USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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 144 MET CE :methyl 153:sc= -5.28! (180deg=-3.33!) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= -0.572 USER MOD Set 2.1: A 124 MET CE :methyl -169:sc= -2.72 (180deg=-3.2!) USER MOD Set 2.2: B1916 TYR OH : rot 18:sc= 0.124 USER MOD Single : A 81 SER OG : rot -13:sc= 0.594 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.171 F(o=-0.96,f=-0.17) USER MOD Single : A 109 MET CE :methyl 150:sc= -0.433 (180deg=-1.67) USER MOD Single : A 110 THR OG1 : rot -115:sc= 0.946 USER MOD Single : A 111 ASN : amide:sc= -0.095 X(o=-0.095,f=-0.42) USER MOD Single : A 115 LYS NZ :NH3+ -139:sc= -0.0479 (180deg=-0.763) USER MOD Single : A 117 THR OG1 : rot 180:sc=0.000308 USER MOD Single : A 137 ASN : amide:sc= -0.438 K(o=-0.44,f=-5!) USER MOD Single : A 138 TYR OH : rot 165:sc= -0.259 USER MOD Single : A 145 MET CE :methyl 175:sc= -1.15 (180deg=-1.21) USER MOD Single : B1908 SER OG : rot 80:sc= -3.38! USER MOD Single : B1913 GLN : amide:sc= -1.03 K(o=-1,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.644 10.018 2.106 1.00 0.00 N ATOM 87 CA SER A 81 0.928 8.688 1.579 1.00 0.00 C ATOM 88 C SER A 81 1.913 7.935 2.470 1.00 0.00 C ATOM 89 O SER A 81 1.872 6.710 2.553 1.00 0.00 O ATOM 90 CB SER A 81 1.487 8.788 0.158 1.00 0.00 C ATOM 91 OG SER A 81 2.119 10.038 -0.055 1.00 0.00 O ATOM 0 HA SER A 81 -0.009 8.132 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.201 7.982 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.680 8.657 -0.563 1.00 0.00 H new ATOM 0 HG SER A 81 1.884 10.652 0.672 1.00 0.00 H new ATOM 97 N GLU A 82 2.804 8.673 3.123 1.00 0.00 N ATOM 98 CA GLU A 82 3.807 8.067 3.993 1.00 0.00 C ATOM 99 C GLU A 82 3.198 7.562 5.300 1.00 0.00 C ATOM 100 O GLU A 82 3.329 6.387 5.642 1.00 0.00 O ATOM 101 CB GLU A 82 4.917 9.074 4.300 1.00 0.00 C ATOM 102 CG GLU A 82 6.213 8.428 4.763 1.00 0.00 C ATOM 103 CD GLU A 82 7.275 8.411 3.682 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.276 7.467 2.865 1.00 0.00 O ATOM 105 OE2 GLU A 82 8.107 9.342 3.652 1.00 0.00 O1- ATOM 0 H GLU A 82 2.853 9.690 3.067 1.00 0.00 H new ATOM 0 HA GLU A 82 4.222 7.210 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.115 9.667 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.569 9.763 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.593 8.966 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.011 7.406 5.084 1.00 0.00 H new ATOM 112 N GLU A 83 2.554 8.459 6.038 1.00 0.00 N ATOM 113 CA GLU A 83 1.950 8.106 7.320 1.00 0.00 C ATOM 114 C GLU A 83 0.722 7.211 7.153 1.00 0.00 C ATOM 115 O GLU A 83 0.424 6.392 8.020 1.00 0.00 O ATOM 116 CB GLU A 83 1.566 9.371 8.088 1.00 0.00 C ATOM 117 CG GLU A 83 1.604 9.199 9.598 1.00 0.00 C ATOM 118 CD GLU A 83 1.411 10.507 10.338 1.00 0.00 C ATOM 119 OE1 GLU A 83 0.373 11.165 10.120 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 2.299 10.874 11.137 1.00 0.00 O ATOM 0 H GLU A 83 2.436 9.437 5.772 1.00 0.00 H new ATOM 0 HA GLU A 83 2.695 7.544 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.242 10.178 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.563 9.677 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.827 8.497 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.559 8.760 9.886 1.00 0.00 H new ATOM 127 N GLU A 84 0.006 7.378 6.048 1.00 0.00 N ATOM 128 CA GLU A 84 -1.196 6.587 5.796 1.00 0.00 C ATOM 129 C GLU A 84 -0.849 5.157 5.385 1.00 0.00 C ATOM 130 O GLU A 84 -1.438 4.198 5.884 1.00 0.00 O ATOM 131 CB GLU A 84 -2.048 7.246 4.709 1.00 0.00 C ATOM 132 CG GLU A 84 -2.665 8.568 5.138 1.00 0.00 C ATOM 133 CD GLU A 84 -3.767 8.396 6.168 1.00 0.00 C ATOM 134 OE1 GLU A 84 -3.884 7.290 6.737 1.00 0.00 O1- ATOM 135 OE2 GLU A 84 -4.515 9.368 6.403 1.00 0.00 O ATOM 0 H GLU A 84 0.233 8.050 5.315 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.764 6.545 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.431 7.412 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.844 6.561 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.887 9.211 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.068 9.077 4.262 1.00 0.00 H new ATOM 142 N LEU A 85 0.099 5.022 4.466 1.00 0.00 N ATOM 143 CA LEU A 85 0.517 3.711 3.976 1.00 0.00 C ATOM 144 C LEU A 85 1.169 2.885 5.085 1.00 0.00 C ATOM 145 O LEU A 85 0.821 1.721 5.285 1.00 0.00 O ATOM 146 CB LEU A 85 1.476 3.884 2.794 1.00 0.00 C ATOM 147 CG LEU A 85 2.171 2.609 2.302 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.150 1.599 1.814 1.00 0.00 C ATOM 149 CD2 LEU A 85 3.164 2.937 1.195 1.00 0.00 C ATOM 0 H LEU A 85 0.595 5.806 4.043 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.367 3.168 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.921 4.316 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.242 4.606 3.076 1.00 0.00 H new ATOM 0 HG LEU A 85 2.716 2.171 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.663 0.701 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.475 1.341 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.578 2.029 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.648 2.021 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.638 3.399 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.918 3.627 1.575 1.00 0.00 H new ATOM 161 N ILE A 86 2.113 3.486 5.802 1.00 0.00 N ATOM 162 CA ILE A 86 2.804 2.791 6.883 1.00 0.00 C ATOM 163 C ILE A 86 1.818 2.328 7.956 1.00 0.00 C ATOM 164 O ILE A 86 1.945 1.227 8.491 1.00 0.00 O ATOM 165 CB ILE A 86 3.891 3.685 7.524 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.882 4.159 6.458 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.627 2.939 8.632 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.673 5.382 6.869 1.00 0.00 C ATOM 0 H ILE A 86 2.416 4.449 5.655 1.00 0.00 H new ATOM 0 HA ILE A 86 3.287 1.917 6.446 1.00 0.00 H new ATOM 0 HB ILE A 86 3.401 4.553 7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.574 3.348 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.338 4.380 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.386 3.589 9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.918 2.643 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.104 2.051 8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.355 5.661 6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.989 6.207 7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.245 5.159 7.770 1.00 0.00 H new ATOM 180 N GLU A 87 0.840 3.171 8.266 1.00 0.00 N ATOM 181 CA GLU A 87 -0.162 2.839 9.274 1.00 0.00 C ATOM 182 C GLU A 87 -1.103 1.753 8.763 1.00 0.00 C ATOM 183 O GLU A 87 -1.424 0.803 9.481 1.00 0.00 O ATOM 184 CB GLU A 87 -0.962 4.085 9.659 1.00 0.00 C ATOM 185 CG GLU A 87 -1.505 4.046 11.078 1.00 0.00 C ATOM 186 CD GLU A 87 -2.631 3.044 11.244 1.00 0.00 C ATOM 187 OE1 GLU A 87 -3.636 3.155 10.511 1.00 0.00 O ATOM 188 OE2 GLU A 87 -2.507 2.149 12.106 1.00 0.00 O1- ATOM 0 H GLU A 87 0.719 4.088 7.835 1.00 0.00 H new ATOM 0 HA GLU A 87 0.355 2.463 10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.327 4.963 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.794 4.202 8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.697 3.796 11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.863 5.038 11.354 1.00 0.00 H new ATOM 195 N ALA A 88 -1.540 1.900 7.517 1.00 0.00 N ATOM 196 CA ALA A 88 -2.443 0.933 6.908 1.00 0.00 C ATOM 197 C ALA A 88 -1.810 -0.451 6.859 1.00 0.00 C ATOM 198 O ALA A 88 -2.459 -1.451 7.165 1.00 0.00 O ATOM 199 CB ALA A 88 -2.829 1.383 5.510 1.00 0.00 C ATOM 0 H ALA A 88 -1.283 2.679 6.910 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.341 0.874 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.504 0.652 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.327 2.351 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.933 1.470 4.895 1.00 0.00 H new ATOM 205 N PHE A 89 -0.539 -0.503 6.475 1.00 0.00 N ATOM 206 CA PHE A 89 0.175 -1.770 6.394 1.00 0.00 C ATOM 207 C PHE A 89 0.421 -2.335 7.782 1.00 0.00 C ATOM 208 O PHE A 89 0.374 -3.547 7.992 1.00 0.00 O ATOM 209 CB PHE A 89 1.501 -1.601 5.648 1.00 0.00 C ATOM 210 CG PHE A 89 1.418 -1.897 4.174 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.676 -2.970 3.698 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.092 -1.100 3.263 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.609 -3.239 2.344 1.00 0.00 C ATOM 214 CE2 PHE A 89 2.028 -1.366 1.909 1.00 0.00 C ATOM 215 CZ PHE A 89 1.285 -2.436 1.448 1.00 0.00 C ATOM 0 H PHE A 89 0.015 0.314 6.216 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.446 -2.472 5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.854 -0.579 5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.245 -2.258 6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.145 -3.602 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.674 -0.261 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.028 -4.077 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.559 -0.737 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.233 -2.643 0.389 1.00 0.00 H new ATOM 225 N LYS A 90 0.674 -1.443 8.728 1.00 0.00 N ATOM 226 CA LYS A 90 0.922 -1.833 10.117 1.00 0.00 C ATOM 227 C LYS A 90 -0.201 -2.729 10.631 1.00 0.00 C ATOM 228 O LYS A 90 0.036 -3.685 11.369 1.00 0.00 O ATOM 229 CB LYS A 90 1.046 -0.592 11.004 1.00 0.00 C ATOM 230 CG LYS A 90 1.860 -0.825 12.265 1.00 0.00 C ATOM 231 CD LYS A 90 2.420 0.476 12.814 1.00 0.00 C ATOM 232 CE LYS A 90 3.798 0.277 13.425 1.00 0.00 C ATOM 233 NZ LYS A 90 4.039 1.204 14.564 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.714 -0.437 8.562 1.00 0.00 H new ATOM 0 HA LYS A 90 1.858 -2.390 10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.505 0.211 10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.048 -0.254 11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.235 -1.301 13.