USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 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 107 HIS : no HE2:sc= -4.32! C(o=-7.7!,f=-8.5!) USER MOD Set 1.2: A 111 ASN : amide:sc= -3.37! C(o=-7.7!,f=-8.5!) USER MOD Single : A 81 SER OG : rot 28:sc= 0.0705 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 25:sc= 0.0164 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -81:sc= 1 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 124 MET CE :methyl -111:sc= -0.0437 (180deg=-0.317) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 137 ASN :FLIP amide:sc= -2.08! C(o=-4.6!,f=-2.1!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.451 USER MOD Single : A 143 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 144 MET CE :methyl 180:sc= -0.646 (180deg=-0.646) USER MOD Single : A 145 MET CE :methyl 141:sc= -0.0501 (180deg=-1.14) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -2.97! C(o=-3!,f=-12!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.31) USER MOD Single : B 52 LYS NZ :NH3+ 164:sc= -0.0254 (180deg=-0.475) USER MOD Single : B 54 GLN : amide:sc= -4.05! C(o=-4!,f=-4.1!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 6.078 -6.976 -12.407 1.00 0.00 N ATOM 81 CA SER A 81 6.200 -7.019 -10.952 1.00 0.00 C ATOM 82 C SER A 81 4.941 -6.494 -10.277 1.00 0.00 C ATOM 83 O SER A 81 4.813 -6.559 -9.054 1.00 0.00 O ATOM 84 CB SER A 81 7.404 -6.188 -10.505 1.00 0.00 C ATOM 85 OG SER A 81 8.593 -6.759 -11.036 1.00 0.00 O ATOM 0 HA SER A 81 6.340 -8.059 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.297 -5.159 -10.847 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.456 -6.158 -9.417 1.00 0.00 H new ATOM 0 HG SER A 81 8.386 -7.229 -11.871 1.00 0.00 H new ATOM 91 N GLU A 82 4.012 -5.969 -11.067 1.00 0.00 N ATOM 92 CA GLU A 82 2.778 -5.438 -10.504 1.00 0.00 C ATOM 93 C GLU A 82 2.105 -6.490 -9.640 1.00 0.00 C ATOM 94 O GLU A 82 1.450 -6.175 -8.646 1.00 0.00 O ATOM 95 CB GLU A 82 1.833 -5.017 -11.628 1.00 0.00 C ATOM 96 CG GLU A 82 1.447 -6.245 -12.457 1.00 0.00 C ATOM 97 CD GLU A 82 0.287 -7.000 -11.807 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.473 -6.381 -11.081 1.00 0.00 O ATOM 99 OE2 GLU A 82 0.176 -8.190 -12.047 1.00 0.00 O ATOM 0 H GLU A 82 4.087 -5.900 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 82 3.016 -4.570 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.940 -4.551 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.314 -4.273 -12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.166 -5.935 -13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.307 -6.907 -12.556 1.00 0.00 H new ATOM 106 N GLU A 83 2.288 -7.740 -10.024 1.00 0.00 N ATOM 107 CA GLU A 83 1.712 -8.852 -9.279 1.00 0.00 C ATOM 108 C GLU A 83 2.417 -9.006 -7.933 1.00 0.00 C ATOM 109 O GLU A 83 1.794 -9.350 -6.928 1.00 0.00 O ATOM 110 CB GLU A 83 1.858 -10.147 -10.083 1.00 0.00 C ATOM 111 CG GLU A 83 3.343 -10.505 -10.222 1.00 0.00 C ATOM 112 CD GLU A 83 3.507 -11.671 -11.191 1.00 0.00 C ATOM 113 OE1 GLU A 83 2.502 -12.141 -11.698 1.00 0.00 O ATOM 114 OE2 GLU A 83 4.637 -12.077 -11.412 1.00 0.00 O ATOM 0 H GLU A 83 2.829 -8.014 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 83 0.655 -8.648 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.324 -10.957 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.409 -10.027 -11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.902 -9.641 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.755 -10.769 -9.248 1.00 0.00 H new ATOM 121 N GLU A 84 3.726 -8.754 -7.927 1.00 0.00 N ATOM 122 CA GLU A 84 4.514 -8.871 -6.703 1.00 0.00 C ATOM 123 C GLU A 84 4.022 -7.879 -5.652 1.00 0.00 C ATOM 124 O GLU A 84 3.792 -8.242 -4.497 1.00 0.00 O ATOM 125 CB GLU A 84 5.991 -8.607 -7.019 1.00 0.00 C ATOM 126 CG GLU A 84 6.833 -8.783 -5.752 1.00 0.00 C ATOM 127 CD GLU A 84 8.310 -8.592 -6.078 1.00 0.00 C ATOM 128 OE1 GLU A 84 8.613 -8.336 -7.232 1.00 0.00 O ATOM 129 OE2 GLU A 84 9.117 -8.705 -5.171 1.00 0.00 O ATOM 0 H GLU A 84 4.258 -8.470 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 84 4.401 -9.879 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.335 -9.293 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.114 -7.597 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.523 -8.062 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.670 -9.775 -5.332 1.00 0.00 H new ATOM 136 N ILE A 85 3.836 -6.633 -6.071 1.00 0.00 N ATOM 137 CA ILE A 85 3.341 -5.599 -5.172 1.00 0.00 C ATOM 138 C ILE A 85 1.919 -5.934 -4.747 1.00 0.00 C ATOM 139 O ILE A 85 1.534 -5.740 -3.595 1.00 0.00 O ATOM 140 CB ILE A 85 3.369 -4.230 -5.861 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.819 -3.751 -6.025 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.597 -3.218 -5.011 1.00 0.00 C ATOM 143 CD1 ILE A 85 5.284 -3.027 -4.755 1.00 0.00 C ATOM 0 H ILE A 85 4.020 -6.316 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 85 3.985 -5.558 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 85 2.907 -4.318 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.470 -4.602 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.894 -3.082 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.616 -2.244 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.564 -3.549 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.061 -3.140 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.313 -2.692 -4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.642 -2.165 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.227 -3.709 -3.906 1.00 0.00 H new ATOM 155 N ARG A 86 1.153 -6.446 -5.702 1.00 0.00 N ATOM 156 CA ARG A 86 -0.234 -6.828 -5.473 1.00 0.00 C ATOM 157 C ARG A 86 -0.328 -7.894 -4.384 1.00 0.00 C ATOM 158 O ARG A 86 -1.267 -7.899 -3.587 1.00 0.00 O ATOM 159 CB ARG A 86 -0.816 -7.371 -6.776 1.00 0.00 C ATOM 160 CG ARG A 86 -2.307 -7.661 -6.613 1.00 0.00 C ATOM 161 CD ARG A 86 -2.857 -8.173 -7.945 1.00 0.00 C ATOM 162 NE ARG A 86 -4.279 -8.476 -7.826 1.00 0.00 N ATOM 163 CZ ARG A 86 -4.974 -8.930 -8.864 1.00 0.00 C ATOM 164 NH1 ARG A 86 -4.385 -9.108 -10.015 1.00 0.00 N ATOM 165 NH2 ARG A 86 -6.245 -9.197 -8.734 1.00 0.00 N ATOM 0 H ARG A 86 1.476 -6.608 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.796 -5.954 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.665 -6.649 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.291 -8.282 -7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.464 -8.402 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.836 -6.758 -6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.702 -7.424 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.313 -9.066 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.748 -8.337 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.392 -8.899 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.918 -9.456 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.706 -9.057 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.777 -9.545 -9.531 1.00 0.00 H new ATOM 179 N GLU A 87 0.644 -8.802 -4.361 1.00 0.00 N ATOM 180 CA GLU A 87 0.651 -9.874 -3.372 1.00 0.00 C ATOM 181 C GLU A 87 0.622 -9.281 -1.965 1.00 0.00 C ATOM 182 O GLU A 87 -0.084 -9.773 -1.084 1.00 0.00 O ATOM 183 CB GLU A 87 1.906 -10.733 -3.546 1.00 0.00 C ATOM 184 CG GLU A 87 