3.700 11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.571 -4.831 12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.678 -2.323 13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.458 -4.054 13.293 1.00 0.00 H new ATOM 245 N ARG A 15 3.139 0.512 11.384 1.00 0.00 N ATOM 246 CA ARG A 15 1.820 1.153 11.199 1.00 0.00 C ATOM 247 C ARG A 15 1.068 1.225 12.540 1.00 0.00 C ATOM 248 O ARG A 15 0.462 2.256 12.868 1.00 0.00 O ATOM 249 CB ARG A 15 0.931 0.393 10.169 1.00 0.00 C ATOM 250 CG ARG A 15 1.507 0.263 8.742 1.00 0.00 C ATOM 251 CD ARG A 15 0.475 -0.285 7.735 1.00 0.00 C ATOM 252 NE ARG A 15 -0.655 0.646 7.566 1.00 0.00 N ATOM 253 CZ ARG A 15 -1.677 0.488 6.714 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.753 -0.564 5.904 1.00 0.00 N ATOM 255 NH2 ARG A 15 -2.623 1.402 6.678 1.00 0.00 N ATOM 0 H ARG A 15 3.229 -0.390 10.916 1.00 0.00 H new ATOM 0 HA ARG A 15 2.011 2.155 10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.739 -0.608 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.032 0.900 10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.856 1.239 8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.375 -0.396 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.957 -0.453 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.105 -1.251 8.079 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.659 1.483 8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.022 -1.275 5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.542 -0.660 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.571 2.214 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.408 1.298 6.036 1.00 0.00 H new ATOM 269 N VAL A 16 1.106 0.110 13.309 1.00 0.00 N ATOM 270 CA VAL A 16 0.365 0.013 14.578 1.00 0.00 C ATOM 271 C VAL A 16 0.999 0.911 15.652 1.00 0.00 C ATOM 272 O VAL A 16 0.288 1.535 16.420 1.00 0.00 O ATOM 273 CB VAL A 16 0.213 -1.463 15.121 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.242 -2.439 14.013 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.486 -1.969 15.808 1.00 0.00 C ATOM 0 H VAL A 16 1.639 -0.726 13.070 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.643 0.362 14.356 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.570 -1.429 15.879 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.334 -3.443 14.428 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.207 -2.119 13.620 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.494 -2.445 13.209 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.328 -2.988 16.163 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.312 -1.956 15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.724 -1.323 16.653 1.00 0.00 H new ATOM 285 N PHE A 17 2.347 0.978 15.681 1.00 0.00 N ATOM 286 CA PHE A 17 3.088 1.815 16.644 1.00 0.00 C ATOM 287 C PHE A 17 2.933 3.308 16.301 1.00 0.00 C ATOM 288 O PHE A 17 2.992 4.159 17.195 1.00 0.00 O ATOM 289 CB PHE A 17 4.578 1.378 16.738 1.00 0.00 C ATOM 290 CG PHE A 17 4.785 0.093 17.553 1.00 0.00 C ATOM 291 CD1 PHE A 17 4.556 0.090 18.927 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.179 -1.103 16.959 1.00 0.00 C ATOM 293 CE1 PHE A 17 4.716 -1.059 19.674 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.334 -2.255 17.709 1.00 0.00 C ATOM 295 CZ PHE A 17 5.104 -2.231 19.063 1.00 0.00 C ATOM 0 H PHE A 17 2.947 0.457 15.042 1.00 0.00 H new ATOM 0 HA PHE A 17 2.657 1.667 17.634 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.970 1.229 15.732 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.158 2.183 17.189 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.248 1.002 19.416 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.367 -1.132 15.896 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.537 -1.039 20.739 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.636 -3.174 17.229 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.227 -3.130 19.648 1.00 0.00 H new ATOM 305 N ALA A 18 2.728 3.610 15.003 1.00 0.00 N ATOM 306 CA ALA A 18 2.351 4.965 14.543 1.00 0.00 C ATOM 307 C ALA A 18 0.932 5.344 15.034 1.00 0.00 C ATOM 308 O ALA A 18 0.632 6.521 15.246 1.00 0.00 O ATOM 309 CB ALA A 18 2.438 5.049 13.010 1.00 0.00 C ATOM 0 H ALA A 18 2.818 2.929 14.249 1.00 0.00 H new ATOM 0 HA ALA A 18 3.053 5.680 14.971 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.158 6.051 12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.458 4.835 12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.759 4.320 12.567 1.00 0.00 H new ATOM 315 N ALA A 19 0.067 4.324 15.195 1.00 0.00 N ATOM 316 CA ALA A 19 -1.302 4.489 15.736 1.00 0.00 C ATOM 317 C ALA A 19 -1.318 4.424 17.282 1.00 0.00 C ATOM 318 O ALA A 19 -2.272 4.886 17.915 1.00 0.00 O ATOM 319 CB ALA A 19 -2.229 3.421 15.135 1.00 0.00 C ATOM 0 H ALA A 19 0.295 3.360 14.954 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.664 5.478 15.453 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.235 3.546 15.535 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.254 3.529 14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.856 2.429 15.392 1.00 0.00 H new ATOM 325 N GLY A 20 -0.260 3.839 17.876 1.00 0.00 N ATOM 326 CA GLY A 20 -0.128 3.719 19.337 1.00 0.00 C ATOM 327 C GLY A 20 -0.354 2.299 19.866 1.00 0.00 C ATOM 328 O GLY A 20 -0.190 2.058 21.069 1.00 0.00 O ATOM 0 H GLY A 20 0.522 3.439 17.358 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.868 4.051 19.631 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.842 4.391 19.813 1.00 0.00 H new ATOM 332 N GLY A 21 -0.736 1.370 18.969 1.00 0.00 N ATOM 333 CA GLY A 21 -0.931 -0.046 19.317 1.00 0.00 C ATOM 334 C GLY A 21 0.371 -0.855 19.309 1.00 0.00 C ATOM 335 O GLY A 21 1.446 -0.307 19.055 1.00 0.00 O ATOM 0 H GLY A 21 -0.917 1.581 17.988 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.385 -0.111 20.306 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.633 -0.493 18.613 1.00 0.00 H new ATOM 339 N PHE A 22 0.261 -2.172 19.565 1.00 0.00 N ATOM 340 CA PHE A 22 1.419 -3.108 19.660 1.00 0.00 C ATOM 341 C PHE A 22 1.374 -4.106 18.487 1.00 0.00 C ATOM 342 O PHE A 22 0.323 -4.269 17.871 1.00 0.00 O ATOM 343 CB PHE A 22 1.385 -3.854 21.030 1.00 0.00 C ATOM 344 CG PHE A 22 2.509 -4.882 21.239 1.00 0.00 C ATOM 345 CD1 PHE A 22 3.793 -4.474 21.588 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.279 -6.254 21.069 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.811 -5.395 21.762 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.297 -7.174 21.243 1.00 0.00 C ATOM 349 CZ PHE A 22 4.563 -6.743 21.589 1.00 0.00 C ATOM 0 H PHE A 22 -0.638 -2.630 19.715 1.00 0.00 H new ATOM 0 HA PHE A 22 2.351 -2.546 19.600 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.436 -3.115 21.830 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.426 -4.363 21.126 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.998 -3.423 21.725 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.292 -6.598 20.798 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.801 -5.059 22.033 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.102 -8.228 21.109 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.359 -7.460 21.724 1.00 0.00 H new ATOM 359 N ALA A 23 2.527 -4.731 18.151 1.00 0.00 N ATOM 360 CA ALA A 23 2.600 -5.803 17.132 1.00 0.00 C ATOM 361 C ALA A 23 3.885 -6.625 17.258 1.00 0.00 C ATOM 362 O ALA A 23 4.878 -6.152 17.834 1.00 0.00 O ATOM 363 CB ALA A 23 2.490 -5.245 15.715 1.00 0.00 C ATOM 0 H ALA A 23 3.427 -4.508 18.576 1.00 0.00 H new ATOM 0 HA ALA A 23 1.749 -6.458 17.319 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.548 -6.063 14.996 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.537 -4.728 15.600 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.306 -4.545 15.535 1.00 0.00 H new ATOM 369 N ALA A 24 3.849 -7.844 16.667 1.00 0.00 N ATOM 370 CA ALA A 24 4.976 -8.791 16.658 1.00 0.00 C ATOM 371 C ALA A 24 4.646 -9.989 15.744 1.00 0.00 C ATOM 372 O ALA A 24 3.519 -10.494 15.769 1.00 0.00 O ATOM 373 CB ALA A 24 5.293 -9.264 18.088 1.00 0.00 C ATOM 0 H ALA A 24 3.025 -8.195 16.180 1.00 0.00 H new ATOM 0 HA ALA A 24 5.860 -8.288 16.266 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.129 -9.964 18.063 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.557 -8.405 18.705 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.418 -9.759 18.510 1.00 0.00 H new ATOM 379 N VAL A 25 5.630 -10.429 14.929 1.00 0.00 N ATOM 380 CA VAL A 25 5.474 -11.600 14.037 1.00 0.00 C ATOM 381 C VAL A 25 5.715 -12.900 14.835 1.00 0.00 C ATOM 382 O VAL A 25 6.822 -13.135 15.336 1.00 0.00 O ATOM 383 CB VAL A 25 6.452 -11.542 12.795 1.00 0.00 C ATOM 384 CG1 VAL A 25 6.325 -12.800 11.896 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.222 -10.259 11.964 1.00 0.00 C ATOM 0 H VAL A 25 6.547 -9.987 14.871 1.00 0.00 H new ATOM 0 HA VAL A 25 4.455 -11.584 13.650 1.00 0.00 H new ATOM 0 HB VAL A 25 7.467 -11.521 13.192 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.014 -12.718 11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.567 -13.689 12.478 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.304 -12.878 11.522 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.908 -10.246 11.117 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.195 -10.241 11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.401 -9.384 12.589 1.00 0.00 H new ATOM 395 N GLU A 26 4.659 -13.713 14.963 1.00 0.00 N ATOM 396 CA GLU A 26 4.707 -15.021 15.636 1.00 0.00 C ATOM 397 C GLU A 26 5.230 -16.108 14.680 1.00 0.00 C ATOM 398 O GLU A 26 6.158 -16.853 15.011 1.00 0.00 O ATOM 399 CB GLU A 26 3.292 -15.393 16.137 1.00 0.00 C ATOM 400 CG GLU A 26 2.643 -14.331 17.040 1.00 0.00 C ATOM 401 CD GLU A 26 1.283 -14.773 17.589 1.00 0.00 C ATOM 402 OE1 GLU A 26 1.245 -15.509 18.601 1.00 0.00 O ATOM 403 OE2 GLU A 26 0.242 -14.412 17.009 1.00 0.00 O ATOM 0 H GLU A 26 3.735 -13.480 14.598 1.00 0.00 H new ATOM 0 HA GLU A 26 5.390 -14.956 16.483 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.647 -15.564 15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.348 -16.334 16.685 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.312 -14.110 17.872 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.519 -13.407 16.476 1.00 0.00 H new ATOM 410 N LYS A 27 4.614 -16.183 13.487 1.00 0.00 N ATOM 411 CA LYS A 27 4.913 -17.219 12.475 1.00 0.00 C ATOM 412 C LYS A 27 5.518 -16.571 11.224 1.00 0.00 C ATOM 413 O LYS A 27 5.056 -15.516 10.785 1.00 0.00 O ATOM 414 CB LYS A 27 3.617 -17.995 12.124 1.00 0.00 C ATOM 415 CG LYS A 27 3.770 -19.077 11.030 1.00 0.00 C ATOM 416 CD LYS A 27 2.471 -19.879 10.792 1.00 0.00 C ATOM 417 CE LYS A 27 2.608 -20.924 9.668 1.00 0.00 C ATOM 418 NZ LYS A 27 3.647 -21.940 9.967 1.00 0.00 N ATOM 0 H LYS A 27 3.891 -15.525 13.194 1.00 0.00 H new ATOM 0 HA LYS A 27 5.640 -17.923 12.