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.678 -1.512 12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.479 1.214 12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.741 0.876 13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.898 -0.753 13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.560 0.434 12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.989 1.037 14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.969 2.187 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.328 1.037 15.304 1.00 0.00 H new ATOM 247 N VAL A 91 -1.423 -2.416 10.214 1.00 0.00 N ATOM 248 CA VAL A 91 -2.588 -3.195 10.609 1.00 0.00 C ATOM 249 C VAL A 91 -2.494 -4.627 10.082 1.00 0.00 C ATOM 250 O VAL A 91 -3.073 -5.549 10.657 1.00 0.00 O ATOM 251 CB VAL A 91 -3.890 -2.557 10.085 1.00 0.00 C ATOM 252 CG1 VAL A 91 -5.107 -3.278 10.645 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.932 -1.075 10.426 1.00 0.00 C ATOM 0 H VAL A 91 -1.631 -1.627 9.602 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.607 -3.209 11.699 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.910 -2.658 9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.015 -2.811 10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.081 -4.325 10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.098 -3.216 11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.858 -0.641 10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.887 -0.949 11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.081 -0.572 9.966 1.00 0.00 H new ATOM 263 N PHE A 92 -1.766 -4.805 8.980 1.00 0.00 N ATOM 264 CA PHE A 92 -1.604 -6.124 8.372 1.00 0.00 C ATOM 265 C PHE A 92 -0.194 -6.662 8.593 1.00 0.00 C ATOM 266 O PHE A 92 0.320 -7.432 7.781 1.00 0.00 O ATOM 267 CB PHE A 92 -1.907 -6.061 6.870 1.00 0.00 C ATOM 268 CG PHE A 92 -3.084 -5.192 6.525 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.342 -5.472 7.035 1.00 0.00 C ATOM 270 CD2 PHE A 92 -2.931 -4.092 5.697 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.424 -4.670 6.727 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.009 -3.287 5.385 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.257 -3.575 5.901 1.00 0.00 C ATOM 0 H PHE A 92 -1.280 -4.053 8.491 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.310 -6.802 8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.026 -5.689 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.093 -7.071 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.478 -6.327 7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.957 -3.861 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.399 -4.899 7.131 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.876 -2.433 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.101 -2.946 5.659 1.00 0.00 H new ATOM 352 N GLY A 98 7.355 -5.343 10.441 1.00 0.00 N ATOM 353 CA GLY A 98 6.698 -4.596 9.383 1.00 0.00 C ATOM 354 C GLY A 98 6.760 -5.299 8.040 1.00 0.00 C ATOM 355 O GLY A 98 7.048 -4.673 7.018 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.655 -4.432 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.163 -3.614 9.296 1.00 0.00 H new ATOM 359 N LEU A 99 6.490 -6.601 8.039 1.00 0.00 N ATOM 360 CA LEU A 99 6.516 -7.387 6.812 1.00 0.00 C ATOM 361 C LEU A 99 5.107 -7.807 6.402 1.00 0.00 C ATOM 362 O LEU A 99 4.232 -7.986 7.249 1.00 0.00 O ATOM 363 CB LEU A 99 7.401 -8.623 6.993 1.00 0.00 C ATOM 364 CG LEU A 99 8.867 -8.429 6.602 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.474 -7.250 7.354 1.00 0.00 C ATOM 366 CD2 LEU A 99 9.659 -9.703 6.860 1.00 0.00 C ATOM 0 H LEU A 99 6.251 -7.133 8.875 1.00 0.00 H new ATOM 0 HA LEU A 99 6.932 -6.765 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.357 -8.934 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.987 -9.438 6.400 1.00 0.00 H new ATOM 0 HG LEU A 99 8.913 -8.208 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.517 -7.130 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.922 -6.342 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.417 -7.435 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.700 -9.548 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.605 -9.957 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.240 -10.518 6.270 1.00 0.00 H new ATOM 378 N ILE A 100 4.896 -7.963 5.099 1.00 0.00 N ATOM 379 CA ILE A 100 3.594 -8.363 4.578 1.00 0.00 C ATOM 380 C ILE A 100 3.747 -9.332 3.408 1.00 0.00 C ATOM 381 O ILE A 100 4.554 -9.109 2.506 1.00 0.00 O ATOM 382 CB ILE A 100 2.766 -7.135 4.133 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.351 -7.562 3.736 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.450 -6.403 2.985 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.354 -6.424 3.743 1.00 0.00 C ATOM 0 H ILE A 100 5.610 -7.819 4.385 1.00 0.00 H new ATOM 0 HA ILE A 100 3.063 -8.866 5.386 1.00 0.00 H new ATOM 0 HB ILE A 100 2.697 -6.447 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.379 -8.004 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.009 -8.339 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.847 -5.544 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.435 -6.063 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.558 -7.078 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.627 -6.798 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.297 -5.996 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.673 -5.656 3.038 1.00 0.00 H new ATOM 397 N SER A 101 2.971 -10.413 3.433 1.00 0.00 N ATOM 398 CA SER A 101 3.026 -11.418 2.378 1.00 0.00 C ATOM 399 C SER A 101 2.220 -10.982 1.159 1.00 0.00 C ATOM 400 O SER A 101 1.083 -10.526 1.284 1.00 0.00 O ATOM 401 CB SER A 101 2.505 -12.760 2.895 1.00 0.00 C ATOM 402 OG SER A 101 2.288 -13.668 1.830 1.00 0.00 O ATOM 0 H SER A 101 2.298 -10.614 4.172 1.00 0.00 H new ATOM 0 HA SER A 101 4.068 -11.530 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.221 -13.185 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.574 -12.606 3.441 1.00 0.00 H new ATOM 0 HG SER A 101 1.957 -14.518 2.187 1.00 0.00 H new ATOM 408 N ALA A 102 2.817 -11.126 -0.020 1.00 0.00 N ATOM 409 CA ALA A 102 2.157 -10.748 -1.264 1.00 0.00 C ATOM 410 C ALA A 102 1.022 -11.710 -1.602 1.00 0.00 C ATOM 411 O ALA A 102 0.013 -11.313 -2.186 1.00 0.00 O ATOM 412 CB ALA A 102 3.166 -10.703 -2.402 1.00 0.00 C ATOM 0 H ALA A 102 3.758 -11.502 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 102 1.728 -9.755 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.661 -10.420 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.941 -9.971 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.621 -11.686 -2.524 1.00 0.00 H new ATOM 418 N ALA A 103 1.193 -12.976 -1.235 1.00 0.00 N ATOM 419 CA ALA A 103 0.181 -13.995 -1.503 1.00 0.00 C ATOM 420 C ALA A 103 -1.157 -13.623 -0.872 1.00 0.00 C ATOM 421 O ALA A 103 -2.186 -13.598 -1.547 1.00 0.00 O ATOM 422 CB ALA A 103 0.649 -15.349 -0.991 1.00 0.00 C ATOM 0 H ALA A 103 2.022 -13.322 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 103 0.039 -14.054 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.114 -16.099 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.576 -15.627 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.821 -15.292 0.084 1.00 0.00 H new ATOM 428 N GLU A 104 -1.135 -13.333 0.423 1.00 0.00 N ATOM 429 CA GLU A 104 -2.346 -12.959 1.145 1.00 0.00 C ATOM 430 C GLU A 104 -2.726 -11.514 0.851 1.00 0.00 C ATOM 431 O GLU A 104 -3.900 -11.194 0.659 1.00 0.00 O ATOM 432 CB GLU A 104 -2.144 -13.147 2.648 1.00 0.00 C ATOM 433 CG GLU A 104 -1.062 -12.256 3.231 1.00 0.00 C ATOM 434 CD GLU A 104 -0.621 -12.700 4.612 1.00 0.00 C ATOM 435 OE1 GLU A 104 -0.129 -13.841 4.738 1.00 0.00 O1- ATOM 436 OE2 GLU A 104 -0.768 -11.908 5.566 1.00 0.00 O ATOM 0 H GLU A 104 -0.291 -13.349 0.996 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.156 -13.606 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.085 -12.945 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.891 -14.189 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.201 -12.252 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.430 -11.231 3.283 1.00 0.00 H new ATOM 443 N LEU A 105 -1.721 -10.644 0.820 