1.880 -11.894 -2.549 1.00 0.00 C ATOM 185 CD GLU A 87 3.091 -12.795 -2.768 1.00 0.00 C ATOM 186 OE1 GLU A 87 3.874 -12.497 -3.655 1.00 0.00 O ATOM 187 OE2 GLU A 87 3.218 -13.770 -2.045 1.00 0.00 O ATOM 0 H GLU A 87 1.430 -8.817 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.232 -10.497 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.957 -11.117 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.798 -10.126 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.882 -11.509 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.962 -12.469 -2.671 1.00 0.00 H new ATOM 194 N ALA A 88 1.384 -8.216 -1.767 1.00 0.00 N ATOM 195 CA ALA A 88 1.431 -7.551 -0.472 1.00 0.00 C ATOM 196 C ALA A 88 0.047 -7.051 -0.077 1.00 0.00 C ATOM 197 O ALA A 88 -0.319 -7.086 1.097 1.00 0.00 O ATOM 198 CB ALA A 88 2.410 -6.375 -0.521 1.00 0.00 C ATOM 0 H ALA A 88 1.976 -7.794 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 88 1.770 -8.271 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.438 -5.884 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.406 -6.741 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.084 -5.662 -1.278 1.00 0.00 H new ATOM 204 N PHE A 89 -0.740 -6.622 -1.062 1.00 0.00 N ATOM 205 CA PHE A 89 -2.094 -6.166 -0.780 1.00 0.00 C ATOM 206 C PHE A 89 -2.997 -7.357 -0.468 1.00 0.00 C ATOM 207 O PHE A 89 -3.829 -7.299 0.436 1.00 0.00 O ATOM 208 CB PHE A 89 -2.646 -5.372 -1.967 1.00 0.00 C ATOM 209 CG PHE A 89 -2.019 -3.999 -1.970 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.579 -2.976 -1.195 1.00 0.00 C ATOM 211 CD2 PHE A 89 -0.875 -3.750 -2.736 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.996 -1.704 -1.188 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.288 -2.477 -2.728 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.851 -1.455 -1.954 1.00 0.00 C ATOM 0 H PHE A 89 -0.468 -6.582 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.069 -5.511 0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.426 -5.889 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.731 -5.291 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.461 -3.169 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.444 -4.539 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.429 -0.915 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.596 -2.285 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.401 -0.473 -1.948 1.00 0.00 H new ATOM 224 N ARG A 90 -2.832 -8.433 -1.238 1.00 0.00 N ATOM 225 CA ARG A 90 -3.652 -9.627 -1.044 1.00 0.00 C ATOM 226 C ARG A 90 -3.788 -9.933 0.439 1.00 0.00 C ATOM 227 O ARG A 90 -4.799 -10.478 0.878 1.00 0.00 O ATOM 228 CB ARG A 90 -3.033 -10.836 -1.754 1.00 0.00 C ATOM 229 CG ARG A 90 -3.884 -11.243 -2.966 1.00 0.00 C ATOM 230 CD ARG A 90 -3.766 -10.185 -4.061 1.00 0.00 C ATOM 231 NE ARG A 90 -4.865 -10.314 -5.011 1.00 0.00 N ATOM 232 CZ ARG A 90 -4.802 -11.172 -6.024 1.00 0.00 C ATOM 233 NH1 ARG A 90 -3.739 -11.913 -6.187 1.00 0.00 N ATOM 234 NH2 ARG A 90 -5.800 -11.271 -6.859 1.00 0.00 N ATOM 0 H ARG A 90 -2.148 -8.502 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.636 -9.432 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.020 -10.596 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.956 -11.672 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.554 -12.210 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.926 -11.356 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.775 -9.190 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.813 -10.294 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.697 -9.735 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.957 -11.833 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.691 -12.572 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.629 -10.690 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.751 -11.930 -7.636 1.00 0.00 H new ATOM 248 N VAL A 91 -2.770 -9.572 1.209 1.00 0.00 N ATOM 249 CA VAL A 91 -2.796 -9.808 2.642 1.00 0.00 C ATOM 250 C VAL A 91 -3.948 -9.046 3.294 1.00 0.00 C ATOM 251 O VAL A 91 -4.631 -9.578 4.169 1.00 0.00 O ATOM 252 CB VAL A 91 -1.466 -9.383 3.264 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.590 -9.411 4.790 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.373 -10.363 2.828 1.00 0.00 C ATOM 0 H VAL A 91 -1.923 -9.118 0.867 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.948 -10.873 2.815 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.211 -8.375 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.643 -9.108 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.376 -8.724 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.839 -10.421 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.579 -10.066 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.630 -11.368 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.289 -10.354 1.741 1.00 0.00 H new ATOM 264 N PHE A 92 -4.170 -7.807 2.865 1.00 0.00 N ATOM 265 CA PHE A 92 -5.258 -7.013 3.426 1.00 0.00 C ATOM 266 C PHE A 92 -6.575 -7.373 2.743 1.00 0.00 C ATOM 267 O PHE A 92 -7.645 -7.267 3.344 1.00 0.00 O ATOM 268 CB PHE A 92 -4.973 -5.517 3.258 1.00 0.00 C ATOM 269 CG PHE A 92 -3.574 -5.197 3.748 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.185 -5.520 5.057 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.659 -4.580 2.885 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.889 -5.225 5.497 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.364 -4.288 3.328 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.980 -4.610 4.633 1.00 0.00 C ATOM 0 H PHE A 92 -3.622 -7.338 2.144 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.336 -7.235 4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.074 -5.235 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.705 -4.934 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.886 -5.997 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.953 -4.329 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.592 -5.473 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.660 -3.813 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.020 -4.383 4.973 1.00 0.00 H new ATOM 284 N ASP A 93 -6.492 -7.823 1.491 1.00 0.00 N ATOM 285 CA ASP A 93 -7.687 -8.220 0.755 1.00 0.00 C ATOM 286 C ASP A 93 -7.928 -9.716 0.954 1.00 0.00 C ATOM 287 O ASP A 93 -7.329 -10.540 0.265 1.00 0.00 O ATOM 288 CB ASP A 93 -7.520 -7.933 -0.737 1.00 0.00 C ATOM 289 CG ASP A 93 -8.808 -8.275 -1.480 1.00 0.00 C ATOM 290 OD1 ASP A 93 -9.706 -8.810 -0.851 1.00 0.00 O ATOM 291 OD2 ASP A 93 -8.876 -7.997 -2.666 1.00 0.00 O ATOM 0 H ASP A 93 -5.619 -7.920 0.972 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.536 -7.649 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.271 -6.883 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.692 -8.518 -1.138 1.00 0.00 H new ATOM 296 N LYS A 94 -8.793 -10.065 1.902 1.00 0.00 N ATOM 297 CA LYS A 94 -9.074 -11.472 2.174 1.00 0.00 C ATOM 298 C LYS A 94 -10.344 -11.895 1.467 1.00 0.00 C ATOM 299 O LYS A 94 -10.599 -13.084 1.275 1.00 0.00 O ATOM 300 CB LYS A 94 -9.242 -11.691 3.674 1.00 0.00 C ATOM 301 CG LYS A 94 -8.232 -10.827 4.415 1.00 0.00 C ATOM 302 CD LYS A 94 -8.307 -11.126 5.912 1.00 0.00 C ATOM 303 CE LYS A 94 -7.288 -10.265 6.658 1.00 0.00 C ATOM 304 NZ LYS A 94 -7.360 -10.569 