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.240 -18.469 13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.861 -17.279 11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.074 -18.603 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.568 -19.763 11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.186 -20.382 11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.665 -19.189 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.650 -21.421 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.855 -20.419 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.645 -22.668 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.580 -21.483 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.445 -22.383 10.886 1.00 0.00 H new ATOM 432 N LYS A 28 6.520 -17.240 10.635 1.00 0.00 N ATOM 433 CA LYS A 28 7.298 -16.709 9.503 1.00 0.00 C ATOM 434 C LYS A 28 7.359 -17.751 8.373 1.00 0.00 C ATOM 435 O LYS A 28 7.880 -18.851 8.579 1.00 0.00 O ATOM 436 CB LYS A 28 8.734 -16.341 9.977 1.00 0.00 C ATOM 437 CG LYS A 28 9.571 -15.609 8.911 1.00 0.00 C ATOM 438 CD LYS A 28 10.993 -15.219 9.380 1.00 0.00 C ATOM 439 CE LYS A 28 11.663 -14.186 8.444 1.00 0.00 C ATOM 440 NZ LYS A 28 11.698 -14.626 7.022 1.00 0.00 N ATOM 0 H LYS A 28 6.816 -18.170 10.931 1.00 0.00 H new ATOM 0 HA LYS A 28 6.811 -15.811 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.664 -15.713 10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.254 -17.252 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.653 -16.245 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.041 -14.707 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.940 -14.810 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.613 -16.114 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.126 -13.240 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.681 -14.000 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.983 -13.828 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.382 -15.403 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.753 -14.955 6.737 1.00 0.00 H new ATOM 454 N GLY A 29 6.832 -17.398 7.189 1.00 0.00 N ATOM 455 CA GLY A 29 6.843 -18.289 6.021 1.00 0.00 C ATOM 456 C GLY A 29 7.544 -17.666 4.818 1.00 0.00 C ATOM 457 O GLY A 29 8.636 -17.106 4.963 1.00 0.00 O ATOM 0 H GLY A 29 6.390 -16.495 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.341 -19.222 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.818 -18.540 5.750 1.00 0.00 H new ATOM 461 N ALA A 30 6.894 -17.744 3.638 1.00 0.00 N ATOM 462 CA ALA A 30 7.446 -17.257 2.354 1.00 0.00 C ATOM 463 C ALA A 30 7.543 -15.717 2.328 1.00 0.00 C ATOM 464 O ALA A 30 6.533 -15.024 2.472 1.00 0.00 O ATOM 465 CB ALA A 30 6.589 -17.772 1.183 1.00 0.00 C ATOM 0 H ALA A 30 5.963 -18.150 3.548 1.00 0.00 H new ATOM 0 HA ALA A 30 8.458 -17.648 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.003 -17.409 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.590 -18.862 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.567 -17.410 1.294 1.00 0.00 H new ATOM 471 N GLU A 31 8.765 -15.205 2.131 1.00 0.00 N ATOM 472 CA GLU A 31 9.080 -13.767 2.237 1.00 0.00 C ATOM 473 C GLU A 31 8.339 -12.912 1.196 1.00 0.00 C ATOM 474 O GLU A 31 7.979 -11.791 1.488 1.00 0.00 O ATOM 475 CB GLU A 31 10.602 -13.552 2.100 1.00 0.00 C ATOM 476 CG GLU A 31 11.437 -14.267 3.174 1.00 0.00 C ATOM 477 CD GLU A 31 12.944 -14.229 2.871 1.00 0.00 C ATOM 478 OE1 GLU A 31 13.369 -14.841 1.865 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.714 -13.602 3.625 1.00 0.00 O ATOM 0 H GLU A 31 9.573 -15.779 1.891 1.00 0.00 H new ATOM 0 HA GLU A 31 8.739 -13.440 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.920 -13.900 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.812 -12.483 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.253 -13.802 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.111 -15.304 3.252 1.00 0.00 H new ATOM 486 N ALA A 32 8.139 -13.440 -0.014 1.00 0.00 N ATOM 487 CA ALA A 32 7.502 -12.687 -1.128 1.00 0.00 C ATOM 488 C ALA A 32 5.983 -12.947 -1.237 1.00 0.00 C ATOM 489 O ALA A 32 5.193 -11.996 -1.346 1.00 0.00 O ATOM 490 CB ALA A 32 8.205 -13.004 -2.460 1.00 0.00 C ATOM 0 H ALA A 32 8.407 -14.393 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 32 7.620 -11.627 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.728 -12.446 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.255 -12.719 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.131 -14.072 -2.665 1.00 0.00 H new ATOM 496 N ALA A 33 5.580 -14.234 -1.185 1.00 0.00 N ATOM 497 CA ALA A 33 4.195 -14.665 -1.518 1.00 0.00 C ATOM 498 C ALA A 33 3.451 -15.303 -0.322 1.00 0.00 C ATOM 499 O ALA A 33 2.360 -15.863 -0.503 1.00 0.00 O ATOM 500 CB ALA A 33 4.247 -15.639 -2.714 1.00 0.00 C ATOM 0 H ALA A 33 6.195 -15.001 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 33 3.624 -13.774 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.236 -15.961 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.692 -15.137 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.849 -16.508 -2.449 1.00 0.00 H new ATOM 506 N GLY A 34 4.022 -15.184 0.891 1.00 0.00 N ATOM 507 CA GLY A 34 3.423 -15.766 2.108 1.00 0.00 C ATOM 508 C GLY A 34 2.058 -15.169 2.472 1.00 0.00 C ATOM 509 O GLY A 34 1.862 -13.953 2.363 1.00 0.00 O ATOM 0 H GLY A 34 4.899 -14.689 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.313 -16.842 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.107 -15.621 2.944 1.00 0.00 H new ATOM 513 N ALA A 35 1.119 -16.032 2.898 1.00 0.00 N ATOM 514 CA ALA A 35 -0.265 -15.634 3.235 1.00 0.00 C ATOM 515 C ALA A 35 -0.316 -14.965 4.620 1.00 0.00 C ATOM 516 O ALA A 35 -0.151 -15.621 5.637 1.00 0.00 O ATOM 517 CB ALA A 35 -1.180 -16.865 3.186 1.00 0.00 C ATOM 0 H ALA A 35 1.296 -17.029 3.020 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.615 -14.906 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.200 -16.571 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.160 -17.294 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.831 -17.607 3.905 1.00 0.00 H new ATOM 523 N ILE A 36 -0.552 -13.656 4.653 1.00 0.00 N ATOM 524 CA ILE A 36 -0.452 -12.875 5.892 1.00 0.00 C ATOM 525 C ILE A 36 -1.778 -12.940 6.677 1.00 0.00 C ATOM 526 O ILE A 36 -2.780 -12.339 6.275 1.00 0.00 O ATOM 527 CB ILE A 36 -0.066 -11.376 5.621 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.135 -11.252 4.632 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.250 -10.655 6.958 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.382 -11.984 5.074 1.00 0.00 C ATOM 0 H ILE A 36 -0.815 -13.108 3.834 1.00 0.00 H new ATOM 0 HA ILE A 36 0.347 -13.319 6.486 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.922 -10.894 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.829 -11.634 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.375 -10.197 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.516 -9.617 6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.627 -10.686 7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.083 -11.154 7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.167 -11.846 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.716 -11.587 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.163 -13.047 5.178 1.00 0.00 H new ATOM 542 N PHE A 37 -1.778 -13.720 7.764 1.00 0.00 N ATOM 543 CA PHE A 37 -2.885 -13.789 8.722 1.00 0.00 C ATOM 544 C PHE A 37 -2.521 -12.991 9.980 1.00 0.00 C ATOM 545 O PHE A 37 -1.611 -13.356 10.719 1.00 0.00 O ATOM 546 CB PHE A 37 -3.211 -15.264 9.065 1.00 0.00 C ATOM 547 CG PHE A 37 -3.892 -16.008 7.919 1.00 0.00 C ATOM 548 CD1 PHE A 37 -3.151 -16.556 6.876 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.276 -16.138 7.880 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.768 -17.209 5.834 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.891 -16.793 6.839 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.139 -17.328 5.814 1.00 0.00 C ATOM 0 H PHE A 37 -0.997 -14.330 8.006 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.779 -13.349 8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.289 -15.782 9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.856 -15.293 9.943 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.075 -16.467 6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.874 -15.720 8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.177 -17.628 5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.967 -16.889 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.625 -17.840 4.997 1.00 0.00 H new ATOM 562 N VAL A 38 -3.244 -11.890 10.204 1.00 0.00 N ATOM 563 CA VAL A 38 -3.013 -10.974 11.332 1.00 0.00 C ATOM 564 C VAL A 38 -4.215 -11.030 12.275 1.00 0.00 C ATOM 565 O VAL A 38 -5.348 -11.098 11.814 1.00 0.00 O ATOM 566 CB VAL A 38 -2.802 -9.499 10.819 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.489 -8.524 11.975 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.687 -9.445 9.761 1.00 0.00 C ATOM 0 H VAL A 38 -4.016 -11.604 9.602 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.112 -11.282 11.861 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.739 -9.181 10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.351 -7.519 11.576 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.317 -8.522 12.684 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.578 -8.841 12.482 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.558 -8.418 9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.754 -9.803 10.197 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.958 -10.076 8.915 1.00 0.00 H new ATOM 578 N ARG A 39 -3.974 -11.023 13.592 1.00 0.00 N ATOM 579 CA ARG A 39 -5.052 -10.954 14.591 1.00 0.00 C ATOM 580 C ARG A 39 -4.989 -9.615 15.348 1.00 0.00 C ATOM 581 O ARG A 39 -3.960 -9.282 15.926 1.00 0.00 O ATOM 582 CB ARG A 39 -5.001 -12.159 15.577 1.00 0.00 C ATOM 583 CG ARG A 39 -3.662 -12.384 16.329 1.00 0.00 C ATOM 584 CD ARG A 39 -3.777 -13.491 17.400 1.00 0.00 C ATOM 585 NE ARG A 39 -2.500 -13.821 18.038 1.00 0.00 N ATOM 586 CZ ARG A 39 -2.221 -13.672 19.350 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.163 -13.299 20.212 1.00 0.00 N ATOM 588 NH2 ARG A 39 -1.006 -13.932 19.799 1.00 0.00 N ATOM 0 H ARG A 39 -3.037 -11.064 13.994 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.005 -11.012 14.064 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.790 -12.027 16.318 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.235 -13.066 15.020 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.885 -12.652 15.613 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.352 -11.453 16.803 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.485 -13.173 18.165 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.187 -14.390 16.940 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.761 -14.194 17.442 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.112 -13.121 19.884 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.936 -13.191 21.200 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.280 -14.245 19.154 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.794 -13.820 20.790 1.00 0.00 H new ATOM 602 N GLN A 40 -6.096 -8.848 15.313 1.00 0.00 N ATOM 603 CA GLN A 40 -6.286 -7.663 16.172 1.00 0.00 C ATOM 604 C GLN A 40 -6.681 -8.148 17.558 1.00 0.00 C ATOM 605 O GLN A 40 -7.404 -9.130 17.682 1.00 0.00 O ATOM 606 CB GLN A 40 -7.370 -6.680 15.586 1.00 0.00 C ATOM 607 CG GLN A 40 -8.434 -6.161 16.588 1.00 0.00 C ATOM 608 CD GLN A 40 -9.319 -5.048 16.040 1.00 0.00 C ATOM 609 OE1 GLN A 40 -10.347 -5.292 15.419 1.00 0.00 O ATOM 610 NE2 GLN A 40 -8.934 -3.820 16.305 1.00 0.00 N ATOM 0 H GLN A 40 -6.882 -9.032 14.690 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.356 -7.097 16.220 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.856 -5.820 15.155 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.886 -7.185 14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.066 -6.995 16.894 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.928 -5.800 17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.072 -3.657 16.