1.00 0.00 N ATOM 444 CA LEU A 105 -1.932 -9.221 0.554 1.00 0.00 C ATOM 445 C LEU A 105 -2.722 -9.004 -0.736 1.00 0.00 C ATOM 446 O LEU A 105 -3.447 -8.019 -0.870 1.00 0.00 O ATOM 447 CB LEU A 105 -0.583 -8.500 0.463 1.00 0.00 C ATOM 448 CG LEU A 105 -0.657 -7.017 0.087 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.579 -6.267 1.035 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.732 -6.398 0.090 1.00 0.00 C ATOM 0 H LEU A 105 -0.746 -10.900 0.977 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.513 -8.809 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.077 -8.589 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.036 -9.014 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.068 -6.939 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.617 -5.216 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.581 -6.694 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.201 -6.353 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.661 -5.344 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.169 -6.490 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.363 -6.916 -0.633 1.00 0.00 H new ATOM 462 N ARG A 106 -2.574 -9.924 -1.683 1.00 0.00 N ATOM 463 CA ARG A 106 -3.275 -9.819 -2.957 1.00 0.00 C ATOM 464 C ARG A 106 -4.777 -10.008 -2.774 1.00 0.00 C ATOM 465 O ARG A 106 -5.571 -9.186 -3.226 1.00 0.00 O ATOM 466 CB ARG A 106 -2.737 -10.852 -3.949 1.00 0.00 C ATOM 467 CG ARG A 106 -3.384 -10.768 -5.322 1.00 0.00 C ATOM 468 CD ARG A 106 -3.393 -12.119 -6.020 1.00 0.00 C ATOM 469 NE ARG A 106 -4.633 -12.345 -6.760 1.00 0.00 N ATOM 470 CZ ARG A 106 -5.776 -12.746 -6.201 1.00 0.00 C ATOM 471 NH1 ARG A 106 -5.848 -12.968 -4.894 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -6.851 -12.926 -6.955 1.00 0.00 N ATOM 0 H ARG A 106 -1.978 -10.747 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.100 -8.819 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.661 -10.717 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.894 -11.851 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.406 -10.403 -5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.846 -10.045 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.547 -12.179 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.263 -12.910 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.624 -12.186 -7.768 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.025 -12.832 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.727 -13.274 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.803 -12.758 -7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.726 -13.233 -6.530 1.00 0.00 H new ATOM 486 N HIS A 107 -5.159 -11.094 -2.110 1.00 0.00 N ATOM 487 CA HIS A 107 -6.567 -11.388 -1.871 1.00 0.00 C ATOM 488 C HIS A 107 -7.194 -10.345 -0.951 1.00 0.00 C ATOM 489 O HIS A 107 -8.345 -9.952 -1.135 1.00 0.00 O ATOM 490 CB HIS A 107 -6.721 -12.784 -1.260 1.00 0.00 C ATOM 491 CG HIS A 107 -8.144 -13.173 -0.995 1.00 0.00 C ATOM 492 ND1 HIS A 107 -9.053 -12.668 -0.128 1.00 0.00 N flip ATOM 493 CD2 HIS A 107 -8.781 -14.199 -1.662 1.00 0.00 C flip ATOM 494 CE1 HIS A 107 -10.211 -13.390 -0.286 1.00 0.00 C flip ATOM 495 NE2 HIS A 107 -10.020 -14.307 -1.217 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.513 -11.785 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.086 -11.358 -2.829 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.273 -13.516 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.162 -12.825 -0.325 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.336 -14.817 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.128 -13.233 0.262 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.712 -14.984 -1.538 1.00 0.00 H new ATOM 504 N VAL A 108 -6.429 -9.905 0.040 1.00 0.00 N ATOM 505 CA VAL A 108 -6.906 -8.912 0.994 1.00 0.00 C ATOM 506 C VAL A 108 -7.323 -7.620 0.296 1.00 0.00 C ATOM 507 O VAL A 108 -8.490 -7.232 0.333 1.00 0.00 O ATOM 508 CB VAL A 108 -5.826 -8.590 2.049 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.374 -7.659 3.122 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.284 -9.872 2.672 1.00 0.00 C ATOM 0 H VAL A 108 -5.473 -10.221 0.204 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.776 -9.343 1.489 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.004 -8.079 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.594 -7.447 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.702 -6.727 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.219 -8.135 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.524 -9.623 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.097 -10.414 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.843 -10.496 1.895 1.00 0.00 H new ATOM 520 N MET A 109 -6.357 -6.952 -0.321 1.00 0.00 N ATOM 521 CA MET A 109 -6.611 -5.691 -1.009 1.00 0.00 C ATOM 522 C MET A 109 -7.627 -5.848 -2.144 1.00 0.00 C ATOM 523 O MET A 109 -8.566 -5.060 -2.254 1.00 0.00 O ATOM 524 CB MET A 109 -5.294 -5.117 -1.543 1.00 0.00 C ATOM 525 CG MET A 109 -4.916 -3.784 -0.913 1.00 0.00 C ATOM 526 SD MET A 109 -3.626 -3.940 0.339 1.00 0.00 S ATOM 527 CE MET A 109 -4.602 -4.337 1.789 1.00 0.00 C ATOM 0 H MET A 109 -5.386 -7.263 -0.360 1.00 0.00 H new ATOM 0 HA MET A 109 -7.043 -4.999 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.494 -5.835 -1.363 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.373 -4.991 -2.623 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.578 -3.102 -1.693 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.802 -3.337 -0.461 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.014 -4.958 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.888 -3.417 2.298 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.499 -4.878 1.487 1.00 0.00 H new ATOM 537 N THR A 110 -7.433 -6.855 -2.990 1.00 0.00 N ATOM 538 CA THR A 110 -8.338 -7.087 -4.114 1.00 0.00 C ATOM 539 C THR A 110 -9.759 -7.366 -3.638 1.00 0.00 C ATOM 540 O THR A 110 -10.724 -6.843 -4.196 1.00 0.00 O ATOM 541 CB THR A 110 -7.840 -8.244 -4.979 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.811 -9.451 -4.239 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.454 -8.009 -5.542 1.00 0.00 C ATOM 0 H THR A 110 -6.663 -7.520 -2.921 1.00 0.00 H new ATOM 0 HA THR A 110 -8.353 -6.177 -4.714 1.00 0.00 H new ATOM 0 HB THR A 110 -8.545 -8.313 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.884 -9.755 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.157 -8.866 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.460 -7.112 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.746 -7.880 -4.723 1.00 0.00 H new ATOM 551 N ASN A 111 -9.884 -8.190 -2.606 1.00 0.00 N ATOM 552 CA ASN A 111 -11.194 -8.533 -2.065 1.00 0.00 C ATOM 553 C ASN A 111 -11.857 -7.332 -1.389 1.00 0.00 C ATOM 554 O ASN A 111 -13.068 -7.335 -1.166 1.00 0.00 O ATOM 555 CB ASN A 111 -11.069 -9.685 -1.066 1.00 0.00 C ATOM 556 CG ASN A 111 -12.418 -10.170 -0.571 1.00 0.00 C ATOM 557 OD1 ASN A 111 -12.970 -9.634 0.389 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.955 -11.193 -1.228 1.00 0.00 N ATOM 0 H ASN A 111 -9.099 -8.632 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.824 -8.841 -2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.538 -10.513 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.468 -9.362 -0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.861 -11.564 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.461 -11.607 -2.019 1.00 0.00 H new ATOM 565 N LEU A 112 -11.068 -6.311 -1.050 1.00 0.00 N ATOM 566 CA LEU A 112 -11.609 -5.126 -0.389 1.00 0.00 C ATOM 567 C LEU A 112 -11.519 -3.881 -1.272 1.00 0.00 C ATOM 568 O LEU A 112 -11.085 -3.939 -2.437 1.00 0.00 O ATOM 569 CB LEU A 112 -10.887 -4.883 0.937 1.00 0.00 C ATOM 570 CG LEU A 112 -9.396 -4.574 0.818 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.178 -3.084 0.613 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.657 -5.063 2.053 1.00 0.00 C ATOM 0 H LEU A 112 -10.063 -6.282 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.665 -5.316 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.374 -4.054 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.010 -5.764 1.566 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.998 -5.099 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.110 -2.880 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.680 -2.765 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.587 -2.536 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.595 -4.837 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.055 -4.564 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.790 -6.140 2.154 1.00 0.00 H new ATOM 584 N GLY A 113 -11.952 -2.753 -0.700 1.00 0.00 N ATOM 585 CA GLY A 113 -11.946 -1.495 -1.417 1.00 0.00 C ATOM 586 C GLY A 113 -12.911 -1.519 -2.578 1.00 0.00 C ATOM 587 O GLY A 113 -14.029 -2.021 -2.454 1.00 0.00 O ATOM 0 H GLY A 113 -12.308 -2.696 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.212 -0.686 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.940 -1.287 -1.782 1.00 0.00 H new ATOM 591 N GLU A 114 -12.474 -1.010 -3.719 1.00 0.00 N ATOM 592 CA GLU A 114 -13.301 -1.013 -4.914 1.00 0.00 C ATOM 593 C GLU A 114 -12.907 -2.194 -5.791 1.00 0.00 C ATOM 594 O GLU A 114 -12.766 -2.064 -7.008 1.00 0.00 O ATOM 595 CB GLU A 114 -13.141 0.301 -5.682 1.00 0.00 C ATOM 596 CG GLU A 114 -11.694 0.735 -5.845 1.00 0.00 C ATOM 597 CD GLU A 114 -11.524 1.818 -6.892 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.350 2.755 -6.918 1.00 0.00 O1- ATOM 599 OE2 GLU A 114 -10.565 1.728 -7.688 1.00 0.00 O ATOM 0 H GLU A 114 -11.553 -0.590 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.348 -1.109 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.593 0.194 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.691 1.086 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.317 1.097 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.088 -0.129 -6.119 1.00 0.00 H new ATOM 606 N LYS A 115 -12.705 -3.346 -5.152 1.00 0.00 N ATOM 607 CA LYS A 115 -12.297 -4.551 -5.854 1.00 0.00 C ATOM 608 C LYS A 115 -10.944 -4.323 -6.515 1.00 0.00 C ATOM 609 O LYS A 115 -10.827 -4.340 -7.742 1.00 0.00 O ATOM 610 CB LYS A 115 -13.346 -4.947 -6.895 1.00 0.00 C ATOM 611 CG LYS A 115 -14.675 -5.370 -6.290 1.00 0.00 C ATOM 612 CD LYS A 115 -14.555 -6.689 -5.545 1.00 0.00 C ATOM 613 CE LYS A 115 -14.413 -7.861 -6.503 1.00 0.00 C ATOM 614 NZ LYS A 115 -12.991 -8.278 -6.661 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.819 -3.465 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.208 -5.368 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.514 -4.106 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.955 -5.765 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.028 -4.597 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.421 -5.463 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.692 -6.655 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -15.435 -6.835 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.000 -8.703 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.822 -7.587 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.802 -8.497 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -12.366 -7.506 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -12.810 -9.123 -6.082 1.00 0.00 H new ATOM 628 N LEU A 116 -9.914 -4.088 -5.693 1.00 0.00 N ATOM 629 CA LEU A 116 -8.559 -3.831 -6.209 1.00 0.00 C ATOM 630 C LEU A 116 -8.166 -4.828 -7.306 1.00 0.00 C ATOM 631 O LEU A 116 -8.099 -6.034 -7.072 1.00 0.00 O ATOM 632 CB LEU A 116 -7.530 -3.865 -5.076 1.00 0.00 C ATOM 633 CG LEU A 116 -6.470 -2.765 -5.138 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.473 -2.921 -4.004 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.755 -2.791 -6.480 1.00 0.00 C ATOM 0 H LEU A 116 -9.989 -4.070 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.569 -2.834 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.056 -3.790 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.030 -4.833 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.968 -1.801 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.726 -2.129 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.995 -2.855 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.981 -3.890 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.004 -2.002 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.270 -3.758 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.478 -2.632 -7.280 1.00 0.00 H new ATOM 647 N THR A 117 -7.918 -4.304 -8.504 1.00 0.00 N ATOM 648 CA THR A 117 -7.544 -5.129 -9.648 1.00 0.00 C ATOM 649 C THR A 117 -6.297 -5.958 -9.358 1.00 0.00 C ATOM 650 O THR A 117 -5.427 -5.549 -8.590 1.00 0.00 O ATOM 651 CB THR A 117 -7.304 -4.250 -10.877 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.212 -3.374 -10.662 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.502 -3.405 -11.252 1.00 0.00 C ATOM 0 H THR A 117 -7.970 -3.306 -8.707 1.00 0.00 H new ATOM 0 HA THR A 117 -8.369 -5.814 -9.844 1.00 0.00 H new ATOM 0 HB THR A 117 -7.099 -4.944 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.074 -2.822 -11.460 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.264 -2.806 -12.131 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.350 -4.053 -11.473 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.756 -2.746 -10.422 1.00 0.00 H new ATOM 661 N ASP A 118 -6.220 -7.129 -9.985 1.00 0.00 N ATOM 662 CA ASP A 118 -5.084 -8.028 -9.808 1.00 0.00 C ATOM 663 C ASP A 118 -3.818 -7.458 -10.447 1.00 0.00 C ATOM 664 O ASP A 118 -2.706 -7.780 -10.031 1.00 0.00 O ATOM 665 CB ASP A 118 -5.398 -9.398 -10.409 1.00 0.00 C ATOM 666 CG ASP A 118 -6.525 -10.105 -9.683 1.00 0.00 C ATOM 667 OD1 ASP A 118 -7.301 -9.421 -8.982 1.00 0.00 O1- ATOM 668 OD2 ASP A 118 -6.633 -11.343 -9.815 1.00 0.00 O ATOM 0 H ASP A 118 -6.935 -7.478 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.906 -8.134 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.665 -9.278 -11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.503 -10.019 -10.377 1.00 0.00 H new ATOM 673 N ASP A 119 -3.991 -6.618 -11.465 1.00 0.00 N ATOM 674 CA ASP A 119 -2.858 -6.017 -12.159 1.00 0.00 C ATOM 675 C ASP A 119 -2.172 -4.963 -11.294 1.00 0.00 C ATOM 676 O ASP A 119 -0.945 -4.858 -11.285 1.00 0.00 O ATOM 677 CB ASP A 119 -3.317 -5.388 -13.476 1.00 0.00 C ATOM 678 CG ASP A 119 -2.160 -4.846 -14.293 1.00 0.00 C ATOM 679 OD1 ASP A 119 -1.521 -3.872 -13.843 1.00 0.00 O1- ATOM 680 OD2 ASP A 119 -1.894 -5.396 -15.381 1.00 0.00 O ATOM 0 H ASP A 119 -4.903 -6.339 -11.826 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.138 -6.808 -12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -3.855 -6.133 -14.063 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -4.018 -4.581 -13.265 1.00 0.00 H new ATOM 685 N GLU A 120 -2.969 -4.181 -10.575 1.00 0.00 N ATOM 686 CA GLU A 120 -2.434 -3.130 -9.714 1.00 0.00 C ATOM 687 C GLU A 120 -1.764 -3.714 -8.476 1.00 0.00 C ATOM 688 O GLU A 120 -0.710 -3.243 -8.048 1.00 0.00 O ATOM 689 CB GLU A 120 -3.550 -2.169 -9.297 1.00 0.00 C ATOM 690 CG GLU A 120 -3.064 -1.012 -8.439 1.00 0.00 C ATOM 691 CD GLU A 120 -3.954 0.211 -8.553 1.00 0.00 C ATOM 692 OE1 GLU A 120 -5.187 0.062 -8.420 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -3.418 1.317 -8.776 1.00 0.00 O ATOM 0 H GLU A 120 -3.986 -4.254 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.681 -2.584 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.029 -1.771 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.310 -2.724 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.021 -1.330 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.049 -0.747 -8.734 1.00 0.00 H new ATOM 700 N VAL A 121 -2.382 -4.740 -7.898 1.00 0.00 N ATOM 701 CA VAL A 121 -1.844 -5.379 -6.704 1.00 0.00 C ATOM 702 C VAL A 121 -0.536 -6.104 -7.006 1.00 0.00 C ATOM 703 O VAL A 121 0.345 -6.189 -6.152 1.00 0.00 O ATOM 704 CB VAL A 121 -2.854 -6.370 -6.088 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.183 -7.483 -7.069 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.326 -6.940 -4.777 1.00 0.00 C ATOM 0 H VAL A 121 -3.254 -5.145 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.650 -4.586 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.773 -5.826 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.897 -8.170 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.617 -7.055 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.272 -8.024 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.056 -7.636 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.388 -7.464 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.156 -6.128 -4.070 1.00 0.00 H new ATOM 716 N ASP A 122 -0.421 -6.628 -8.221 1.00 0.00 N ATOM 717 CA ASP A 122 0.776 -7.354 -8.631 1.00 0.00 C ATOM 718 C ASP A 122 1.970 -6.416 -8.794 1.00 0.00 C ATOM 719 O ASP A 122 3.083 -6.743 -8.385 1.00 0.00 O ATOM 720 CB ASP A 122 0.518 -8.098 -9.942 1.00 0.00 C ATOM 721 CG ASP A 122 0.002 -9.506 -9.716 1.00 0.00 C ATOM 722 OD1 ASP A 122 -0.771 -9.708 -8.754 1.00 0.00 O ATOM 723 OD2 ASP A 122 0.370 -10.407 -10.498 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.142 -6.564 -8.940 1.00 0.00 H new ATOM 0 HA ASP A 122 1.014 -8.072 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.205 -7.540 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.441 -8.141 -10.520 1.00 0.00 H new ATOM 728 N GLU A 123 1.737 -5.259 -9.403 1.00 0.00 N ATOM 729 CA GLU A 123 2.800 -4.284 -9.630 1.00 0.00 C ATOM 730 C GLU A 123 3.390 -3.772 -8.317 1.00 0.00 C ATOM 731 O GLU A 123 4.608 -3.649 -8.181 1.00 0.00 O ATOM 732 CB GLU A 123 2.271 -3.108 -10.454 1.00 0.00 C ATOM 733 CG GLU A 123 3.272 -2.575 -11.466 1.00 0.00 C ATOM 734 CD GLU A 123 3.010 -3.083 -12.870 1.00 0.00 C ATOM 735 OE1 GLU A 123 1.855 -2.978 -13.334 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 3.960 -3.587 -13.506 1.00 0.00 O ATOM 0 H GLU A 123 0.821 -4.972 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 123 3.595 -4.788 