8.114 1.00 0.00 N ATOM 0 H LYS A 94 -9.305 -9.405 2.487 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.238 -12.069 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.256 -11.433 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.092 -12.742 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.226 -11.025 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.437 -9.772 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.311 -10.923 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.108 -12.182 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.284 -10.462 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.491 -9.208 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.668 -9.985 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.316 -10.360 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.146 -11.575 8.270 1.00 0.00 H new ATOM 318 N ASP A 95 -11.126 -10.910 1.066 1.00 0.00 N ATOM 319 CA ASP A 95 -12.366 -11.190 0.355 1.00 0.00 C ATOM 320 C ASP A 95 -12.055 -11.469 -1.108 1.00 0.00 C ATOM 321 O ASP A 95 -12.794 -12.177 -1.792 1.00 0.00 O ATOM 322 CB ASP A 95 -13.316 -9.996 0.460 1.00 0.00 C ATOM 323 CG ASP A 95 -13.677 -9.744 1.919 1.00 0.00 C ATOM 324 OD1 ASP A 95 -13.829 -10.711 2.647 1.00 0.00 O ATOM 325 OD2 ASP A 95 -13.794 -8.586 2.288 1.00 0.00 O ATOM 0 H ASP A 95 -10.931 -9.920 1.216 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.845 -12.061 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.847 -9.109 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.219 -10.188 -0.119 1.00 0.00 H new ATOM 330 N GLY A 96 -10.952 -10.897 -1.581 1.00 0.00 N ATOM 331 CA GLY A 96 -10.543 -11.076 -2.965 1.00 0.00 C ATOM 332 C GLY A 96 -11.501 -10.348 -3.898 1.00 0.00 C ATOM 333 O GLY A 96 -11.721 -10.771 -5.034 1.00 0.00 O ATOM 0 H GLY A 96 -10.330 -10.309 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.531 -10.697 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.522 -12.138 -3.211 1.00 0.00 H new ATOM 337 N ASN A 97 -12.069 -9.250 -3.410 1.00 0.00 N ATOM 338 CA ASN A 97 -13.005 -8.468 -4.208 1.00 0.00 C ATOM 339 C ASN A 97 -12.287 -7.321 -4.912 1.00 0.00 C ATOM 340 O ASN A 97 -12.902 -6.564 -5.663 1.00 0.00 O ATOM 341 CB ASN A 97 -14.109 -7.905 -3.310 1.00 0.00 C ATOM 342 CG ASN A 97 -15.013 -9.034 -2.825 1.00 0.00 C ATOM 343 OD1 ASN A 97 -15.056 -10.102 -3.434 1.00 0.00 O ATOM 344 ND2 ASN A 97 -15.740 -8.859 -1.756 1.00 0.00 N ATOM 0 H ASN A 97 -11.899 -8.884 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.444 -9.122 -4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.668 -7.389 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.696 -7.169 -3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.346 -9.609 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.702 -7.972 -1.253 1.00 0.00 H new ATOM 351 N GLY A 98 -10.983 -7.202 -4.675 1.00 0.00 N ATOM 352 CA GLY A 98 -10.200 -6.140 -5.302 1.00 0.00 C ATOM 353 C GLY A 98 -10.101 -4.907 -4.404 1.00 0.00 C ATOM 354 O GLY A 98 -9.653 -3.849 -4.846 1.00 0.00 O ATOM 0 H GLY A 98 -10.451 -7.819 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.199 -6.509 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.657 -5.863 -6.252 1.00 0.00 H new ATOM 358 N TYR A 99 -10.529 -5.043 -3.149 1.00 0.00 N ATOM 359 CA TYR A 99 -10.483 -3.912 -2.219 1.00 0.00 C ATOM 360 C TYR A 99 -9.984 -4.321 -0.837 1.00 0.00 C ATOM 361 O TYR A 99 -10.088 -5.481 -0.439 1.00 0.00 O ATOM 362 CB TYR A 99 -11.871 -3.295 -2.064 1.00 0.00 C ATOM 363 CG TYR A 99 -12.415 -2.883 -3.406 1.00 0.00 C ATOM 364 CD1 TYR A 99 -12.837 -3.859 -4.311 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.519 -1.528 -3.736 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.359 -3.486 -5.553 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.043 -1.151 -4.980 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.460 -2.131 -5.890 1.00 0.00 C ATOM 369 OH TYR A 99 -13.975 -1.760 -7.116 1.00 0.00 O ATOM 0 H TYR A 99 -10.905 -5.907 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.786 -3.189 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.545 -4.013 -1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.819 -2.429 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.760 -4.904 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.196 -0.774 -3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.684 -4.242 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.125 -0.105 -5.237 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.976 -0.783 -7.188 1.00 0.00 H new ATOM 379 N ILE A 100 -9.489 -3.330 -0.094 1.00 0.00 N ATOM 380 CA ILE A 100 -9.024 -3.547 1.272 1.00 0.00 C ATOM 381 C ILE A 100 -9.669 -2.481 2.148 1.00 0.00 C ATOM 382 O ILE A 100 -9.892 -1.362 1.690 1.00 0.00 O ATOM 383 CB ILE A 100 -7.487 -3.440 1.362 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.053 -1.999 1.642 1.00 0.00 C ATOM 385 CG2 ILE A 100 -6.868 -3.862 0.036 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.542 -1.880 1.433 1.00 0.00 C ATOM 0 H ILE A 100 -9.401 -2.367 -0.419 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.301 -4.548 1.602 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.154 -4.087 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.579 -1.312 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.314 -1.719 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.783 -3.786 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.147 -4.892 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.231 -3.210 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.227 -0.856 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.026 -2.556 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.295 -2.143 0.404 1.00 0.00 H new ATOM 398 N SER A 101 -9.979 -2.807 3.392 1.00 0.00 N ATOM 399 CA SER A 101 -10.606 -1.821 4.261 1.00 0.00 C ATOM 400 C SER A 101 -9.702 -0.599 4.401 1.00 0.00 C ATOM 401 O SER A 101 -8.516 -0.728 4.665 1.00 0.00 O ATOM 402 CB SER A 101 -10.863 -2.427 5.640 1.00 0.00 C ATOM 403 OG SER A 101 -11.436 -1.438 6.486 1.00 0.00 O ATOM 0 H SER A 101 -9.813 -3.720 3.816 1.00 0.00 H new ATOM 0 HA SER A 101 -11.555 -1.518 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.533 -3.283 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.930 -2.794 6.069 1.00 0.00 H new ATOM 0 HG SER A 101 -11.887 -0.762 5.939 1.00 0.00 H new ATOM 409 N ALA A 102 -10.262 0.587 4.216 1.00 0.00 N ATOM 410 CA ALA A 102 -9.476 1.813 4.330 1.00 0.00 C ATOM 411 C ALA A 102 -8.947 1.984 5.759 1.00 0.00 C ATOM 412 O ALA A 102 -7.848 2.489 5.973 1.00 0.00 O ATOM 413 CB ALA A 102 -10.325 3.025 3.932 1.00 0.00 C ATOM 0 H ALA A 102 -11.246 0.730 3.989 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.625 1.741 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.728 3.933 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.661 2.911 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.191 3.094 4.590 1.00 0.00 H new ATOM 419 N ALA A 103 -9.767 1.595 6.729 1.00 0.00 N ATOM 420 CA ALA A 103 -9.410 1.740 8.143 1.00 0.00 C ATOM 421 C ALA A 103 -8.128 0.981 8.513 1.00 0.00 C ATOM 422 O ALA A 103 -7.300 1.498 9.264 1.00 0.00 O ATOM 423 CB ALA A 103 -10.562 1.241 9.015 1.00 0.00 C ATOM 0 H ALA A 103 -10.683 1.177 6.567 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.223 