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.497 -3.030 15.991 1.00 0.00 H new ATOM 619 N ARG A 41 -6.204 -7.449 18.588 1.00 0.00 N ATOM 620 CA ARG A 41 -6.463 -7.803 19.978 1.00 0.00 C ATOM 621 C ARG A 41 -7.074 -6.613 20.714 1.00 0.00 C ATOM 622 O ARG A 41 -6.436 -5.564 20.857 1.00 0.00 O ATOM 623 CB ARG A 41 -5.154 -8.239 20.652 1.00 0.00 C ATOM 624 CG ARG A 41 -5.346 -8.810 22.068 1.00 0.00 C ATOM 625 CD ARG A 41 -4.057 -9.413 22.645 1.00 0.00 C ATOM 626 NE ARG A 41 -4.325 -10.188 23.869 1.00 0.00 N ATOM 627 CZ ARG A 41 -4.780 -11.455 23.897 1.00 0.00 C ATOM 628 NH1 ARG A 41 -5.028 -12.126 22.769 1.00 0.00 N ATOM 629 NH2 ARG A 41 -4.993 -12.043 25.064 1.00 0.00 N ATOM 0 H ARG A 41 -5.624 -6.617 18.478 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.170 -8.632 20.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.668 -8.991 20.030 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.480 -7.384 20.703 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.700 -8.019 22.729 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.121 -9.576 22.044 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.590 -10.057 21.900 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.348 -8.615 22.866 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.153 -9.730 24.764 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.873 -11.679 21.865 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.372 -13.085 22.811 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.813 -11.536 25.931 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.338 -13.002 25.096 1.00 0.00 H new ATOM 643 N LEU A 42 -8.314 -6.791 21.158 1.00 0.00 N ATOM 644 CA LEU A 42 -9.043 -5.809 21.961 1.00 0.00 C ATOM 645 C LEU A 42 -8.673 -5.981 23.445 1.00 0.00 C ATOM 646 O LEU A 42 -8.298 -7.082 23.879 1.00 0.00 O ATOM 647 CB LEU A 42 -10.588 -5.970 21.770 1.00 0.00 C ATOM 648 CG LEU A 42 -11.164 -5.774 20.319 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.671 -4.475 19.678 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.894 -6.988 19.411 1.00 0.00 C ATOM 0 H LEU A 42 -8.852 -7.636 20.968 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.762 -4.809 21.630 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.867 -6.967 22.111 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.085 -5.257 22.428 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.246 -5.694 20.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.093 -4.380 18.677 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.985 -3.627 20.286 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.583 -4.491 19.613 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.311 -6.802 18.421 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.819 -7.148 19.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.360 -7.875 19.841 1.00 0.00 H new ATOM 662 N ARG A 43 -8.813 -4.888 24.215 1.00 0.00 N ATOM 663 CA ARG A 43 -8.566 -4.872 25.679 1.00 0.00 C ATOM 664 C ARG A 43 -9.518 -5.825 26.443 1.00 0.00 C ATOM 665 O ARG A 43 -9.222 -6.242 27.568 1.00 0.00 O ATOM 666 CB ARG A 43 -8.724 -3.432 26.241 1.00 0.00 C ATOM 667 CG ARG A 43 -10.109 -2.758 25.972 1.00 0.00 C ATOM 668 CD ARG A 43 -10.087 -1.783 24.780 1.00 0.00 C ATOM 669 NE ARG A 43 -9.261 -0.597 25.081 1.00 0.00 N ATOM 670 CZ ARG A 43 -8.769 0.265 24.180 1.00 0.00 C ATOM 671 NH1 ARG A 43 -8.925 0.060 22.888 1.00 0.00 N ATOM 672 NH2 ARG A 43 -8.110 1.333 24.590 1.00 0.00 N ATOM 0 H ARG A 43 -9.102 -3.983 23.843 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.544 -5.220 25.831 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.555 -3.459 27.317 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.943 -2.804 25.811 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.853 -3.533 25.786 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.425 -2.221 26.867 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.694 -2.290 23.898 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.104 -1.471 24.542 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.046 -0.418 26.062 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.427 -0.765 22.559 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.544 0.726 22.216 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.978 1.499 25.588 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.733 1.992 23.909 1.00 0.00 H new ATOM 686 N ASP A 44 -10.653 -6.150 25.803 1.00 0.00 N ATOM 687 CA ASP A 44 -11.706 -7.010 26.364 1.00 0.00 C ATOM 688 C ASP A 44 -11.269 -8.486 26.402 1.00 0.00 C ATOM 689 O ASP A 44 -11.926 -9.312 27.041 1.00 0.00 O ATOM 690 CB ASP A 44 -12.991 -6.858 25.508 1.00 0.00 C ATOM 691 CG ASP A 44 -13.456 -5.393 25.372 1.00 0.00 C ATOM 692 OD1 ASP A 44 -12.891 -4.661 24.521 1.00 0.00 O ATOM 693 OD2 ASP A 44 -14.375 -4.966 26.107 1.00 0.00 O ATOM 0 H ASP A 44 -10.868 -5.816 24.864 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.900 -6.698 27.390 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.810 -7.269 24.515 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.791 -7.447 25.956 1.00 0.00 H new ATOM 698 N GLY A 45 -10.163 -8.805 25.706 1.00 0.00 N ATOM 699 CA GLY A 45 -9.652 -10.173 25.611 1.00 0.00 C ATOM 700 C GLY A 45 -10.089 -10.851 24.329 1.00 0.00 C ATOM 701 O GLY A 45 -9.642 -11.959 24.022 1.00 0.00 O ATOM 0 H GLY A 45 -9.604 -8.120 25.197 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.563 -10.158 25.661 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.003 -10.752 26.466 1.00 0.00 H new ATOM 705 N ARG A 46 -10.974 -10.178 23.572 1.00 0.00 N ATOM 706 CA ARG A 46 -11.473 -10.679 22.286 1.00 0.00 C ATOM 707 C ARG A 46 -10.574 -10.205 21.155 1.00 0.00 C ATOM 708 O ARG A 46 -9.729 -9.329 21.356 1.00 0.00 O ATOM 709 CB ARG A 46 -12.950 -10.260 22.060 1.00 0.00 C ATOM 710 CG ARG A 46 -13.903 -10.741 23.179 1.00 0.00 C ATOM 711 CD ARG A 46 -13.831 -12.274 23.368 1.00 0.00 C ATOM 712 NE ARG A 46 -14.792 -12.779 24.361 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.117 -14.076 24.545 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.608 -15.031 23.769 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.970 -14.404 25.504 1.00 0.00 N ATOM 0 H ARG A 46 -11.361 -9.272 23.837 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.449 -11.769 22.302 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.005 -9.174 21.988 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.291 -10.660 21.105 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.645 -10.246 24.115 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.925 -10.451 22.936 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.017 -12.761 22.411 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.822 -12.549 23.675 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.250 -12.092 24.960 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.960 -14.788 23.020 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.866 -16.006 23.924 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.375 -13.679 26.096 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.222 -15.382 25.650 1.00 0.00 H new ATOM 729 N GLU A 47 -10.766 -10.794 19.966 1.00 0.00 N ATOM 730 CA GLU A 47 -9.849 -10.650 18.828 1.00 0.00 C ATOM 731 C GLU A 47 -10.621 -10.702 17.501 1.00 0.00 C ATOM 732 O GLU A 47 -11.805 -11.054 17.465 1.00 0.00 O ATOM 733 CB GLU A 47 -8.721 -11.740 18.853 1.00 0.00 C ATOM 734 CG GLU A 47 -7.778 -11.670 20.084 1.00 0.00 C ATOM 735 CD GLU A 47 -6.388 -12.276 19.850 1.00 0.00 C ATOM 736 OE1 GLU A 47 -6.270 -13.506 19.740 1.00 0.00 O ATOM 737 OE2 GLU A 47 -5.397 -11.517 19.771 1.00 0.00 O ATOM 0 H GLU A 47 -11.570 -11.389 19.766 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.368 -9.676 18.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.186 -12.725 18.824 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.122 -11.644 17.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.662 -10.627 20.379 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.251 -12.187 20.919 1.00 0.00 H new ATOM 744 N ASN A 48 -9.936 -10.302 16.424 1.00 0.00 N ATOM 745 CA ASN A 48 -10.452 -10.350 15.041 1.00 0.00 C ATOM 746 C ASN A 48 -9.331 -10.883 14.144 1.00 0.00 C ATOM 747 O ASN A 48 -8.203 -10.415 14.242 1.00 0.00 O ATOM 748 CB ASN A 48 -10.879 -8.936 14.546 1.00 0.00 C ATOM 749 CG ASN A 48 -12.019 -8.295 15.345 1.00 0.00 C ATOM 750 OD1 ASN A 48 -13.179 -8.399 15.000 1.00 0.00 O ATOM 751 ND2 ASN A 48 -11.693 -7.638 16.429 1.00 0.00 N ATOM 0 H ASN A 48 -8.989 -9.928 16.485 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.330 -10.994 15.005 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.012 -8.276 14.582 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.181 -9.008 13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.418 -7.203 16.999 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.714 -7.561 16.703 1.00 0.00 H new ATOM 758 N LEU A 49 -9.631 -11.845 13.265 1.00 0.00 N ATOM 759 CA LEU A 49 -8.623 -12.447 12.364 1.00 0.00 C ATOM 760 C LEU A 49 -8.775 -11.828 10.981 1.00 0.00 C ATOM 761 O LEU A 49 -9.885 -11.518 10.561 1.00 0.00 O ATOM 762 CB LEU A 49 -8.774 -13.999 12.292 1.00 0.00 C ATOM 763 CG LEU A 49 -7.446 -14.831 12.327 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.740 -16.334 12.417 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.510 -14.525 11.138 1.00 0.00 C ATOM 0 H LEU A 49 -10.569 -12.231 13.153 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.627 -12.242 12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.400 -14.320 13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.309 -14.248 11.376 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.915 -14.523 13.228 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.801 -16.888 12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.305 -16.540 13.326 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.323 -16.643 11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.608 -15.132 11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.021 -14.757 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.239 -13.469 11.151 1.00 0.00 H new ATOM 777 N TYR A 50 -7.644 -11.620 10.312 1.00 0.00 N ATOM 778 CA TYR A 50 -7.562 -11.052 8.967 1.00 0.00 C ATOM 779 C TYR A 50 -6.681 -11.954 8.105 1.00 0.00 C ATOM 780 O TYR A 50 -5.710 -12.511 8.603 1.00 0.00 O ATOM 781 CB TYR A 50 -6.972 -9.621 9.020 1.00 0.00 C ATOM 782 CG TYR A 50 -7.627 -8.754 10.093 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.950 -8.341 9.967 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.939 -8.381 11.241 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.557 -7.582 10.937 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.543 -7.626 12.211 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.853 -7.225 12.054 1.00 0.00 C ATOM 788 OH TYR A 50 -9.450 -6.444 13.014 1.00 0.00 O ATOM 0 H TYR A 50 -6.730 -11.849 10.702 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.561 -10.991 8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.901 -9.681 9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.096 -9.145 8.048 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.511 -8.623 9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.913 -8.691 11.370 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.584 -7.269 10.819 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.994 -7.345 13.098 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.414 -6.618 13.024 1.00 0.00 H new ATOM 798 N GLY A 51 -7.032 -12.096 6.825 1.00 0.00 N ATOM 799 CA GLY A 51 -6.248 -12.888 5.872 1.00 0.00 C ATOM 800 C GLY A 51 -6.123 -12.174 4.537 1.00 0.00 C ATOM 801 O GLY A 51 -6.814 -11.176 4.325 1.00 0.00 O ATOM 0 H GLY A 51 -7.864 -11.667 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.255 -13.076 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.722 -13.859 5.725 1.00 0.00 H new ATOM 805 N PRO A 52 -5.252 -12.657 3.600 1.00 0.00 N ATOM 806 CA PRO A 52 -5.101 -12.036 2.263 1.00 0.00 C ATOM 807 C PRO A 52 -6.390 -12.211 1.423 1.00 0.00 C ATOM 808 O PRO A 52 -6.750 -13.331 1.050 1.00 0.00 O ATOM 809 CB PRO A 52 -3.886 -12.787 1.654 1.00 0.00 C ATOM 810 CG PRO A 52 -3.859 -14.110 2.365 1.00 0.00 C ATOM 811 CD PRO A 52 -4.357 -13.838 3.769 1.00 0.00 C ATOM 0 HA PRO A 52 -4.940 -10.959 2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.001 -12.918 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.960 -12.234 1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.494 -14.838 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.851 -14.524 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.895 -14.694 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.535 -13.624 4.452 1.00 0.00 H new ATOM 819 N ALA A 53 -7.093 -11.095 1.177 1.00 0.00 N ATOM 820 CA ALA A 53 -8.390 -11.091 0.460 1.00 0.00 C ATOM 821 C ALA A 53 -8.222 -11.462 -1.029 1.00 0.00 C ATOM 822 O ALA A 53 -7.133 -11.265 -1.592 1.00 0.00 O ATOM 823 CB ALA A 53 -9.066 -9.713 0.582 1.00 0.00 C ATOM 0 H ALA A 53 -6.784 -10.167 1.467 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.022 -11.847 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.017 -9.726 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.241 -9.485 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.419 -8.951 0.149 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.195 -3.601 -4.543 1.00 0.00 N ATOM 1023 CA GLU A 67 -0.843 -4.278 -3.281 1.00 0.00 C ATOM 1024 C GLU A 67 -1.974 -5.229 -2.820 1.00 0.00 C ATOM 1025 O GLU A 67 -3.141 -5.075 -3.219 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.545 -3.207 -2.186 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.140 -3.759 -0.800 1.00 0.00 C ATOM 1028 CD GLU A 67 1.208 -4.502 -0.794 1.00 0.00 C ATOM 1029 OE1 GLU A 67 2.242 -3.830 -0.655 1.00 0.00 O ATOM 1030 OE2 GLU A 67 1.240 -5.745 -0.947 1.00 0.00 O ATOM 0 HA GLU A 67 0.047 -4.885 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.254 -2.559 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.431 -2.583 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.091 -2.933 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.918 -4.436 -0.448 1.00 0.00 H new ATOM 1037 N ARG A 68 -1.590 -6.216 -1.991 1.00 0.00 N ATOM 1038 CA ARG A 68 -2.518 -7.117 -1.306 1.00 0.00 C ATOM 1039 C ARG A 68 -3.374 -6.317 -0.293 1.00 0.00 C ATOM 1040 O ARG A 68 -2.864 -5.443 0.426 1.00 0.00 O ATOM 1041 CB ARG A 68 -1.717 -8.252 -0.588 1.00 0.00 C ATOM 1042 CG ARG A 68 -0.935 -7.817 0.687 1.00 0.00 C ATOM 1043 CD ARG A 68 0.169 -8.811 1.093 1.00 0.00 C ATOM 1044 NE ARG A 68 1.340 -8.730 0.186 1.00 0.00 N ATOM 1045 CZ ARG A 68 2.176 -9.739 -0.111 1.00 0.00 C ATOM 1046 NH1 ARG A 68 1.952 -10.969 0.339 1.00 0.00 N ATOM 1047 NH2 ARG A 68 3.230 -9.512 -0.881 1.00 0.00 N ATOM 0 H ARG A 68 -0.611 -6.408 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.188 -7.575 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.412 -9.046 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.010 -8.679 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.487 -6.838 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.636 -7.705 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.486 -8.606 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.231 -9.825 1.081 1.00 0.00 H new ATOM 0 HE ARG A 68 1.527 -7.828 -0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.135 -11.159 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.597 -11.723 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.403 -8.575 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.868 -10.274 -1.110 1.00 0.00 H new ATOM 1061 N ARG A 69 -4.679 -6.584 -0.280 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.609 -6.035 0.704 1.00 0.00 C ATOM 1063 C ARG A 69 -6.178 -7.215 1.485 1.00 0.00 C ATOM 1064 O ARG A 69 -6.248 -8.327 0.958 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.709 -5.213 -0.018 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.619 -4.376 0.907 1.00 0.00 C ATOM 1067 CD ARG A 69 -8.470 -3.362 0.116 1.00 0.00 C ATOM 1068 NE ARG A 69 -7.617 -2.426 -0.653 1.00 0.00 N ATOM 1069 CZ ARG A 69 -7.731 -2.151 -1.965 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -8.670 -2.727 -2.706 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -6.899 -1.285 -2.525 1.00 0.00 N ATOM 0 H ARG A 69 -5.126 -7.196 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.117 -5.351 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.230 -4.543 -0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.333 -5.897 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.276 -5.041 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.006 -3.845 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.134 -3.894 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.102 -2.800 0.804 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.876 -1.947 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.319 -3.390 -2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.742 -2.507 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.179 -0.832 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.979 -1.071 -3.519 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.550 -6.987 2.742 1.00 0.00 N ATOM 1086 CA PHE A 70 -6.963 -8.068 3.655 1.00 0.00 C ATOM 1087 C PHE A 70 -8.479 -8.137 3.756 1.00 0.00 C ATOM 1088 O PHE A 70 -9.182 -7.298 3.215 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.335 -7.868 5.059 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.838 -8.117 5.137 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.964 -7.519 4.236 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.306 -8.942 6.124 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.616 -7.738 4.312 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.956 -9.156 6.198 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.111 -8.553 5.292 1.00 0.00 C ATOM 0 H PHE A 70 -6.576 -6.058 3.161 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.603 -9.013 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.536 -6.848 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.836 -8.534 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.355 -6.872 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.964 -9.417 6.837 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.951 -7.270 3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.553 -9.798 6.967 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.046 -8.723 5.354 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.953 -9.181 4.425 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.368 -9.423 4.705 1.00 0.00 C ATOM 1107 C GLU A 71 -10.495 -9.836 6.167 1.00 0.00 C ATOM 1108 O GLU A 71 -9.604 -10.505 6.700 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.917 -10.545 3.788 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.150 -11.884 3.895 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.828 -13.032 3.148 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.903 -13.463 3.596 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -10.288 -13.522 2.141 1.00 0.00 O ATOM 0 H GLU A 71 -8.345 -9.908 4.801 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.946 -8.519 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.965 -10.719 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.884 -10.202 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.142 -11.750 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.049 -12.154 4.946 1.00 0.00 H new ATOM 1120 N THR A 72 -11.589 -9.441 6.813 1.00 0.00 N ATOM 1121 CA THR A 72 -11.859 -9.825 8.193 1.00 0.00 C ATOM 1122 C THR A 72 -12.423 -11.262 8.208 1.00 0.00 C ATOM 1123 O THR A 72 -13.579 -11.486 7.826 1.00 0.00 O ATOM 1124 CB THR A 72 -12.847 -8.828 8.863 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.410 -7.490 8.597 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.955 -9.043 10.387 1.00 0.00 C ATOM 0 H THR A 72 -12.308 -8.850 6.397 1.00 0.00 H new ATOM 0 HA THR A 72 -10.933 -9.795 8.768 1.00 0.00 H new ATOM 0 HB THR A 72 -13.837 -9.003 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.490 -7.507 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.657 -8.322 10.807 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.309 -10.054 10.588 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.975 -8.905 10.844 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.557 -12.231 8.565 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.918 -13.649 8.670 1.00 0.00 C ATOM 1136 C ARG A 73 -12.876 -13.862 9.852 1.00 0.00 C ATOM 1137 O ARG A 73 -14.074 -14.096 9.665 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.634 -14.523 8.832 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.663 -14.491 7.631 1.00 0.00 C ATOM 1140 CD ARG A 73 -10.345 -14.915 6.317 1.00 0.00 C ATOM 1141 NE ARG A 73 -11.035 -16.221 6.420 1.00 0.00 N ATOM 1142 CZ ARG A 73 -11.753 -16.800 5.441 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -11.858 -16.241 4.242 