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.368 -3.420 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.985 -2.301 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.238 -1.486 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.278 -2.862 -11.162 1.00 0.00 H new ATOM 743 N MET A 124 2.524 -3.458 -7.361 1.00 0.00 N ATOM 744 CA MET A 124 2.964 -2.941 -6.069 1.00 0.00 C ATOM 745 C MET A 124 3.704 -3.998 -5.248 1.00 0.00 C ATOM 746 O MET A 124 4.757 -3.721 -4.673 1.00 0.00 O ATOM 747 CB MET A 124 1.767 -2.417 -5.276 1.00 0.00 C ATOM 748 CG MET A 124 0.717 -3.476 -4.997 1.00 0.00 C ATOM 749 SD MET A 124 -0.779 -2.788 -4.265 1.00 0.00 S ATOM 750 CE MET A 124 -0.969 -3.844 -2.831 1.00 0.00 C ATOM 0 H MET A 124 1.513 -3.552 -7.455 1.00 0.00 H new ATOM 0 HA MET A 124 3.661 -2.126 -6.267 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.119 -2.007 -4.329 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.307 -1.597 -5.827 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.462 -3.984 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.133 -4.228 -4.327 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.949 -3.677 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.882 -4.888 -3.133 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.192 -3.611 -2.102 1.00 0.00 H new ATOM 760 N ILE A 125 3.142 -5.201 -5.181 1.00 0.00 N ATOM 761 CA ILE A 125 3.748 -6.283 -4.411 1.00 0.00 C ATOM 762 C ILE A 125 5.112 -6.694 -4.967 1.00 0.00 C ATOM 763 O ILE A 125 6.014 -7.053 -4.211 1.00 0.00 O ATOM 764 CB ILE A 125 2.824 -7.519 -4.351 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.616 -8.110 -5.752 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.490 -7.149 -3.709 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.659 -9.283 -5.786 1.00 0.00 C ATOM 0 H ILE A 125 2.271 -5.451 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 125 3.892 -5.895 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 125 3.301 -8.282 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.242 -7.329 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.580 -8.428 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.847 -8.029 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.662 -6.783 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.006 -6.370 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.564 -9.645 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.041 -10.083 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.682 -8.966 -5.421 1.00 0.00 H new ATOM 779 N ARG A 126 5.258 -6.644 -6.287 1.00 0.00 N ATOM 780 CA ARG A 126 6.516 -7.019 -6.927 1.00 0.00 C ATOM 781 C ARG A 126 7.571 -5.931 -6.742 1.00 0.00 C ATOM 782 O ARG A 126 8.759 -6.221 -6.602 1.00 0.00 O ATOM 783 CB ARG A 126 6.297 -7.299 -8.418 1.00 0.00 C ATOM 784 CG ARG A 126 6.697 -8.705 -8.836 1.00 0.00 C ATOM 785 CD ARG A 126 5.500 -9.644 -8.848 1.00 0.00 C ATOM 786 NE ARG A 126 5.886 -11.026 -8.564 1.00 0.00 N ATOM 787 CZ ARG A 126 5.073 -12.073 -8.712 1.00 0.00 C ATOM 788 NH1 ARG A 126 3.826 -11.907 -9.140 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 5.511 -13.292 -8.430 1.00 0.00 N ATOM 0 H ARG A 126 4.525 -6.349 -6.933 1.00 0.00 H new ATOM 0 HA ARG A 126 6.878 -7.929 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.245 -7.142 -8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.868 -6.578 -9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.149 -8.676 -9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.454 -9.088 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.771 -9.312 -8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.011 -9.597 -9.821 1.00 0.00 H new ATOM 0 HE ARG A 126 6.835 -11.200 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.482 -10.972 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.213 -12.715 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.467 -13.427 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.892 -14.095 -8.542 1.00 0.00 H new ATOM 803 N GLU A 127 7.127 -4.680 -6.748 1.00 0.00 N ATOM 804 CA GLU A 127 8.031 -3.547 -6.587 1.00 0.00 C ATOM 805 C GLU A 127 8.294 -3.225 -5.113 1.00 0.00 C ATOM 806 O GLU A 127 9.097 -2.345 -4.805 1.00 0.00 O ATOM 807 CB GLU A 127 7.452 -2.317 -7.288 1.00 0.00 C ATOM 808 CG GLU A 127 8.505 -1.311 -7.725 1.00 0.00 C ATOM 809 CD GLU A 127 9.006 -1.566 -9.133 1.00 0.00 C ATOM 810 OE1 GLU A 127 8.252 -1.289 -10.090 1.00 0.00 O1- ATOM 811 OE2 GLU A 127 10.152 -2.042 -9.278 1.00 0.00 O ATOM 0 H GLU A 127 6.146 -4.424 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 127 8.984 -3.821 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.886 -2.640 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.748 -1.825 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.087 -0.306 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.346 -1.346 -7.032 1.00 0.00 H new ATOM 818 N ALA A 128 7.617 -3.924 -4.200 1.00 0.00 N ATOM 819 CA ALA A 128 7.797 -3.674 -2.774 1.00 0.00 C ATOM 820 C ALA A 128 9.067 -4.334 -2.241 1.00 0.00 C ATOM 821 O ALA A 128 9.887 -3.678 -1.599 1.00 0.00 O ATOM 822 CB ALA A 128 6.582 -4.157 -2.002 1.00 0.00 C ATOM 0 H ALA A 128 6.946 -4.660 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 128 7.904 -2.598 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.727 -3.966 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.696 -3.626 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.450 -5.227 -2.163 1.00 0.00 H new ATOM 828 N ASP A 129 9.232 -5.628 -2.510 1.00 0.00 N ATOM 829 CA ASP A 129 10.412 -6.354 -2.049 1.00 0.00 C ATOM 830 C ASP A 129 10.380 -7.803 -2.519 1.00 0.00 C ATOM 831 O ASP A 129 11.190 -8.213 -3.351 1.00 0.00 O ATOM 832 CB ASP A 129 10.513 -6.305 -0.521 1.00 0.00 C ATOM 833 CG ASP A 129 11.947 -6.355 -0.035 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.647 -7.340 -0.351 1.00 0.00 O ATOM 835 OD2 ASP A 129 12.372 -5.409 0.663 1.00 0.00 O1- ATOM 0 H ASP A 129 8.568 -6.191 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 129 11.289 -5.869 -2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.041 -5.392 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.959 -7.142 -0.096 1.00 0.00 H new ATOM 915 N ILE A 136 7.442 -8.914 2.696 1.00 0.00 N ATOM 916 CA ILE A 136 7.564 -7.599 2.077 1.00 0.00 C ATOM 917 C ILE A 136 7.565 -6.483 3.116 1.00 0.00 C ATOM 918 O ILE A 136 6.602 -6.316 3.863 1.00 0.00 O ATOM 919 CB ILE A 136 6.417 -7.338 1.081 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.230 -8.531 0.141 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.689 -6.070 0.286 1.00 0.00 C ATOM 922 CD1 ILE A 136 4.867 -8.573 -0.511 1.00 0.00 C ATOM 0 HA ILE A 136 8.517 -7.599 1.548 1.00 0.00 H new ATOM 0 HB ILE A 136 5.495 -7.205 1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.995 -8.496 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.385 -9.453 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.871 -5.897 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.769 -5.223 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.622 -6.180 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.803 -9.443 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.098 -8.639 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.716 -7.667 -1.098 1.00 0.00 H new ATOM 934 N ASN A 137 8.642 -5.707 3.144 1.00 0.00 N ATOM 935 CA ASN A 137 8.753 -4.592 4.077 1.00 0.00 C ATOM 936 C ASN A 137 8.065 -3.359 3.500 1.00 0.00 C ATOM 937 O ASN A 137 8.305 -2.986 2.353 1.00 0.00 O ATOM 938 CB ASN A 137 10.223 -4.283 4.369 1.00 0.00 C ATOM 939 CG ASN A 137 10.425 -3.695 5.752 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.896 -2.629 6.069 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.195 -4.387 6.583 1.00 0.00 N ATOM 0 H ASN A 137 9.449 -5.829 2.533 1.00 0.00 H new ATOM 0 HA ASN A 137 8.264 -4.869 5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.809 -5.197 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.600 -3.585 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.368 -4.040 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.613 -5.266 6.278 1.00 0.00 H new ATOM 948 N TYR A 138 7.197 -2.736 4.292 1.00 0.00 N ATOM 949 CA TYR A 138 6.470 -1.556 3.834 1.00 0.00 C ATOM 950 C TYR A 138 7.281 -0.268 4.000 1.00 0.00 C ATOM 951 O TYR A 138 6.755 0.821 3.779 1.00 0.00 O ATOM 952 CB TYR A 138 5.137 -1.425 4.570 1.00 0.00 C ATOM 953 CG TYR A 138 5.250 -1.575 6.067 1.00 0.00 C ATOM 954 CD1 TYR A 138 5.991 -0.676 6.819 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.614 -2.616 6.726 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.096 -0.809 8.189 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.712 -2.758 8.095 1.00 0.00 C ATOM 958 CZ TYR A 138 5.455 -1.852 8.823 1.00 0.00 C ATOM 959 OH TYR A 138 5.556 -1.990 10.188 1.00 0.00 O ATOM 0 H TYR A 138 6.981 -3.025 5.246 1.00 0.00 H new ATOM 0 HA TYR A 138 6.287 -1.696 2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.702 -0.452 4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.447 -2.179 