2.799 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.296 1.349 10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.457 1.827 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.756 0.191 8.796 1.00 0.00 H new ATOM 429 N GLU A 104 -7.962 -0.241 8.008 1.00 0.00 N ATOM 430 CA GLU A 104 -6.766 -1.020 8.338 1.00 0.00 C ATOM 431 C GLU A 104 -5.520 -0.368 7.751 1.00 0.00 C ATOM 432 O GLU A 104 -4.422 -0.507 8.289 1.00 0.00 O ATOM 433 CB GLU A 104 -6.891 -2.463 7.828 1.00 0.00 C ATOM 434 CG GLU A 104 -6.672 -2.528 6.316 1.00 0.00 C ATOM 435 CD GLU A 104 -5.245 -2.969 6.007 1.00 0.00 C ATOM 436 OE1 GLU A 104 -4.817 -3.960 6.572 1.00 0.00 O ATOM 437 OE2 GLU A 104 -4.601 -2.307 5.211 1.00 0.00 O ATOM 0 H GLU A 104 -8.622 -0.705 7.384 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.674 -1.043 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.161 -3.096 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.878 -2.856 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.380 -3.225 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.862 -1.551 5.872 1.00 0.00 H new ATOM 444 N LEU A 105 -5.700 0.339 6.645 1.00 0.00 N ATOM 445 CA LEU A 105 -4.581 1.004 5.989 1.00 0.00 C ATOM 446 C LEU A 105 -3.969 2.042 6.923 1.00 0.00 C ATOM 447 O LEU A 105 -2.755 2.087 7.101 1.00 0.00 O ATOM 448 CB LEU A 105 -5.061 1.675 4.698 1.00 0.00 C ATOM 449 CG LEU A 105 -3.876 2.285 3.950 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.900 1.803 2.497 1.00 0.00 C ATOM 451 CD2 LEU A 105 -3.986 3.810 3.980 1.00 0.00 C ATOM 0 H LEU A 105 -6.601 0.467 6.185 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.821 0.263 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.563 0.944 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.791 2.450 4.932 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.944 1.979 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.057 2.234 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.828 0.716 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.832 2.116 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.141 4.246 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.916 4.117 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.980 4.155 5.014 1.00 0.00 H new ATOM 463 N ARG A 106 -4.820 2.877 7.516 1.00 0.00 N ATOM 464 CA ARG A 106 -4.342 3.914 8.428 1.00 0.00 C ATOM 465 C ARG A 106 -3.519 3.296 9.551 1.00 0.00 C ATOM 466 O ARG A 106 -2.395 3.723 9.813 1.00 0.00 O ATOM 467 CB ARG A 106 -5.557 4.658 9.010 1.00 0.00 C ATOM 468 CG ARG A 106 -5.159 5.592 10.168 1.00 0.00 C ATOM 469 CD ARG A 106 -4.133 6.616 9.709 1.00 0.00 C ATOM 470 NE ARG A 106 -3.939 7.629 10.738 1.00 0.00 N ATOM 471 CZ ARG A 106 -4.743 8.682 10.824 1.00 0.00 C ATOM 472 NH1 ARG A 106 -5.722 8.826 9.972 1.00 0.00 N ATOM 473 NH2 ARG A 106 -4.556 9.573 11.759 1.00 0.00 N ATOM 0 H ARG A 106 -5.831 2.857 7.384 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.705 4.612 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.037 5.240 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.291 3.934 9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.043 6.103 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.750 5.005 10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.186 6.121 9.492 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.466 7.086 8.784 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.173 7.528 11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.869 8.130 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.340 9.635 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.791 9.461 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.174 10.382 11.824 1.00 0.00 H new ATOM 487 N HIS A 107 -4.071 2.283 10.207 1.00 0.00 N ATOM 488 CA HIS A 107 -3.364 1.613 11.294 1.00 0.00 C ATOM 489 C HIS A 107 -2.102 0.903 10.794 1.00 0.00 C ATOM 490 O HIS A 107 -1.031 1.018 11.385 1.00 0.00 O ATOM 491 CB HIS A 107 -4.303 0.606 11.959 1.00 0.00 C ATOM 492 CG HIS A 107 -3.551 -0.195 12.982 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.113 0.352 14.178 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.159 -1.509 13.003 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.488 -0.623 14.863 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.488 -1.778 14.192 1.00 0.00 N ATOM 0 H HIS A 107 -4.999 1.909 10.008 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.052 2.367 12.017 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.134 1.128 12.433 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.730 -0.057 11.207 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.241 1.317 14.483 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.343 -2.226 12.216 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.041 -0.488 15.837 1.00 0.00 H new ATOM 505 N VAL A 108 -2.255 0.151 9.711 1.00 0.00 N ATOM 506 CA VAL A 108 -1.151 -0.613 9.127 1.00 0.00 C ATOM 507 C VAL A 108 -0.009 0.277 8.635 1.00 0.00 C ATOM 508 O VAL A 108 1.164 -0.070 8.781 1.00 0.00 O ATOM 509 CB VAL A 108 -1.679 -1.451 7.962 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.509 -2.067 7.195 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.569 -2.568 8.511 1.00 0.00 C ATOM 0 H VAL A 108 -3.140 0.051 9.213 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.746 -1.251 9.913 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.254 -0.815 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.891 -2.663 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.130 -1.274 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.069 -2.704 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.949 -3.170 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.988 -3.200 9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.405 -2.132 9.057 1.00 0.00 H new ATOM 521 N MET A 109 -0.350 1.412 8.044 1.00 0.00 N ATOM 522 CA MET A 109 0.672 2.321 7.529 1.00 0.00 C ATOM 523 C MET A 109 1.430 3.010 8.657 1.00 0.00 C ATOM 524 O MET A 109 2.589 3.379 8.487 1.00 0.00 O ATOM 525 CB MET A 109 0.051 3.382 6.618 1.00 0.00 C ATOM 526 CG MET A 109 0.095 2.893 5.170 1.00 0.00 C ATOM 527 SD MET A 109 -0.479 1.177 5.096 1.00 0.00 S ATOM 528 CE MET A 109 0.200 0.772 3.469 1.00 0.00 C ATOM 0 H MET A 109 -1.311 1.726 7.908 1.00 0.00 H new ATOM 0 HA MET A 109 1.374 1.716 6.955 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.979 3.577 6.917 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.594 4.322 6.713 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.533 3.525 4.542 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.111 2.965 4.781 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.042 -0.261 3.221 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.231 1.436 2.719 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.283 0.897 3.485 1.00 0.00 H new ATOM 538 N THR A 110 0.767 3.213 9.792 1.00 0.00 N ATOM 539 CA THR A 110 1.397 3.903 10.915 1.00 0.00 C ATOM 540 C THR A 110 1.785 2.947 12.046 1.00 0.00 C ATOM 541 O THR A 110 2.525 3.330 12.951 1.00 0.00 O ATOM 542 CB THR A 110 0.432 4.960 11.453 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.714 4.320 11.998 1.00 0.00 O ATOM 544 CG2 THR A 110 0.004 5.875 10.309 1.00 0.00 C ATOM 0 H THR A 110 -0.194 2.914 9.959 1.00 0.00 H new ATOM 0 