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -12.362 -17.950 5.671 1.00 0.00 N ATOM 0 H ARG A 73 -10.580 -12.044 8.790 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.426 -13.955 7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.098 -14.192 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.936 -15.555 9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.259 -13.485 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.820 -15.153 7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.066 -14.151 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.597 -14.967 5.526 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.960 -16.722 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.389 -15.356 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.407 -16.697 3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.286 -18.393 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.908 -18.394 4.933 1.00 0.00 H new ATOM 1158 N LEU A 74 -12.329 -13.748 11.067 1.00 0.00 N ATOM 1159 CA LEU A 74 -13.086 -13.878 12.321 1.00 0.00 C ATOM 1160 C LEU A 74 -13.269 -12.487 12.936 1.00 0.00 C ATOM 1161 O LEU A 74 -12.478 -11.577 12.651 1.00 0.00 O ATOM 1162 CB LEU A 74 -12.312 -14.800 13.292 1.00 0.00 C ATOM 1163 CG LEU A 74 -12.074 -16.267 12.805 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -11.098 -17.007 13.737 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.409 -17.043 12.676 1.00 0.00 C ATOM 0 H LEU A 74 -11.337 -13.561 11.211 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.065 -14.316 12.128 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.343 -14.345 13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.854 -14.836 14.237 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.623 -16.215 11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.950 -18.025 13.375 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.142 -16.484 13.751 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.510 -17.037 14.746 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.208 -18.059 12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.905 -17.077 13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.054 -16.540 11.956 1.00 0.00 H new ATOM 1177 N ALA A 75 -14.286 -12.328 13.794 1.00 0.00 N ATOM 1178 CA ALA A 75 -14.583 -11.040 14.437 1.00 0.00 C ATOM 1179 C ALA A 75 -15.276 -11.231 15.792 1.00 0.00 C ATOM 1180 O ALA A 75 -16.195 -12.052 15.909 1.00 0.00 O ATOM 1181 CB ALA A 75 -15.428 -10.151 13.514 1.00 0.00 C ATOM 0 H ALA A 75 -14.921 -13.081 14.060 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.633 -10.539 14.622 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.635 -9.203 14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.882 -9.964 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.368 -10.654 13.285 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.809 -10.456 16.804 1.00 0.00 N ATOM 1188 CA GLY A 76 -15.310 -10.528 18.189 1.00 0.00 C ATOM 1189 C GLY A 76 -15.183 -11.916 18.803 1.00 0.00 C ATOM 1190 O GLY A 76 -15.980 -12.320 19.657 1.00 0.00 O ATOM 0 H GLY A 76 -14.072 -9.763 16.675 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.762 -9.814 18.804 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.357 -10.225 18.206 1.00 0.00 H new ATOM 1194 N VAL A 77 -14.146 -12.619 18.362 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.832 -13.998 18.760 1.00 0.00 C ATOM 1196 C VAL A 77 -12.739 -13.951 19.833 1.00 0.00 C ATOM 1197 O VAL A 77 -12.529 -12.912 20.416 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.381 -14.852 17.519 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.533 -15.027 16.498 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.125 -14.249 16.850 1.00 0.00 C ATOM 0 H VAL A 77 -13.475 -12.238 17.695 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.721 -14.480 19.167 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.118 -15.844 17.885 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.184 -15.622 15.654 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.371 -15.533 16.978 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.856 -14.048 16.143 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.838 -14.862 15.996 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.343 -13.236 16.513 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.306 -14.223 17.569 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.082 -15.068 20.139 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.967 -15.087 21.114 1.00 0.00 C ATOM 1212 C GLU A 78 -9.723 -15.752 20.512 1.00 0.00 C ATOM 1213 O GLU A 78 -9.777 -16.269 19.393 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.433 -15.799 22.404 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.928 -17.239 22.201 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.433 -17.877 23.502 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -11.607 -18.420 24.261 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -13.648 -17.801 23.789 1.00 0.00 O ATOM 0 H GLU A 78 -12.295 -15.978 19.731 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.685 -14.064 21.365 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.607 -15.810 23.115 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.234 -15.214 22.856 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.730 -17.243 21.463 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.118 -17.844 21.794 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.617 -15.750 21.289 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.338 -16.341 20.862 1.00 0.00 C ATOM 1227 C GLY A 79 -7.419 -17.836 20.562 1.00 0.00 C ATOM 1228 O GLY A 79 -6.614 -18.363 19.787 1.00 0.00 O ATOM 0 H GLY A 79 -8.590 -15.341 22.223 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.987 -15.820 19.971 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.594 -16.176 21.642 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.406 -18.506 21.184 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.735 -19.909 20.901 1.00 0.00 C ATOM 1234 C GLU A 80 -9.188 -20.068 19.439 1.00 0.00 C ATOM 1235 O GLU A 80 -8.680 -20.924 18.710 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.850 -20.402 21.859 1.00 0.00 C ATOM 1237 CG GLU A 80 -10.230 -21.888 21.711 1.00 0.00 C ATOM 1238 CD GLU A 80 -9.065 -22.838 22.029 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -8.847 -23.157 23.217 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -8.349 -23.270 21.097 1.00 0.00 O ATOM 0 H GLU A 80 -8.998 -18.085 21.900 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.842 -20.513 21.059 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.529 -20.226 22.886 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.742 -19.797 21.695 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.066 -22.112 22.374 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.573 -22.070 20.693 1.00 0.00 H new ATOM 1247 N GLU A 81 -10.115 -19.187 19.029 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.708 -19.190 17.680 1.00 0.00 C ATOM 1249 C GLU A 81 -9.672 -18.810 16.616 1.00 0.00 C ATOM 1250 O GLU A 81 -9.674 -19.367 15.506 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.896 -18.204 17.628 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.947 -18.414 18.733 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.589 -19.804 18.707 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.468 -20.043 17.857 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.208 -20.673 19.527 1.00 0.00 O ATOM 0 H GLU A 81 -10.478 -18.446 19.629 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.059 -20.200 17.467 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.511 -17.187 17.698 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.384 -18.294 16.658 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.478 -18.257 19.704 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.727 -17.660 18.630 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.784 -17.863 16.970 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.740 -17.389 16.057 1.00 0.00 C ATOM 1264 C ILE A 82 -6.760 -18.530 15.757 1.00 0.00 C ATOM 1265 O ILE A 82 -6.601 -18.927 14.601 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.939 -16.155 16.617 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.884 -14.982 17.041 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.904 -15.688 15.570 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.691 -14.353 15.922 1.00 0.00 C ATOM 0 H ILE A 82 -8.773 -17.413 17.885 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.245 -17.060 15.149 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.416 -16.472 17.519 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.574 -15.352 17.799 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.281 -14.205 17.511 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.351 -14.834 15.961 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.211 -16.501 15.356 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.419 -15.399 14.654 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.311 -13.552 16.326 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.015 -13.945 15.171 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.329 -15.109 15.464 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.168 -19.083 16.830 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.184 -20.180 16.746 1.00 0.00 C ATOM 1283 C ALA A 83 -5.805 -21.455 16.147 1.00 0.00 C ATOM 1284 O ALA A 83 -5.090 -22.290 15.584 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.589 -20.462 18.133 1.00 0.00 C ATOM 0 H ALA A 83 -6.359 -18.781 17.785 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.384 -19.865 16.076 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.864 -21.273 18.060 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.094 -19.565 18.506 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.386 -20.748 18.819 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.143 -21.583 16.276 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.916 -22.671 15.656 1.00 0.00 C ATOM 1293 C ALA A 84 -7.824 -22.605 14.124 1.00 0.00 C ATOM 1294 O ALA A 84 -7.576 -23.625 13.470 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.378 -22.621 16.113 1.00 0.00 C ATOM 0 H ALA A 84 -7.715 -20.932 16.814 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.487 -23.619 15.979 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.934 -23.433 15.644 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.424 -22.728 17.197 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.817 -21.666 15.824 1.00 0.00 H new ATOM 1301 N LEU A 85 -8.001 -21.398 13.551 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.896 -21.213 12.095 1.00 0.00 C ATOM 1303 C LEU A 85 -6.427 -21.257 11.646 1.00 0.00 C ATOM 1304 O LEU A 85 -6.126 -21.829 10.613 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.517 -19.890 11.602 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.490 -19.725 10.032 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.871 -19.894 9.400 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.785 -18.433 9.589 1.00 0.00 C ATOM 0 H LEU A 85 -8.215 -20.546 14.070 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.459 -22.035 11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.549 -19.832 11.947 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.982 -19.056 12.056 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.884 -20.546 9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.794 -19.771 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.255 -20.889 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.550 -19.143 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.794 -18.368 8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.306 -17.572 10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.754 -18.441 9.943 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.526 -20.637 12.431 1.00 0.00 N ATOM 1321 CA LEU A 86 -4.067 -20.618 12.136 1.00 0.00 C ATOM 1322 C LEU A 86 -3.508 -22.057 12.045 1.00 0.00 C ATOM 1323 O LEU A 86 -2.561 -22.316 11.305 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.294 -19.805 13.208 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.717 -18.306 13.383 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.864 -17.611 14.449 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.698 -17.538 12.039 1.00 0.00 C ATOM 0 H LEU A 86 -5.779 -20.137 13.283 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.927 -20.131 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.411 -20.308 14.168 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.233 -19.834 12.960 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.749 -18.298 13.732 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.180 -16.573 14.548 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.989 -18.121 15.404 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.815 -17.644 14.154 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.998 -16.504 12.207 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.692 -17.561 11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.391 -18.008 11.342 1.00 0.00 H new ATOM 1339 N GLU A 87 -4.154 -22.968 12.792 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.902 -24.408 12.771 1.00 0.00 C ATOM 1341 C GLU A 87 -4.358 -25.035 11.430 1.00 0.00 C ATOM 1342 O GLU A 87 -3.669 -25.893 10.864 1.00 0.00 O ATOM 1343 CB GLU A 87 -4.663 -25.028 13.979 1.00 0.00 C ATOM 1344 CG GLU A 87 -4.941 -26.530 13.908 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.679 -27.408 14.008 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -3.125 -27.544 15.122 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -3.220 -27.954 12.977 1.00 0.00 O ATOM 0 H GLU A 87 -4.890 -22.707 13.448 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.834 -24.611 12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.088 -24.829 14.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.615 -24.509 14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.624 -26.801 14.713 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.451 -26.750 12.970 1.00 0.00 H new ATOM 1354 N ARG A 88 -5.523 -24.601 10.934 1.00 0.00 N ATOM 1355 CA ARG A 88 -6.115 -25.141 9.697 1.00 0.00 C ATOM 1356 C ARG A 88 -5.330 -24.655 8.466 1.00 0.00 C ATOM 1357 O ARG A 88 -4.844 -25.462 7.683 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.608 -24.734 9.622 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.485 -25.442 10.679 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.900 -24.844 10.791 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.804 -25.688 11.602 1.00 0.00 N ATOM 1362 CZ ARG A 88 -10.757 -25.851 12.938 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -9.822 -25.272 13.677 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -11.647 -26.623 13.530 1.00 0.00 N ATOM 0 H ARG A 88 -6.082 -23.870 11.374 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.055 -26.229 9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.691 -23.655 9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.991 -24.964 8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.563 -26.500 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.993 -25.381 11.650 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.838 -23.851 11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.320 -24.721 9.793 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.533 -26.196 11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.114 -24.685 13.236 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.810 -25.413 14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.364 -27.092 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.618 -26.752 14.541 1.00 0.00 H new ATOM 1378 N GLU A 89 -5.160 -23.334 8.367 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.520 -22.665 7.225 1.00 0.00 C ATOM 1380 C GLU A 89 -3.049 -23.064 7.070 1.00 0.00 C ATOM 1381 O GLU A 89 -2.561 -23.125 5.953 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.632 -21.128 7.372 1.00 0.00 C ATOM 1383 CG GLU A 89 -6.063 -20.599 7.494 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.986 -20.981 6.328 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.918 -20.329 5.258 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.784 -21.936 6.468 1.00 0.00 O ATOM 0 H GLU A 89 -5.468 -22.685 9.091 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.047 -22.988 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.069 -20.819 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.158 -20.659 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.497 -20.973 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.029 -19.512 7.573 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.349 -23.301 8.201 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.925 -23.746 8.176 1.00 0.00 C ATOM 1395 C ARG A 90 -0.785 -25.142 7.531 1.00 0.00 C ATOM 1396 O ARG A 90 0.245 -25.457 6.928 1.00 0.00 O ATOM 1397 CB ARG A 90 -0.289 -23.759 9.595 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.746 -24.935 10.481 1.00 0.00 C ATOM 1399 CD ARG A 90 -0.139 -24.943 11.886 1.00 0.00 C ATOM 1400 NE ARG A 90 -0.623 -26.108 12.659 1.00 0.00 N ATOM 1401 CZ ARG A 90 0.152 -26.981 13.321 1.00 0.00 C ATOM 1402 NH1 ARG A 90 1.469 -26.863 13.311 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.401 -27.982 13.982 1.00 0.00 N ATOM 0 H ARG A 90 -2.737 -23.195 9.139 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.386 -23.018 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.796 -23.794 9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.532 -22.823 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.832 -24.907 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.490 -25.870 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.948 -24.972 11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.401 -24.021 12.406 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.631 -26.261 12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.909 -26.101 12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.045 -27.534 13.819 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.415 -28.090 13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.186 -28.647 14.486 1.00 0.00 H new ATOM 1417 N ARG A 91 -1.832 -25.975 7.686 1.00 0.00 N ATOM 1418 CA ARG A 91 -1.869 -27.340 7.137 1.00 0.00 C ATOM 1419 C ARG A 91 -1.882 -27.290 5.598 1.00 0.00 C ATOM 1420 O ARG A 91 -1.204 -28.083 4.941 1.00 0.00 O ATOM 1421 CB ARG A 91 -3.099 -28.104 7.721 1.00 0.00 C ATOM 1422 CG ARG A 91 -3.328 -29.554 7.201 1.00 0.00 C ATOM 1423 CD ARG A 91 -4.216 -29.636 5.940 1.00 0.00 C ATOM 1424 NE ARG A 91 -4.268 -31.004 5.399 1.00 0.00 N ATOM 1425 CZ ARG A 91 -5.308 -31.555 4.759 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -6.466 -30.910 4.654 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -5.189 -32.765 4.241 1.00 0.00 N ATOM 0 H ARG A 91 -2.677 -25.718 8.197 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.973 -27.887 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.993 -28.143 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.995 -27.520 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.361 -30.007 6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.785 -30.145 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.225 -29.302 6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.830 -28.958 5.179 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.438 -31.584 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.572 -29.982 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.248 -31.343 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.309 -33.274 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.977 -33.190 3.752 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.657 -26.349 5.042 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.750 -26.139 3.588 1.00 0.00 C ATOM 1443 C PHE A 92 -1.524 -25.343 3.083 1.00 0.00 C ATOM 1444 O PHE A 92 -0.922 -25.688 2.062 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.075 -25.402 3.255 1.00 0.00 C ATOM 1446 CG PHE A 92 -5.334 -26.174 3.667 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.931 -27.092 2.806 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -5.913 -25.983 4.916 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -7.064 -27.788 3.185 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.044 -26.676 5.296 1.00 0.00 C ATOM 1451 CZ PHE A 92 -7.621 -27.578 4.430 1.00 0.00 C ATOM 0 H PHE A 92 -3.238 -25.711 5.586 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.753 -27.103 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.076 -24.433 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.113 -25.209 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.503 -27.262 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.469 -25.278 5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.514 -28.497 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.476 -26.511 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.508 -28.120 4.725 1.00 0.00 H new ATOM 1461 N ASP A 93 -1.143 -24.315 3.854 1.00 0.00 N ATOM 1462 CA ASP A 93 -0.064 -23.374 3.513 1.00 0.00 C ATOM 1463 C ASP A 93 0.722 -23.007 4.783 1.00 0.00 C ATOM 1464 O ASP A 93 0.315 -22.138 5.559 1.00 0.00 O ATOM 1465 CB ASP A 93 -0.635 -22.096 2.830 1.00 0.00 C ATOM 1466 CG ASP A 93 0.445 -21.038 2.511 1.00 0.00 C ATOM 1467 OD1 ASP A 93 1.433 -21.384 1.830 1.00 0.00 O ATOM 1468 OD2 ASP A 93 0.308 -19.865 2.919 1.00 0.00 O ATOM 0 H ASP A 93 -1.584 -24.109 4.750 1.00 0.00 H new ATOM 0 HA ASP A 93 0.610 -23.855 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.139 -22.381 1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.389 -21.651 3.480 1.00 0.00 H new ATOM 1473 N SER A 94 1.847 -23.706 4.996 1.00 0.00 N ATOM 1474 CA SER A 94 2.758 -23.459 6.129 1.00 0.00 C ATOM 1475 