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.494 0.142 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.032 -3.327 6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.677 -0.100 8.761 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.210 -3.574 8.594 1.00 0.00 H new ATOM 0 HH TYR A 138 4.869 -2.613 10.506 1.00 0.00 H new ATOM 969 N GLU A 139 8.554 -0.384 4.378 1.00 0.00 N ATOM 970 CA GLU A 139 9.405 0.787 4.554 1.00 0.00 C ATOM 971 C GLU A 139 10.101 1.141 3.245 1.00 0.00 C ATOM 972 O GLU A 139 10.181 2.309 2.863 1.00 0.00 O ATOM 973 CB GLU A 139 10.443 0.534 5.649 1.00 0.00 C ATOM 974 CG GLU A 139 9.949 0.871 7.047 1.00 0.00 C ATOM 975 CD GLU A 139 10.765 0.196 8.132 1.00 0.00 C ATOM 976 OE1 GLU A 139 11.949 0.558 8.295 1.00 0.00 O ATOM 977 OE2 GLU A 139 10.219 -0.692 8.819 1.00 0.00 O1- ATOM 0 H GLU A 139 9.015 -1.274 4.567 1.00 0.00 H new ATOM 0 HA GLU A 139 8.777 1.626 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.740 -0.514 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.335 1.124 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 139 9.984 1.951 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 139 8.906 0.570 7.142 1.00 0.00 H new ATOM 984 N GLU A 140 10.588 0.118 2.553 1.00 0.00 N ATOM 985 CA GLU A 140 11.257 0.307 1.274 1.00 0.00 C ATOM 986 C GLU A 140 10.218 0.556 0.192 1.00 0.00 C ATOM 987 O GLU A 140 10.427 1.356 -0.720 1.00 0.00 O ATOM 988 CB GLU A 140 12.103 -0.917 0.923 1.00 0.00 C ATOM 989 CG GLU A 140 13.190 -1.217 1.942 1.00 0.00 C ATOM 990 CD GLU A 140 13.695 -2.645 1.852 1.00 0.00 C ATOM 991 OE1 GLU A 140 13.047 -3.540 2.434 1.00 0.00 O ATOM 992 OE2 GLU A 140 14.737 -2.866 1.200 1.00 0.00 O1- ATOM 0 H GLU A 140 10.531 -0.854 2.858 1.00 0.00 H new ATOM 0 HA GLU A 140 11.920 1.169 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.451 -1.786 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.564 -0.762 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.023 -0.531 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.803 -1.035 2.945 1.00 0.00 H new ATOM 999 N PHE A 141 9.089 -0.134 0.316 1.00 0.00 N ATOM 1000 CA PHE A 141 7.996 0.007 -0.631 1.00 0.00 C ATOM 1001 C PHE A 141 7.415 1.416 -0.547 1.00 0.00 C ATOM 1002 O PHE A 141 7.242 2.085 -1.564 1.00 0.00 O ATOM 1003 CB PHE A 141 6.920 -1.051 -0.347 1.00 0.00 C ATOM 1004 CG PHE A 141 5.654 -0.880 -1.141 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.663 -0.963 -2.525 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.455 -0.636 -0.496 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.496 -0.806 -3.249 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.287 -0.478 -1.214 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.307 -0.563 -2.592 1.00 0.00 C ATOM 0 H PHE A 141 8.910 -0.799 1.068 1.00 0.00 H new ATOM 0 HA PHE A 141 8.370 -0.149 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.334 -2.038 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.675 -1.026 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.592 -1.152 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.433 -0.568 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.515 -0.873 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.357 -0.288 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.394 -0.440 -3.155 1.00 0.00 H new ATOM 1019 N VAL A 142 7.128 1.868 0.673 1.00 0.00 N ATOM 1020 CA VAL A 142 6.585 3.204 0.871 1.00 0.00 C ATOM 1021 C VAL A 142 7.601 4.257 0.445 1.00 0.00 C ATOM 1022 O VAL A 142 7.240 5.324 -0.051 1.00 0.00 O ATOM 1023 CB VAL A 142 6.177 3.453 2.342 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.388 3.414 3.266 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.446 4.781 2.474 1.00 0.00 C ATOM 0 H VAL A 142 7.262 1.331 1.530 1.00 0.00 H new ATOM 0 HA VAL A 142 5.690 3.280 0.253 1.00 0.00 H new ATOM 0 HB VAL A 142 5.502 2.652 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.068 3.592 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.865 2.436 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.098 4.185 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.166 4.940 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.099 5.590 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.549 4.765 1.855 1.00 0.00 H new ATOM 1035 N ARG A 143 8.878 3.947 0.653 1.00 0.00 N ATOM 1036 CA ARG A 143 9.955 4.867 0.304 1.00 0.00 C ATOM 1037 C ARG A 143 10.157 4.955 -1.209 1.00 0.00 C ATOM 1038 O ARG A 143 10.339 6.043 -1.754 1.00 0.00 O ATOM 1039 CB ARG A 143 11.258 4.428 0.978 1.00 0.00 C ATOM 1040 CG ARG A 143 11.533 5.137 2.294 1.00 0.00 C ATOM 1041 CD ARG A 143 12.987 4.990 2.712 1.00 0.00 C ATOM 1042 NE ARG A 143 13.333 3.600 3.007 1.00 0.00 N ATOM 1043 CZ ARG A 143 14.578 3.123 3.004 1.00 0.00 C ATOM 1044 NH1 ARG A 143 15.607 3.917 2.727 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 14.795 1.844 3.282 1.00 0.00 N ATOM 0 H ARG A 143 9.191 3.066 1.061 1.00 0.00 H new ATOM 0 HA ARG A 143 9.673 5.857 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.221 3.353 1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 143 12.089 4.610 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 143 11.286 6.194 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 143 10.887 4.728 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.633 5.364 1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 143 13.176 5.605 3.592 1.00 0.00 H new ATOM 0 HE ARG A 143 12.574 2.955 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.448 4.902 2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 143 16.555 3.542 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 143 14.011 1.229 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 143 15.746 1.476 3.280 1.00 0.00 H new ATOM 1059 N MET A 144 10.148 3.807 -1.879 1.00 0.00 N ATOM 1060 CA MET A 144 10.358 3.767 -3.324 1.00 0.00 C ATOM 1061 C MET A 144 9.168 4.329 -4.102 1.00 0.00 C ATOM 1062 O MET A 144 9.343 4.896 -5.180 1.00 0.00 O ATOM 1063 CB MET A 144 10.657 2.335 -3.780 1.00 0.00 C ATOM 1064 CG MET A 144 9.473 1.384 -3.650 1.00 0.00 C ATOM 1065 SD MET A 144 9.063 0.552 -5.200 1.00 0.00 S ATOM 1066 CE MET A 144 7.891 1.706 -5.907 1.00 0.00 C ATOM 0 H MET A 144 9.998 2.895 -1.448 1.00 0.00 H new ATOM 0 HA MET A 144 11.216 4.404 -3.540 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.981 2.356 -4.821 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.490 1.945 -3.195 1.00 0.00 H new ATOM 0 HG2 MET A 144 9.697 0.635 -2.890 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.603 1.941 -3.302 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.907 1.621 -6.994 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.890 1.479 -5.540 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.162 2.722 -5.619 1.00 0.00 H new ATOM 1076 N MET A 145 7.959 4.163 -3.571 1.00 0.00 N ATOM 1077 CA MET A 145 6.764 4.653 -4.250 1.00 0.00 C ATOM 1078 C MET A 145 6.615 6.165 -4.103 1.00 0.00 C ATOM 1079 O MET A 145 6.081 6.832 -4.989 1.00 0.00 O ATOM 1080 CB MET A 145 5.515 3.948 -3.718 1.00 0.00 C ATOM 1081 CG MET A 145 5.228 4.232 -2.251 1.00 0.00 C ATOM 1082 SD MET A 145 3.538 4.790 -1.957 1.00 0.00 S ATOM 1083 CE MET A 145 2.638 3.263 -2.204 1.00 0.00 C ATOM 0 H MET A 145 7.782 3.697 -2.681 1.00 0.00 H new ATOM 0 HA MET A 145 6.875 4.427 -5.311 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.655 4.255 -4.313 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.630 2.873 -3.855 1.00 0.00 H new ATOM 0 HG2 MET A 145 5.413 3.329 -1.669 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.923 4.991 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.585 3.420 -1.971 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.737 2.946 -3.242 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.044 2.492 -1.549 1.00 0.00 H new ATOM 1093 N VAL A 146 7.090 6.705 -2.984 1.00 0.00 N ATOM 1094 CA VAL A 146 7.002 8.140 -2.741 1.00 0.00 C ATOM 1095 C VAL A 146 8.291 8.845 -3.144 1.00 0.00 C ATOM 1096 O VAL A 146 8.268 9.972 -3.638 1.00 0.00 O ATOM 1097 CB VAL A 146 6.686 8.445 -1.263 1.00 0.00 C ATOM 1098 CG1 VAL A 146 7.814 7.981 -0.350 1.00 0.00 C ATOM 1099 CG2 VAL A 146 6.409 9.928 -1.075 1.00 0.00 C ATOM 0 H VAL A 146 7.537 6.174 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 146 6.185 8.517 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 146 5.790 7.889 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.562 8.210 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.952 6.905 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.736 8.495 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.188 10.127 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 146 7.285 10.503 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 146 5.556 10.219 -1.687 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.655 -3.713 9.226 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.901 -4.315 8.128 1.00 0.00 C ATOM 1233 C GLU B1905 -9.168 -3.597 6.805 1.00 0.00 C ATOM 1234 O GLU B1905 -8.270 -2.978 6.234 1.00 0.00 O ATOM 1235 CB GLU B1905 -9.253 -5.800 