HA THR A 110 2.315 4.363 10.550 1.00 0.00 H new ATOM 0 HB THR A 110 0.925 5.546 12.229 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.335 4.091 11.276 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.684 6.631 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.882 6.363 9.885 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.492 5.286 9.538 1.00 0.00 H new ATOM 552 N ASN A 111 1.280 1.715 12.004 1.00 0.00 N ATOM 553 CA ASN A 111 1.588 0.741 13.053 1.00 0.00 C ATOM 554 C ASN A 111 2.607 -0.301 12.588 1.00 0.00 C ATOM 555 O ASN A 111 3.465 -0.720 13.364 1.00 0.00 O ATOM 556 CB ASN A 111 0.306 0.035 13.502 1.00 0.00 C ATOM 557 CG ASN A 111 0.543 -0.687 14.823 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.289 -0.200 15.672 1.00 0.00 O ATOM 559 ND2 ASN A 111 -0.051 -1.827 15.048 1.00 0.00 N ATOM 0 H ASN A 111 0.665 1.370 11.267 1.00 0.00 H new ATOM 0 HA ASN A 111 2.026 1.289 13.887 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.499 0.762 13.615 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.012 -0.677 12.741 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.102 -2.317 15.929 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.669 -2.228 14.342 1.00 0.00 H new ATOM 566 N LEU A 112 2.500 -0.727 11.332 1.00 0.00 N ATOM 567 CA LEU A 112 3.412 -1.736 10.793 1.00 0.00 C ATOM 568 C LEU A 112 4.343 -1.142 9.740 1.00 0.00 C ATOM 569 O LEU A 112 4.282 0.048 9.434 1.00 0.00 O ATOM 570 CB LEU A 112 2.619 -2.874 10.147 1.00 0.00 C ATOM 571 CG LEU A 112 1.659 -3.501 11.161 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.852 -4.599 10.467 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.451 -4.114 12.321 1.00 0.00 C ATOM 0 H LEU A 112 1.798 -0.393 10.672 1.00 0.00 H new ATOM 0 HA LEU A 112 4.007 -2.111 11.626 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.058 -2.495 9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.304 -3.633 9.768 1.00 0.00 H new ATOM 0 HG LEU A 112 0.991 -2.733 11.551 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.165 -5.052 11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.285 -4.168 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.530 -5.361 10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.761 -4.558 13.038 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.121 -4.884 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.035 -3.337 12.813 1.00 0.00 H new ATOM 585 N GLY A 113 5.189 -2.002 9.178 1.00 0.00 N ATOM 586 CA GLY A 113 6.125 -1.593 8.137 1.00 0.00 C ATOM 587 C GLY A 113 7.154 -0.584 8.635 1.00 0.00 C ATOM 588 O GLY A 113 7.892 -0.845 9.585 1.00 0.00 O ATOM 0 H GLY A 113 5.245 -2.989 9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.641 -2.473 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.570 -1.160 7.305 1.00 0.00 H new ATOM 592 N GLU A 114 7.203 0.564 7.968 1.00 0.00 N ATOM 593 CA GLU A 114 8.155 1.611 8.324 1.00 0.00 C ATOM 594 C GLU A 114 7.487 2.708 9.136 1.00 0.00 C ATOM 595 O GLU A 114 8.053 3.782 9.337 1.00 0.00 O ATOM 596 CB GLU A 114 8.777 2.203 7.060 1.00 0.00 C ATOM 597 CG GLU A 114 9.692 1.164 6.411 1.00 0.00 C ATOM 598 CD GLU A 114 10.160 1.661 5.047 1.00 0.00 C ATOM 599 OE1 GLU A 114 9.591 2.624 4.564 1.00 0.00 O ATOM 600 OE2 GLU A 114 11.081 1.070 4.507 1.00 0.00 O ATOM 0 H GLU A 114 6.597 0.793 7.180 1.00 0.00 H new ATOM 0 HA GLU A 114 8.937 1.163 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.995 2.502 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.344 3.100 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.552 0.973 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.161 0.218 6.300 1.00 0.00 H new ATOM 607 N LYS A 115 6.284 2.423 9.601 1.00 0.00 N ATOM 608 CA LYS A 115 5.535 3.377 10.395 1.00 0.00 C ATOM 609 C LYS A 115 5.514 4.750 9.726 1.00 0.00 C ATOM 610 O LYS A 115 6.494 5.494 9.769 1.00 0.00 O ATOM 611 CB LYS A 115 6.167 3.463 11.772 1.00 0.00 C ATOM 612 CG LYS A 115 5.741 2.253 12.607 1.00 0.00 C ATOM 613 CD LYS A 115 6.381 2.338 13.993 1.00 0.00 C ATOM 614 CE LYS A 115 5.937 1.137 14.833 1.00 0.00 C ATOM 615 NZ LYS A 115 6.566 1.215 16.181 1.00 0.00 N ATOM 0 H LYS A 115 5.805 1.537 9.441 1.00 0.00 H new ATOM 0 HA LYS A 115 4.501 3.043 10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.253 3.493 11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.862 4.385 12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.655 2.225 12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.044 1.331 12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.467 2.352 13.904 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.090 3.267 14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.851 1.126 14.927 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.223 0.208 14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.265 0.400 16.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.601 1.205 16.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.271 2.095 16.651 1.00 0.00 H new ATOM 629 N LEU A 116 4.381 5.074 9.114 1.00 0.00 N ATOM 630 CA LEU A 116 4.220 6.356 8.437 1.00 0.00 C ATOM 631 C LEU A 116 3.608 7.377 9.388 1.00 0.00 C ATOM 632 O LEU A 116 2.943 7.011 10.358 1.00 0.00 O ATOM 633 CB LEU A 116 3.303 6.203 7.214 1.00 0.00 C ATOM 634 CG LEU A 116 4.096 5.718 5.992 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.095 6.788 5.541 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.855 4.439 6.347 1.00 0.00 C ATOM 0 H LEU A 116 3.561 4.468 9.072 1.00 0.00 H new ATOM 0 HA LEU A 116 5.203 6.697 8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.505 5.495 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.828 7.158 6.989 1.00 0.00 H new ATOM 0 HG LEU A 116 3.396 5.521 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.648 6.427 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.558 7.698 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.791 7.001 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.417 4.096 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.543 4.640 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.147 3.667 6.648 1.00 0.00 H new ATOM 648 N THR A 117 3.814 8.659 9.098 1.00 0.00 N ATOM 649 CA THR A 117 3.254 9.717 9.927 1.00 0.00 C ATOM 650 C THR A 117 1.887 10.124 9.387 1.00 0.00 C ATOM 651 O THR A 117 1.496 9.706 8.297 1.00 0.00 O ATOM 652 CB THR A 117 4.187 10.929 9.932 1.00 0.00 C ATOM 653 OG1 THR A 117 4.285 11.455 8.616 1.00 0.00 O ATOM 654 CG2 THR A 117 5.574 10.506 10.420 1.00 0.00 C ATOM 0 H THR A 117 4.360 8.986 8.301 1.00 0.00 H new ATOM 0 HA THR A 117 3.145 9.348 10.947 1.00 0.00 H new ATOM 0 HB THR A 117 3.787 11.693 10.599 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.881 12.233 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.238 11.370 10.423 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.497 10.104 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.976 9.742 9.755 1.00 0.00 H new ATOM 662 N ASP A 118 1.159 10.929 10.150 1.00 0.00 N ATOM 663 CA ASP A 118 -0.165 11.365 9.723 1.00 0.00 C ATOM 664 C ASP A 118 -0.080 12.122 8.401 1.00 0.00 C ATOM 665 O ASP A 118 -0.930 11.955 7.526 1.00 0.00 O ATOM 666 CB ASP A 118 -0.783 12.270 10.790 1.00 0.00 C ATOM 667 CG ASP A 118 -1.171 11.446 12.014 1.00 0.00 C ATOM 668 OD1 ASP A 118 -1.190 10.231 11.905 1.00 0.00 