C SER A 94 3.629 -22.206 5.874 1.00 0.00 C ATOM 1476 O SER A 94 4.326 -21.730 6.776 1.00 0.00 O ATOM 1477 CB SER A 94 3.635 -24.712 6.369 1.00 0.00 C ATOM 1478 OG SER A 94 4.464 -24.564 7.510 1.00 0.00 O ATOM 0 H SER A 94 2.154 -24.463 4.385 1.00 0.00 H new ATOM 0 HA SER A 94 2.169 -23.267 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.995 -25.585 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.254 -24.896 5.491 1.00 0.00 H new ATOM 0 HG SER A 94 4.656 -23.614 7.654 1.00 0.00 H new ATOM 1484 N ASP A 95 3.566 -21.667 4.637 1.00 0.00 N ATOM 1485 CA ASP A 95 4.292 -20.441 4.245 1.00 0.00 C ATOM 1486 C ASP A 95 3.520 -19.168 4.604 1.00 0.00 C ATOM 1487 O ASP A 95 3.928 -18.067 4.211 1.00 0.00 O ATOM 1488 CB ASP A 95 4.633 -20.472 2.733 1.00 0.00 C ATOM 1489 CG ASP A 95 5.801 -21.419 2.416 1.00 0.00 C ATOM 1490 OD1 ASP A 95 6.944 -21.105 2.804 1.00 0.00 O ATOM 1491 OD2 ASP A 95 5.584 -22.490 1.811 1.00 0.00 O ATOM 0 H ASP A 95 3.010 -22.070 3.883 1.00 0.00 H new ATOM 0 HA ASP A 95 5.221 -20.419 4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.753 -20.784 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.884 -19.465 2.399 1.00 0.00 H new ATOM 1496 N LEU A 96 2.435 -19.311 5.373 1.00 0.00 N ATOM 1497 CA LEU A 96 1.683 -18.165 5.891 1.00 0.00 C ATOM 1498 C LEU A 96 2.457 -17.515 7.067 1.00 0.00 C ATOM 1499 O LEU A 96 3.271 -18.174 7.734 1.00 0.00 O ATOM 1500 CB LEU A 96 0.222 -18.606 6.275 1.00 0.00 C ATOM 1501 CG LEU A 96 -0.072 -19.102 7.736 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -0.376 -17.933 8.703 1.00 0.00 C ATOM 1503 CD2 LEU A 96 -1.228 -20.106 7.754 1.00 0.00 C ATOM 0 H LEU A 96 2.057 -20.216 5.651 1.00 0.00 H new ATOM 0 HA LEU A 96 1.583 -17.401 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.438 -17.761 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.069 -19.405 5.593 1.00 0.00 H new ATOM 0 HG LEU A 96 0.835 -19.595 8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.573 -18.327 9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.481 -17.260 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.251 -17.387 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.410 -20.433 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.127 -19.633 7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.971 -20.968 7.138 1.00 0.00 H new ATOM 1515 N TRP A 97 2.199 -16.218 7.292 1.00 0.00 N ATOM 1516 CA TRP A 97 2.789 -15.428 8.390 1.00 0.00 C ATOM 1517 C TRP A 97 1.696 -15.047 9.380 1.00 0.00 C ATOM 1518 O TRP A 97 0.618 -14.638 8.963 1.00 0.00 O ATOM 1519 CB TRP A 97 3.428 -14.124 7.848 1.00 0.00 C ATOM 1520 CG TRP A 97 4.600 -14.329 6.931 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.627 -15.035 5.765 1.00 0.00 C ATOM 1522 CD2 TRP A 97 5.906 -13.780 7.092 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.877 -14.997 5.231 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.677 -14.221 6.013 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.495 -12.966 8.052 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 8.006 -13.882 5.860 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.818 -12.621 7.902 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.559 -13.083 6.811 1.00 0.00 C ATOM 0 H TRP A 97 1.563 -15.676 6.707 1.00 0.00 H new ATOM 0 HA TRP A 97 3.556 -16.033 8.873 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.664 -13.556 7.317 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.748 -13.515 8.693 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.782 -15.548 5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.169 -15.475 4.379 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.926 -12.612 8.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.583 -14.237 5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.290 -11.985 8.636 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.597 -12.798 6.721 1.00 0.00 H new ATOM 1539 N VAL A 98 1.968 -15.182 10.678 1.00 0.00 N ATOM 1540 CA VAL A 98 1.065 -14.689 11.721 1.00 0.00 C ATOM 1541 C VAL A 98 1.705 -13.481 12.404 1.00 0.00 C ATOM 1542 O VAL A 98 2.848 -13.559 12.850 1.00 0.00 O ATOM 1543 CB VAL A 98 0.709 -15.778 12.792 1.00 0.00 C ATOM 1544 CG1 VAL A 98 -0.253 -15.201 13.858 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.102 -17.038 12.134 1.00 0.00 C ATOM 0 H VAL A 98 2.811 -15.631 11.035 1.00 0.00 H new ATOM 0 HA VAL A 98 0.129 -14.411 11.237 1.00 0.00 H new ATOM 0 HB VAL A 98 1.635 -16.074 13.285 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.488 -15.972 14.592 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.222 -14.357 14.358 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.172 -14.867 13.376 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.133 -17.773 12.904 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.809 -16.767 11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.820 -17.464 11.433 1.00 0.00 H new ATOM 1555 N VAL A 99 0.971 -12.361 12.435 1.00 0.00 N ATOM 1556 CA VAL A 99 1.342 -11.164 13.211 1.00 0.00 C ATOM 1557 C VAL A 99 0.225 -10.896 14.217 1.00 0.00 C ATOM 1558 O VAL A 99 -0.938 -10.771 13.827 1.00 0.00 O ATOM 1559 CB VAL A 99 1.547 -9.875 12.310 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.117 -8.681 13.130 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.433 -10.191 11.088 1.00 0.00 C ATOM 0 H VAL A 99 0.097 -12.256 11.920 1.00 0.00 H new ATOM 0 HA VAL A 99 2.297 -11.361 13.698 1.00 0.00 H new ATOM 0 HB VAL A 99 0.566 -9.572 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.243 -7.818 12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.426 -8.429 13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.082 -8.959 13.554 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.558 -9.291 10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.409 -10.540 11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.959 -10.966 10.486 1.00 0.00 H new ATOM 1571 N GLU A 100 0.566 -10.848 15.503 1.00 0.00 N ATOM 1572 CA GLU A 100 -0.362 -10.376 16.533 1.00 0.00 C ATOM 1573 C GLU A 100 -0.225 -8.853 16.635 1.00 0.00 C ATOM 1574 O GLU A 100 0.889 -8.333 16.683 1.00 0.00 O ATOM 1575 CB GLU A 100 -0.085 -11.054 17.899 1.00 0.00 C ATOM 1576 CG GLU A 100 1.338 -10.852 18.460 1.00 0.00 C ATOM 1577 CD GLU A 100 1.497 -11.421 19.872 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.117 -10.734 20.842 1.00 0.00 O ATOM 1579 OE2 GLU A 100 1.970 -12.564 20.024 1.00 0.00 O ATOM 0 H GLU A 100 1.479 -11.130 15.859 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.382 -10.641 16.256 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.802 -10.673 18.627 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.270 -12.124 17.799 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.058 -11.330 17.796 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.573 -9.788 18.472 1.00 0.00 H new ATOM 1586 N ILE A 101 -1.356 -8.148 16.584 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.420 -6.690 16.755 1.00 0.00 C ATOM 1588 C ILE A 101 -2.451 -6.372 17.859 1.00 0.00 C ATOM 1589 O ILE A 101 -3.551 -6.924 17.867 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.778 -5.930 15.405 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.178 -6.335 14.860 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.692 -6.166 14.316 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.649 -5.542 13.665 1.00 0.00 C ATOM 0 H ILE A 101 -2.267 -8.576 16.421 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.433 -6.332 17.046 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.806 -4.867 15.645 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.155 -7.391 14.591 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.909 -6.226 15.661 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.967 -5.633 13.406 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.269 -5.799 14.675 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.616 -7.232 14.103 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.633 -5.896 13.358 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.710 -4.486 13.930 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.945 -5.670 12.843 1.00 0.00 H new ATOM 1605 N GLU A 102 -2.074 -5.524 18.819 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.948 -5.135 19.933 1.00 0.00 C ATOM 1607 C GLU A 102 -3.494 -3.730 19.661 1.00 0.00 C ATOM 1608 O GLU A 102 -2.752 -2.745 19.748 1.00 0.00 O ATOM 1609 CB GLU A 102 -2.175 -5.197 21.274 1.00 0.00 C ATOM 1610 CG GLU A 102 -3.034 -4.896 22.516 1.00 0.00 C ATOM 1611 CD GLU A 102 -2.240 -4.971 23.831 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -1.612 -3.958 24.219 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -2.227 -6.044 24.475 1.00 0.00 O ATOM 0 H GLU A 102 -1.153 -5.086 18.848 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.784 -5.829 20.013 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.737 -6.189 21.382 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.349 -4.486 21.237 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.469 -3.901 22.417 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.862 -5.603 22.558 1.00 0.00 H new ATOM 1620 N THR A 103 -4.781 -3.659 19.294 1.00 0.00 N ATOM 1621 CA THR A 103 -5.445 -2.402 18.921 1.00 0.00 C ATOM 1622 C THR A 103 -6.972 -2.580 18.906 1.00 0.00 C ATOM 1623 O THR A 103 -7.480 -3.706 18.847 1.00 0.00 O ATOM 1624 CB THR A 103 -4.966 -1.901 17.510 1.00 0.00 C ATOM 1625 OG1 THR A 103 -5.567 -0.630 17.201 1.00 0.00 O ATOM 1626 CG2 THR A 103 -5.289 -2.921 16.390 1.00 0.00 C ATOM 0 H THR A 103 -5.393 -4.474 19.247 1.00 0.00 H new ATOM 0 HA THR A 103 -5.174 -1.656 19.668 1.00 0.00 H new ATOM 0 HB THR A 103 -3.883 -1.791 17.557 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.947 -0.659 16.298 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.940 -2.533 15.433 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.788 -3.866 16.603 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.366 -3.083 16.345 1.00 0.00 H new ATOM 1634 N ASP A 104 -7.683 -1.448 18.952 1.00 0.00 N ATOM 1635 CA ASP A 104 -9.147 -1.373 18.759 1.00 0.00 C ATOM 1636 C ASP A 104 -9.459 -0.848 17.349 1.00 0.00 C ATOM 1637 O ASP A 104 -10.479 -1.190 16.742 1.00 0.00 O ATOM 1638 CB ASP A 104 -9.788 -0.449 19.824 1.00 0.00 C ATOM 1639 CG ASP A 104 -9.208 0.982 19.810 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -8.066 1.167 20.291 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -9.870 1.909 19.312 1.00 0.00 O ATOM 0 H ASP A 104 -7.255 -0.539 19.127 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.567 -2.372 18.871 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.864 -0.401 19.655 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.640 -0.885 20.812 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.538 -0.023 16.842 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.657 0.672 15.556 1.00 0.00 C ATOM 1648 C GLU A 105 -7.786 -0.046 14.520 1.00 0.00 C ATOM 1649 O GLU A 105 -6.565 0.106 14.502 