7.998 1.00 0.00 C ATOM 1236 CG GLU B1905 -8.051 -6.688 7.723 1.00 0.00 C ATOM 1237 CD GLU B1905 -8.332 -8.152 7.999 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -8.308 -8.548 9.184 1.00 0.00 O1- ATOM 1239 OE2 GLU B1905 -8.577 -8.902 7.031 1.00 0.00 O ATOM 0 HA GLU B1905 -7.840 -4.214 8.357 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.737 -6.132 8.917 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -9.978 -5.924 7.193 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -7.747 -6.570 6.683 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -7.213 -6.360 8.339 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.404 -3.682 6.322 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.778 -3.037 5.066 1.00 0.00 C ATOM 1248 C GLU B1906 -10.556 -1.529 5.141 1.00 0.00 C ATOM 1249 O GLU B1906 -10.240 -0.889 4.137 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.238 -3.343 4.721 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.717 -2.683 3.435 1.00 0.00 C ATOM 1252 CD GLU B1906 -13.846 -1.696 3.666 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -13.563 -0.565 4.114 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -15.012 -2.054 3.398 1.00 0.00 O1- ATOM 0 H GLU B1906 -11.162 -4.189 6.779 1.00 0.00 H new ATOM 0 HA GLU B1906 -10.141 -3.437 4.277 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.362 -4.422 4.633 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.873 -3.016 5.545 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -11.881 -2.167 2.963 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -13.050 -3.453 2.739 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.711 -0.965 6.337 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.513 0.468 6.533 1.00 0.00 C ATOM 1263 C VAL B1907 -9.079 0.855 6.187 1.00 0.00 C ATOM 1264 O VAL B1907 -8.835 1.603 5.240 1.00 0.00 O ATOM 1265 CB VAL B1907 -10.826 0.891 7.983 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.714 2.402 8.142 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -12.211 0.412 8.391 1.00 0.00 C ATOM 0 H VAL B1907 -10.972 -1.476 7.180 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.203 0.988 5.869 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.092 0.425 8.640 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -10.939 2.677 9.172 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -9.701 2.720 7.894 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.422 2.892 7.473 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -12.415 0.719 9.417 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -12.957 0.848 7.727 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -12.255 -0.675 8.322 1.00 0.00 H new ATOM 1277 N SER B1908 -8.127 0.321 6.947 1.00 0.00 N ATOM 1278 CA SER B1908 -6.715 0.597 6.703 1.00 0.00 C ATOM 1279 C SER B1908 -6.329 0.206 5.275 1.00 0.00 C ATOM 1280 O SER B1908 -5.372 0.739 4.713 1.00 0.00 O ATOM 1281 CB SER B1908 -5.845 -0.161 7.707 1.00 0.00 C ATOM 1282 OG SER B1908 -5.521 0.654 8.819 1.00 0.00 O ATOM 0 H SER B1908 -8.307 -0.303 7.734 1.00 0.00 H new ATOM 0 HA SER B1908 -6.548 1.667 6.828 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.370 -1.053 8.047 1.00 0.00 H new ATOM 0 HB3 SER B1908 -4.930 -0.496 7.219 1.00 0.00 H new ATOM 0 HG SER B1908 -6.278 0.675 9.441 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.083 -0.724 4.692 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.824 -1.180 3.335 1.00 0.00 C ATOM 1290 C ALA B1909 -7.416 -0.226 2.300 1.00 0.00 C ATOM 1291 O ALA B1909 -6.965 -0.188 1.156 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.376 -2.584 3.137 1.00 0.00 C ATOM 0 H ALA B1909 -7.879 -1.175 5.143 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.744 -1.198 3.190 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.176 -2.913 2.117 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.897 -3.266 3.839 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.452 -2.580 3.312 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.428 0.548 2.697 1.00 0.00 N ATOM 1299 CA ILE B1910 -9.049 1.491 1.775 1.00 0.00 C ATOM 1300 C ILE B1910 -8.137 2.698 1.550 1.00 0.00 C ATOM 1301 O ILE B1910 -8.041 3.218 0.437 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.469 1.926 2.252 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.318 2.346 1.050 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.433 3.045 3.292 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -10.775 3.553 0.314 1.00 0.00 C ATOM 0 H ILE B1910 -8.827 0.539 3.636 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.184 0.983 0.820 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.919 1.061 2.740 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.388 1.509 0.355 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -12.331 2.564 1.390 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.451 3.303 3.584 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -9.878 2.710 4.168 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -9.944 3.921 2.867 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -11.428 3.792 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -10.731 4.404 0.994 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -9.774 3.333 -0.057 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.445 3.122 2.606 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.525 4.246 2.502 1.00 0.00 C ATOM 1319 C VAL B1911 -5.273 3.820 1.751 1.00 0.00 C ATOM 1320 O VAL B1911 -4.760 4.555 0.905 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.127 4.804 3.888 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.433 3.738 4.723 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.240 6.032 3.735 1.00 0.00 C ATOM 0 H VAL B1911 -7.505 2.706 3.535 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.040 5.038 1.959 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.037 5.101 4.410 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.163 4.155 5.693 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.106 2.892 4.866 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.532 3.402 4.209 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.970 6.411 4.721 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.336 5.762 3.190 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.779 6.804 3.185 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.792 2.619 2.059 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.610 2.084 1.406 1.00 0.00 C ATOM 1335 C ILE B1912 -3.853 1.961 -0.102 1.00 0.00 C ATOM 1336 O ILE B1912 -2.933 2.113 -0.905 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.179 0.729 2.054 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.661 0.670 2.181 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.692 -0.498 1.304 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.173 -0.444 3.082 1.00 0.00 C ATOM 0 H ILE B1912 -5.205 2.001 2.757 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.779 2.775 1.549 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.640 0.699 3.041 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.226 0.542 1.190 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.299 1.623 2.567 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.354 -1.402 1.811 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.782 -0.481 1.281 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.307 -0.488 0.284 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.084 -0.426 3.126 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.579 -0.306 4.084 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.504 -1.404 2.686 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.110 1.715 -0.471 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.482 1.609 -1.873 1.00 0.00 C ATOM 1354 C GLN B1913 -5.313 2.967 -2.543 1.00 0.00 C ATOM 1355 O GLN B1913 -4.774 3.072 -3.647 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.928 1.119 -2.010 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.102 0.032 -3.059 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.466 -0.629 -2.992 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.474 -0.037 -3.377 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.502 -1.864 -2.503 1.00 0.00 N ATOM 0 H GLN B1913 -5.882 1.586 0.183 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.833 0.883 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.268 0.741 -1.046 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.567 1.964 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.959 0.462 -4.050 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.329 -0.724 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.641 -2.316 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.391 -2.360 -2.435 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.757 4.011 -1.846 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.638 5.372 -2.351 1.00 0.00 C ATOM 1371 C ARG B1914 -4.167 5.721 -2.573 1.00 0.00 C ATOM 1372 O ARG B1914 -3.825 6.470 -3.489 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.281 