O ATOM 669 OD2 ASP A 118 -1.441 12.043 13.044 1.00 0.00 O ATOM 0 H ASP A 118 1.457 11.290 11.056 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.791 10.483 9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.073 13.047 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.662 12.773 10.387 1.00 0.00 H new ATOM 674 N GLU A 119 0.950 12.951 8.258 1.00 0.00 N ATOM 675 CA GLU A 119 1.129 13.721 7.032 1.00 0.00 C ATOM 676 C GLU A 119 1.332 12.785 5.842 1.00 0.00 C ATOM 677 O GLU A 119 0.752 12.990 4.776 1.00 0.00 O ATOM 678 CB GLU A 119 2.337 14.657 7.177 1.00 0.00 C ATOM 679 CG GLU A 119 2.507 15.503 5.910 1.00 0.00 C ATOM 680 CD GLU A 119 1.292 16.404 5.710 1.00 0.00 C ATOM 681 OE1 GLU A 119 0.588 16.640 6.678 1.00 0.00 O ATOM 682 OE2 GLU A 119 1.083 16.846 4.592 1.00 0.00 O ATOM 0 H GLU A 119 1.666 13.106 8.968 1.00 0.00 H new ATOM 0 HA GLU A 119 0.234 14.317 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.201 15.307 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.239 14.073 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 119 3.409 16.109 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.633 14.853 5.044 1.00 0.00 H new ATOM 689 N GLU A 120 2.146 11.750 6.033 1.00 0.00 N ATOM 690 CA GLU A 120 2.392 10.787 4.966 1.00 0.00 C ATOM 691 C GLU A 120 1.129 9.985 4.676 1.00 0.00 C ATOM 692 O GLU A 120 0.797 9.722 3.522 1.00 0.00 O ATOM 693 CB GLU A 120 3.519 9.833 5.362 1.00 0.00 C ATOM 694 CG GLU A 120 4.862 10.579 5.403 1.00 0.00 C ATOM 695 CD GLU A 120 5.192 11.234 4.061 1.00 0.00 C ATOM 696 OE1 GLU A 120 5.124 10.553 3.056 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.511 12.411 4.065 1.00 0.00 O ATOM 0 H GLU A 120 2.640 11.559 6.905 1.00 0.00 H new ATOM 0 HA GLU A 120 2.683 11.335 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.308 9.396 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.574 9.010 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.830 11.342 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.656 9.882 5.672 1.00 0.00 H new ATOM 704 N VAL A 121 0.432 9.599 5.739 1.00 0.00 N ATOM 705 CA VAL A 121 -0.796 8.825 5.602 1.00 0.00 C ATOM 706 C VAL A 121 -1.883 9.658 4.922 1.00 0.00 C ATOM 707 O VAL A 121 -2.608 9.166 4.060 1.00 0.00 O ATOM 708 CB VAL A 121 -1.282 8.377 6.983 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.645 7.703 6.855 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.283 7.391 7.596 1.00 0.00 C ATOM 0 H VAL A 121 0.695 9.809 6.702 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.588 7.950 4.986 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.366 9.251 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.988 7.385 7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.361 8.407 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.561 6.834 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.637 7.078 8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.189 6.519 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.689 7.874 7.698 1.00 0.00 H new ATOM 720 N ASP A 122 -2.027 10.909 5.329 1.00 0.00 N ATOM 721 CA ASP A 122 -3.059 11.754 4.748 1.00 0.00 C ATOM 722 C ASP A 122 -2.870 11.842 3.238 1.00 0.00 C ATOM 723 O ASP A 122 -3.831 11.748 2.474 1.00 0.00 O ATOM 724 CB ASP A 122 -3.003 13.154 5.363 1.00 0.00 C ATOM 725 CG ASP A 122 -4.132 14.014 4.806 1.00 0.00 C ATOM 726 OD1 ASP A 122 -4.808 13.556 3.900 1.00 0.00 O ATOM 727 OD2 ASP A 122 -4.305 15.120 5.295 1.00 0.00 O ATOM 0 H ASP A 122 -1.455 11.356 6.045 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.034 11.315 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.087 13.087 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.041 13.617 5.146 1.00 0.00 H new ATOM 732 N GLU A 123 -1.623 12.001 2.811 1.00 0.00 N ATOM 733 CA GLU A 123 -1.317 12.073 1.389 1.00 0.00 C ATOM 734 C GLU A 123 -1.717 10.759 0.722 1.00 0.00 C ATOM 735 O GLU A 123 -2.255 10.744 -0.385 1.00 0.00 O ATOM 736 CB GLU A 123 0.182 12.329 1.188 1.00 0.00 C ATOM 737 CG GLU A 123 0.500 12.464 -0.305 1.00 0.00 C ATOM 738 CD GLU A 123 -0.213 13.681 -0.886 1.00 0.00 C ATOM 739 OE1 GLU A 123 -0.590 14.548 -0.114 1.00 0.00 O ATOM 740 OE2 GLU A 123 -0.372 13.728 -2.094 1.00 0.00 O ATOM 0 H GLU A 123 -0.813 12.082 3.425 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.875 12.894 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.477 13.237 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.759 11.510 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.576 12.561 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.188 11.563 -0.834 1.00 0.00 H new ATOM 747 N MET A 124 -1.460 9.661 1.424 1.00 0.00 N ATOM 748 CA MET A 124 -1.800 8.330 0.933 1.00 0.00 C ATOM 749 C MET A 124 -3.317 8.187 0.814 1.00 0.00 C ATOM 750 O MET A 124 -3.823 7.582 -0.131 1.00 0.00 O ATOM 751 CB MET A 124 -1.264 7.287 1.917 1.00 0.00 C ATOM 752 CG MET A 124 0.261 7.287 1.879 1.00 0.00 C ATOM 753 SD MET A 124 0.826 6.173 0.577 1.00 0.00 S ATOM 754 CE MET A 124 0.610 4.633 1.503 1.00 0.00 C ATOM 0 H MET A 124 -1.014 9.667 2.341 1.00 0.00 H new ATOM 0 HA MET A 124 -1.354 8.180 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.613 7.510 2.925 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.645 6.299 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.632 8.296 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.660 6.970 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.586 4.204 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.081 4.839 2.434 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.032 3.928 0.906 1.00 0.00 H new ATOM 764 N ILE A 125 -4.034 8.743 1.790 1.00 0.00 N ATOM 765 CA ILE A 125 -5.493 8.664 1.803 1.00 0.00 C ATOM 766 C ILE A 125 -6.091 9.354 0.578 1.00 0.00 C ATOM 767 O ILE A 125 -7.048 8.858 -0.014 1.00 0.00 O ATOM 768 CB ILE A 125 -6.036 9.289 3.108 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.495 8.197 4.097 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.210 10.239 2.830 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.287 7.693 4.887 1.00 0.00 C ATOM 0 H ILE A 125 -3.630 9.250 2.578 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.788 7.615 1.764 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.218 9.857 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.247 8.598 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.961 7.373 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.567 10.661 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.879 11.044 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.018 9.688 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.606 6.921 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.551 7.277 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.842 8.521 5.438 1.00 0.00 H new ATOM 783 N ARG A 126 -5.527 10.495 0.204 1.00 0.00 N ATOM 784 CA ARG A 126 -6.025 11.231 -0.953 1.00 0.00 C ATOM 785 C ARG A 126 -5.899 10.371 -2.206 1.00 0.00 C ATOM 786 O ARG A 126 -6.699 10.481 -3.134 1.00 0.00 O ATOM 787 CB ARG A 126 -5.237 12.538 -1.131 1.00 0.00 C ATOM 788 CG ARG A 126 -5.906 13.428 -2.192 1.00 0.00 C ATOM 789 CD ARG A 126 -7.061 14.228 -1.570 1.00 0.00 C ATOM 790 NE ARG A 126 -7.687 15.074 -2.580 1.00 0.00 N ATOM 791 CZ ARG A 126 -7.181 16.262 -2.894 1.00 0.00 C ATOM 792 NH1 