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.259 2.168 15.736 1.00 0.00 C ATOM 1651 CG GLU A 105 -6.996 2.391 16.606 1.00 0.00 C ATOM 1652 CD GLU A 105 -6.683 3.863 16.871 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -7.334 4.468 17.750 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -5.795 4.431 16.203 1.00 0.00 O ATOM 0 H GLU A 105 -7.666 0.186 17.327 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.686 0.652 15.197 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.091 2.608 14.753 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.095 2.703 16.186 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.128 1.880 17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.140 1.930 16.113 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.424 -0.880 13.693 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.728 -1.677 12.673 1.00 0.00 C ATOM 1663 C ILE A 106 -7.506 -0.854 11.386 1.00 0.00 C ATOM 1664 O ILE A 106 -6.448 -0.957 10.758 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.504 -3.016 12.360 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.723 -3.893 11.331 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -9.955 -2.757 11.892 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.397 -4.400 11.837 1.00 0.00 C ATOM 0 H ILE A 106 -9.434 -1.023 13.710 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.752 -1.947 13.075 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.569 -3.572 13.295 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.343 -4.745 11.051 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.555 -3.310 10.426 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.447 -3.708 11.689 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.500 -2.226 12.673 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.942 -2.154 10.984 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.918 -5.000 11.064 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.757 -3.555 12.089 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.556 -5.012 12.725 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.477 0.023 11.059 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.519 0.707 9.758 1.00 0.00 C ATOM 1682 C GLY A 107 -7.394 1.714 9.537 1.00 0.00 C ATOM 1683 O GLY A 107 -7.130 2.110 8.403 1.00 0.00 O ATOM 0 H GLY A 107 -9.244 0.272 11.684 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.480 -0.042 8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.475 1.222 9.663 1.00 0.00 H new ATOM 1687 N THR A 108 -6.731 2.126 10.621 1.00 0.00 N ATOM 1688 CA THR A 108 -5.617 3.089 10.566 1.00 0.00 C ATOM 1689 C THR A 108 -4.274 2.386 10.275 1.00 0.00 C ATOM 1690 O THR A 108 -3.371 2.978 9.672 1.00 0.00 O ATOM 1691 CB THR A 108 -5.538 3.896 11.905 1.00 0.00 C ATOM 1692 OG1 THR A 108 -4.476 4.859 11.859 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.351 2.986 13.130 1.00 0.00 C ATOM 0 H THR A 108 -6.948 1.804 11.564 1.00 0.00 H new ATOM 0 HA THR A 108 -5.809 3.780 9.745 1.00 0.00 H new ATOM 0 HB THR A 108 -6.494 4.409 12.012 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.446 5.353 12.705 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.302 3.596 14.032 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.192 2.297 13.203 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.426 2.420 13.025 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.168 1.105 10.671 1.00 0.00 N ATOM 1702 CA LEU A 109 -2.882 0.374 10.693 1.00 0.00 C ATOM 1703 C LEU A 109 -2.896 -0.901 9.827 1.00 0.00 C ATOM 1704 O LEU A 109 -1.866 -1.555 9.700 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.489 0.100 12.178 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.615 -0.450 13.127 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -3.845 -1.960 12.960 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.333 -0.097 14.605 1.00 0.00 C ATOM 0 H LEU A 109 -4.963 0.548 10.983 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.115 0.997 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.664 -0.612 12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.111 1.029 12.605 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.537 0.048 12.827 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.633 -2.285 13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.142 -2.171 11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.924 -2.496 13.189 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.132 -0.493 15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.382 -0.535 14.909 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.286 0.986 14.718 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.051 -1.232 9.227 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.189 -2.358 8.280 1.00 0.00 C ATOM 1722 C LEU A 110 -5.453 -2.146 7.431 1.00 0.00 C ATOM 1723 O LEU A 110 -6.502 -1.745 7.956 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.265 -3.724 9.021 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.392 -4.992 8.112 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.170 -5.145 7.188 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.640 -6.273 8.946 1.00 0.00 C ATOM 0 H LEU A 110 -4.922 -0.725 9.384 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.307 -2.383 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.372 -3.831 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.118 -3.700 9.699 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.266 -4.849 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.290 -6.035 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.086 -4.267 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.267 -5.241 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.722 -7.131 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.808 -6.426 9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.564 -6.164 9.513 1.00 0.00 H new ATOM 1739 N THR A 111 -5.349 -2.416 6.119 1.00 0.00 N ATOM 1740 CA THR A 111 -6.447 -2.183 5.165 1.00 0.00 C ATOM 1741 C THR A 111 -7.260 -3.470 4.930 1.00 0.00 C ATOM 1742 O THR A 111 -6.684 -4.541 4.692 1.00 0.00 O ATOM 1743 CB THR A 111 -5.910 -1.658 3.799 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.019 -0.554 4.024 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.068 -1.212 2.885 1.00 0.00 C ATOM 0 H THR A 111 -4.506 -2.800 5.691 1.00 0.00 H new ATOM 0 HA THR A 111 -7.095 -1.425 5.605 1.00 0.00 H new ATOM 0 HB THR A 111 -5.375 -2.469 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.681 -0.226 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.666 -0.850 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.730 -2.057 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.628 -0.413 3.371 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.603 -3.343 4.977 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.543 -4.472 4.809 1.00 0.00 C ATOM 1755 C LEU A 112 -10.578 -4.157 3.723 1.00 0.00 C ATOM 1756 O LEU A 112 -10.915 -2.994 3.499 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.264 -4.766 6.152 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.314 -5.005 7.365 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.054 -4.888 8.690 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.589 -6.352 7.240 1.00 0.00 C ATOM 0 H LEU A 112 -9.068 -2.449 5.133 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.975 -5.351 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.924 -3.930 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.896 -5.645 6.024 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.558 -4.220 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.359 -5.061 9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.482 -3.890 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.852 -5.630 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.933 -6.493 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.322 -7.158 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.996 -6.363 6.325 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.068 -5.211 3.060 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.180 -5.134 2.105 1.00 0.00 C ATOM 1774 C VAL A 113 -13.524 -5.230 2.854 1.00 0.00 C ATOM 1775 O VAL A 113 -14.548 -4.746 2.373 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.092 -6.275 1.008 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -10.838 -6.102 0.125 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.104 -7.691 1.637 1.00 0.00 C ATOM 0 H VAL A 113 -10.698 -6.155 3.173 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.112 -4.174 1.594 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.981 -6.178 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.804 -6.899 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.878 -5.137 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.945 -6.149 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.042 -8.440 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.251 -7.799 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.027 -7.832 2.199 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.490 -5.857 4.049 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.687 -6.170 4.842 1.00 0.00 C ATOM 1790 C ASP A 114 -15.094 -4.977 5.723 1.00 0.00 C ATOM 1791 O ASP A 114 -16.155 -4.387 5.510 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.430 -7.434 5.707 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.664 -7.871 6.529 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.539 -8.573 5.973 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.763 -7.517 7.727 1.00 0.00 O ATOM 0 H ASP A 114 -12.622 -6.161 4.490 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.513 -6.372 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.125 -8.255 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.600 -7.239 6.386 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.237 -4.628 6.707 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.534 -3.565 7.688 1.00 0.00 C ATOM 1802 C GLN A 115 -14.663 -2.174 7.025 1.00 0.00 C ATOM 1803 O GLN A 115 -13.933 -1.872 6.065 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.449 -3.512 8.801 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.467 -4.701 9.775 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.754 -4.799 10.581 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.716 -5.442 10.165 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -14.785 -4.153 11.733 1.00 0.00 N ATOM 0 H GLN A 115 -13.328 -5.071 6.842 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.496 -3.817 8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.467 -3.461 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.577 -2.592 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.327 -5.624 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.623 -4.614 10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.968 -3.630 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.626 -4.178 12.309 1.00 0.00 H new