6.361 -1.373 1.00 0.00 C ATOM 1374 CG ARG B1914 -7.240 7.340 -2.041 1.00 0.00 C ATOM 1375 CD ARG B1914 -8.654 7.233 -1.481 1.00 0.00 C ATOM 1376 NE ARG B1914 -9.050 8.442 -0.761 1.00 0.00 N ATOM 1377 CZ ARG B1914 -10.068 8.500 0.099 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -10.800 7.422 0.355 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -10.355 9.645 0.704 1.00 0.00 N ATOM 0 H ARG B1914 -6.202 3.938 -0.931 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.162 5.441 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.819 5.804 -0.606 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.495 6.922 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -6.873 8.357 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.261 7.151 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -9.354 7.051 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -8.715 6.375 -0.811 1.00 0.00 H new ATOM 0 HE ARG B1914 -8.515 9.294 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -10.586 6.539 -0.108 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -11.576 7.477 1.014 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -9.798 10.477 0.511 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -11.133 9.693 1.362 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.303 5.158 -1.733 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.869 5.392 -1.838 1.00 0.00 C ATOM 1395 C ALA B1915 -1.338 4.866 -3.165 1.00 0.00 C ATOM 1396 O ALA B1915 -0.532 5.521 -3.827 1.00 0.00 O ATOM 1397 CB ALA B1915 -1.138 4.737 -0.676 1.00 0.00 C ATOM 0 H ALA B1915 -3.573 4.536 -0.971 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.691 6.467 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA B1915 -0.068 4.921 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.498 5.157 0.263 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.324 3.663 -0.688 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.807 3.682 -3.557 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.388 3.073 -4.815 1.00 0.00 C ATOM 1405 C TYR B1916 -1.755 3.980 -5.983 1.00 0.00 C ATOM 1406 O TYR B1916 -1.023 4.071 -6.968 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.036 1.698 -4.989 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.759 0.752 -3.841 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.496 0.670 -3.273 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.763 -0.057 -3.326 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.240 -0.187 -2.222 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.516 -0.919 -2.273 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.252 -0.979 -1.724 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.001 -1.835 -0.677 1.00 0.00 O ATOM 0 H TYR B1916 -2.476 3.128 -3.022 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.306 2.943 -4.794 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.114 1.823 -5.094 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.675 1.249 -5.915 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.301 1.288 -3.660 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.753 -0.012 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.749 -0.237 -1.792 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.308 -1.541 -1.883 1.00 0.00 H new ATOM 0 HH TYR B1916 -0.174 -1.565 -0.225 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.889 4.664 -5.855 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.343 5.584 -6.890 1.00 0.00 C ATOM 1426 C ARG B1917 -2.326 6.705 -7.072 1.00 0.00 C ATOM 1427 O ARG B1917 -2.035 7.123 -8.193 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.715 6.162 -6.525 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.868 5.506 -7.273 1.00 0.00 C ATOM 1430 CD ARG B1917 -6.863 4.854 -6.324 1.00 0.00 C ATOM 1431 NE ARG B1917 -8.081 4.431 -7.014 1.00 0.00 N ATOM 1432 CZ ARG B1917 -9.025 5.267 -7.446 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -8.903 6.579 -7.262 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -10.096 4.791 -8.064 1.00 0.00 N ATOM 0 H ARG B1917 -3.508 4.598 -5.047 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.438 5.039 -7.829 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.875 6.047 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.718 7.232 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -6.380 6.254 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.475 4.755 -7.959 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -6.398 3.991 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -7.121 5.556 -5.531 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.217 3.433 -7.175 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.082 6.953 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -9.631 7.211 -7.596 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -10.197 3.786 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -10.819 5.429 -8.395 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.778 7.178 -5.955 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.779 8.239 -5.980 1.00 0.00 C ATOM 1450 C ARG B1918 0.560 7.690 -6.460 1.00 0.00 C ATOM 1451 O ARG B1918 1.308 8.368 -7.164 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.625 8.855 -4.589 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.178 10.308 -4.609 1.00 0.00 C ATOM 1454 CD ARG B1918 0.137 10.814 -3.211 1.00 0.00 C ATOM 1455 NE ARG B1918 0.286 12.267 -3.173 1.00 0.00 N ATOM 1456 CZ ARG B1918 -0.735 13.124 -3.155 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -1.989 12.683 -3.175 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -0.502 14.429 -3.118 1.00 0.00 N ATOM 0 H ARG B1918 -2.011 6.841 -5.021 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.111 9.013 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.577 8.784 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.098 8.270 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG B1918 0.704 10.409 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -0.960 10.924 -5.052 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -0.659 10.514 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG B1918 1.055 10.346 -2.855 1.00 0.00 H new ATOM 0 HE ARG B1918 1.231 12.650 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -2.177 11.681 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -2.763 13.347 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG B1918 0.457 14.776 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -1.282 15.086 -3.104 1.00 0.00 H new ATOM 1472 N TYR B1919 0.848 6.449 -6.077 1.00 0.00 N ATOM 1473 CA TYR B1919 2.089 5.789 -6.468 1.00 0.00 C ATOM 1474 C TYR B1919 2.174 5.685 -7.993 1.00 0.00 C ATOM 1475 O TYR B1919 3.175 6.070 -8.596 1.00 0.00 O ATOM 1476 CB TYR B1919 2.161 4.395 -5.812 1.00 0.00 C ATOM 1477 CG TYR B1919 3.186 3.452 -6.417 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.456 3.896 -6.761 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.875 2.117 -6.648 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.386 3.039 -7.318 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.799 1.254 -7.205 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.053 1.719 -7.537 1.00 0.00 C ATOM 1483 OH TYR B1919 5.974 0.862 -8.093 1.00 0.00 O ATOM 0 H TYR B1919 0.236 5.879 -5.494 1.00 0.00 H new ATOM 0 HA TYR B1919 2.939 6.379 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.385 4.520 -4.753 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.178 3.929 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.721 4.929 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.894 1.748 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.369 3.401 -7.581 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.540 0.220 -7.379 1.00 0.00 H new ATOM 0 HH TYR B1919 5.580 -0.031 -8.179 1.00 0.00 H new ATOM 1493 N LEU B1920 1.117 5.162 -8.603 1.00 0.00 N ATOM 1494 CA LEU B1920 1.069 5.005 -10.051 1.00 0.00 C ATOM 1495 C LEU B1920 0.982 6.364 -10.742 1.00 0.00 C ATOM 1496 O LEU B1920 1.730 6.645 -11.678 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.124 4.127 -10.448 1.00 0.00 C ATOM 1498 CG LEU B1920 0.211 2.968 -11.387 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.764 1.787 -10.602 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.020 2.554 -12.180 1.00 0.00 C ATOM 0 H LEU B1920 0.281 4.839 -8.116 1.00 0.00 H new ATOM 0 HA LEU B1920 1.989 4.517 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.575 3.722 -9.542 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.876 4.756 -10.925 1.00 0.00 H new ATOM 0 HG LEU B1920 0.976 3.302 -12.088 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.997 0.972 -11.287 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.670 2.091 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU B1920 0.021 1.452 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -0.764 1.728 -12.844 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.806 2.238 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.373 3.399 -12.772 1.00 0.00 H new