ARG A 126 -6.104 16.693 -2.295 1.00 0.00 N ATOM 793 NH2 ARG A 126 -7.762 16.998 -3.801 1.00 0.00 N ATOM 0 H ARG A 126 -4.734 10.928 0.678 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.075 11.475 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.184 13.070 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.212 12.315 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.171 14.110 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.281 12.811 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -7.799 13.547 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -6.688 14.842 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 126 -8.529 14.748 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.650 16.118 -1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.716 17.605 -2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -8.604 16.661 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.374 17.910 -4.043 1.00 0.00 H new ATOM 807 N GLU A 127 -4.897 9.502 -2.211 1.00 0.00 N ATOM 808 CA GLU A 127 -4.678 8.608 -3.339 1.00 0.00 C ATOM 809 C GLU A 127 -5.313 7.244 -3.069 1.00 0.00 C ATOM 810 O GLU A 127 -5.257 6.346 -3.910 1.00 0.00 O ATOM 811 CB GLU A 127 -3.180 8.442 -3.596 1.00 0.00 C ATOM 812 CG GLU A 127 -2.561 9.808 -3.896 1.00 0.00 C ATOM 813 CD GLU A 127 -3.111 10.353 -5.209 1.00 0.00 C ATOM 814 OE1 GLU A 127 -3.609 9.562 -5.993 1.00 0.00 O ATOM 815 OE2 GLU A 127 -3.026 11.553 -5.412 1.00 0.00 O ATOM 0 H GLU A 127 -4.226 9.398 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.145 9.044 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.698 7.995 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.017 7.765 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.780 10.502 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.476 9.720 -3.955 1.00 0.00 H new ATOM 822 N ALA A 128 -5.902 7.091 -1.885 1.00 0.00 N ATOM 823 CA ALA A 128 -6.530 5.826 -1.508 1.00 0.00 C ATOM 824 C ALA A 128 -8.006 5.799 -1.913 1.00 0.00 C ATOM 825 O ALA A 128 -8.354 5.194 -2.925 1.00 0.00 O ATOM 826 CB ALA A 128 -6.397 5.619 0.001 1.00 0.00 C ATOM 0 H ALA A 128 -5.958 7.821 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.022 5.018 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.865 4.676 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.342 5.595 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.889 6.438 0.525 1.00 0.00 H new ATOM 832 N ASP A 129 -8.870 6.456 -1.128 1.00 0.00 N ATOM 833 CA ASP A 129 -10.305 6.489 -1.441 1.00 0.00 C ATOM 834 C ASP A 129 -11.135 7.002 -0.259 1.00 0.00 C ATOM 835 O ASP A 129 -11.370 8.204 -0.126 1.00 0.00 O ATOM 836 CB ASP A 129 -10.800 5.085 -1.842 1.00 0.00 C ATOM 837 CG ASP A 129 -10.896 4.943 -3.365 1.00 0.00 C ATOM 838 OD1 ASP A 129 -10.331 5.768 -4.067 1.00 0.00 O ATOM 839 OD2 ASP A 129 -11.539 4.007 -3.807 1.00 0.00 O ATOM 0 H ASP A 129 -8.606 6.965 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.437 7.178 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.120 4.330 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -11.777 4.900 -1.395 1.00 0.00 H new ATOM 844 N ILE A 130 -11.611 6.076 0.565 1.00 0.00 N ATOM 845 CA ILE A 130 -12.457 6.408 1.703 1.00 0.00 C ATOM 846 C ILE A 130 -13.712 7.131 1.234 1.00 0.00 C ATOM 847 O ILE A 130 -14.016 8.233 1.691 1.00 0.00 O ATOM 848 CB ILE A 130 -11.726 7.278 2.722 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.527 6.515 3.286 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.689 7.608 3.864 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.665 7.466 4.117 1.00 0.00 C ATOM 0 H ILE A 130 -11.422 5.079 0.463 1.00 0.00 H new ATOM 0 HA ILE A 130 -12.727 5.470 2.187 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.378 8.193 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.868 5.683 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -9.938 6.089 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.180 8.230 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.551 8.145 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.023 6.684 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.810 6.924 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.313 8.283 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.257 7.871 4.938 1.00 0.00 H new ATOM 894 N GLY A 134 -15.222 3.349 3.819 1.00 0.00 N ATOM 895 CA GLY A 134 -14.152 2.748 4.606 1.00 0.00 C ATOM 896 C GLY A 134 -13.413 1.653 3.837 1.00 0.00 C ATOM 897 O GLY A 134 -12.802 0.775 4.447 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.444 3.521 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.569 2.328 5.522 1.00 0.00 H new ATOM 901 N GLN A 135 -13.461 1.709 2.504 1.00 0.00 N ATOM 902 CA GLN A 135 -12.774 0.708 1.681 1.00 0.00 C ATOM 903 C GLN A 135 -11.834 1.375 0.689 1.00 0.00 C ATOM 904 O GLN A 135 -12.069 2.499 0.245 1.00 0.00 O ATOM 905 CB GLN A 135 -13.778 -0.161 0.924 1.00 0.00 C ATOM 906 CG GLN A 135 -14.702 0.731 0.101 1.00 0.00 C ATOM 907 CD GLN A 135 -15.741 -0.116 -0.624 1.00 0.00 C ATOM 908 OE1 GLN A 135 -16.467 -0.884 0.006 1.00 0.00 O ATOM 909 NE2 GLN A 135 -15.859 -0.017 -1.920 1.00 0.00 N ATOM 0 H GLN A 135 -13.960 2.425 1.977 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.193 0.075 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.253 -0.859 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.361 -0.758 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.199 1.451 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.119 1.303 -0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -15.256 0.621 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -16.554 -0.577 -2.413 1.00 0.00 H new ATOM 918 N VAL A 136 -10.758 0.670 0.363 1.00 0.00 N ATOM 919 CA VAL A 136 -9.756 1.182 -0.559 1.00 0.00 C ATOM 920 C VAL A 136 -9.380 0.158 -1.617 1.00 0.00 C ATOM 921 O VAL A 136 -9.135 -1.009 -1.312 1.00 0.00 O ATOM 922 CB VAL A 136 -8.514 1.584 0.228 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.328 1.751 -0.727 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.793 2.908 0.935 1.00 0.00 C ATOM 0 H VAL A 136 -10.558 -0.262 0.726 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.179 2.045 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.272 0.813 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.442 2.038 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.140 0.809 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.557 2.525 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.913 3.210 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.027 3.673 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.638 2.788 1.612 1.00 0.00 H new ATOM 934 N ASN A 137 -9.314 0.614 -2.861 1.00 0.00 N ATOM 935 CA ASN A 137 -8.938 -0.260 -3.959 1.00 0.00 C ATOM 936 C ASN A 137 -7.422 -0.202 -4.163 1.00 0.00 C ATOM 937 O ASN A 137 -6.884 0.827 -4.569 1.00 0.00 O ATOM 938 CB ASN A 137 -9.652 0.172 -5.242 1.00 0.00 C ATOM 939 CG ASN A 137 -9.551 1.685 -5.420 1.00 0.00 C ATOM 940 OD1 ASN A 137 -10.637 2.407 -5.388 1.00 0.00 O flip ATOM 941 ND2 ASN A 137 -8.457 2.223 -5.589 1.00 0.00 N flip ATOM 0 H ASN A 137 -9.515 1.577 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.232 -1.282 -3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.209 -0.333 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -10.699 -0.127 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.609 1.657 -5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.399 3.235 -5.704 1.00 0.00 H new ATOM 948 N TYR A 138 -6.730 -1.294 -3.857 1.00 0.00 N ATOM 949 CA TYR A 138 -5.275 -1.315 -3.995 1.00 0.00 C ATOM 950 C TYR A 138 -4.846 -1.128 -5.448 1.00 0.00 C ATOM 951 O TYR A 138 -3.658 -0.972 -5.733 1.00 0.00 O ATOM 952 CB TYR A 138 -4.696 -2.624 -3.450 1.00 0.00 C ATOM 953 CG TYR A 138 -5.318 -3.813 -4.146 1.00 0.00 C ATOM 954 CD1 TYR A 138 -4.833 -4.235 -5.388 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.366 -4.508 -3.534 1.00 0.00 C ATOM 956 CE1 TYR A 138 -5.396 -5.351 -6.018 1.00 0.00 C ATOM 957 CE2 TYR A 138 -6.932 -5.621 -4.160 1.00 0.00 C ATOM 958 CZ TYR A 138 -6.447 -6.046 -5.403 1.00 0.00 C ATOM 959 OH TYR A 138 -7.001 -7.147 -6.021 1.00 0.00 O ATOM 0 H TYR A 138 -7.142 -2.163 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.884 -0.481 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.615 -2.637 -3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.877 -2.689 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.023 -3.699 -5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.739 -4.183 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.021 -5.676 -6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.743 -6.153 -3.686 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.333 -7.771 -5.342 1.00 0.00 H new ATOM 969 N GLU A 139 -5.804 -1.157 -6.365 1.00 0.00 N ATOM 970 CA GLU A 139 -5.472 -1.000 -7.777 1.00 0.00 C ATOM 971 C GLU A 139 -4.791 0.345 -8.033 1.00 0.00 C ATOM 972 O GLU A 139 -3.747 0.399 -8.679 1.00 0.00 O ATOM 973 CB GLU A 139 -6.741 -1.100 -8.628 1.00 0.00 C ATOM 974 CG GLU A 139 -7.271 -2.534 -8.594 1.00 0.00 C ATOM 975 CD GLU A 139 -6.332 -3.458 -9.362 1.00 0.00 C ATOM 976 OE1 GLU A 139 -5.507 -2.948 -10.103 1.00 0.00 O ATOM 977 OE2 GLU A 139 -6.453 -4.661 -9.202 1.00 0.00 O ATOM 0 H GLU A 139 -6.796 -1.285 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.782 -1.798 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.499 -0.413 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.526 -0.805 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.362 -2.872 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.269 -2.572 -9.031 1.00 0.00 H new ATOM 984 N GLU A 140 -5.383 1.430 -7.540 1.00 0.00 N ATOM 985 CA GLU A 140 -4.814 2.763 -7.752 1.00 0.00 C ATOM 986 C GLU A 140 -3.420 2.876 -7.143 1.00 0.00 C ATOM 987 O GLU A 140 -2.523 3.479 -7.733 1.00 0.00 O ATOM 988 CB GLU A 140 -5.727 3.823 -7.132 1.00 0.00 C ATOM 989 CG GLU A 140 -7.037 3.899 -7.918 1.00 0.00 C ATOM 990 CD GLU A 140 -6.785 4.504 -9.295 1.00 0.00 C ATOM 991 OE1 GLU A 140 -5.734 5.097 -9.476 1.00 0.00 O ATOM 992 OE2 GLU A 140 -7.648 4.368 -10.147 1.00 0.00 O ATOM 0 H GLU A 140 -6.246 1.416 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.733 2.925 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.931 3.577 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.231 4.793 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -7.466 2.903 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -7.763 4.503 -7.374 1.00 0.00 H new ATOM 999 N PHE A 141 -3.239 2.282 -5.973 1.00 0.00 N ATOM 1000 CA PHE A 141 -1.937 2.318 -5.319 1.00 0.00 C ATOM 1001 C PHE A 141 -0.901 1.603 -6.172 1.00 0.00 C ATOM 1002 O PHE A 141 0.213 2.089 -6.345 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.011 1.669 -3.936 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.265 2.730 -2.893 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.278 3.687 -2.629 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.471 2.754 -2.180 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.496 4.667 -1.658 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.685 3.734 -1.206 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.699 4.691 -0.945 1.00 0.00 C ATOM 0 H PHE A 141 -3.963 1.777 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.642 3.360 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.807 0.925 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.080 1.146 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.347 3.668 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.234 2.017 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.735 5.407 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.613 3.752 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.866 5.448 -0.193 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.282 0.460 -6.721 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.379 -0.297 -7.573 1.00 0.00 C ATOM 1021 C VAL A 142 -0.040 0.493 -8.830 1.00 0.00 C ATOM 1022 O VAL A 142 1.102 0.478 -9.290 1.00 0.00 O ATOM 1023 CB VAL A 142 -0.991 -1.648 -7.930 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.152 -2.318 -9.020 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -0.984 -2.530 -6.681 1.00 0.00 C ATOM 0 H VAL A 142 -2.202 0.039 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 142 0.546 -0.475 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.010 -1.510 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.590 -3.283 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.133 -1.683 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.865 -2.465 -8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.419 -3.501 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.041 -2.666 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.570 -2.053 -5.895 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.030 1.189 -9.385 1.00 0.00 N ATOM 1036 CA GLN A 143 -0.789 1.977 -10.586 1.00 0.00 C ATOM 1037 C GLN A 143 0.281 3.026 -10.303 1.00 0.00 C ATOM 1038 O GLN A 143 1.187 3.227 -11.112 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.080 2.662 -11.049 1.00 0.00 C ATOM 1040 CG GLN A 143 -3.052 1.625 -11.627 1.00 0.00 C ATOM 1041 CD GLN A 143 -2.477 1.009 -12.899 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -2.228 -0.196 -12.947 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -2.250 1.767 -13.935 1.00 0.00 N ATOM 0 H GLN A 143 -1.986 1.223 -9.030 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.446 1.312 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -2.546 3.180 -10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.850 3.416 -11.802 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.241 0.844 -10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.010 2.097 -11.845 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.457 2.765 -13.892 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.865 1.362 -14.788 1.00 0.00 H new ATOM 1052 N MET A 144 0.195 3.681 -9.145 1.00 0.00 N ATOM 1053 CA MET A 144 1.199 4.678 -8.796 1.00 0.00 C ATOM 1054 C MET A 144 2.565 4.006 -8.717 1.00 0.00 C ATOM 1055 O MET A 144 3.565 4.542 -9.192 1.00 0.00 O ATOM 1056 CB MET A 144 0.885 5.339 -7.442 1.00 0.00 C ATOM 1057 CG MET A 144 -0.342 6.252 -7.560 1.00 0.00 C ATOM 1058 SD MET A 144 -0.437 7.351 -6.114 1.00 0.00 S ATOM 1059 CE MET A 144 -0.927 6.142 -4.856 1.00 0.00 C ATOM 0 H MET A 144 -0.540 3.543 -8.451 1.00 0.00 H new ATOM 0 HA MET A 144 1.196 5.451 -9.565 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.703 4.571 -6.690 1.00 0.00 H new ATOM 0 HB3 MET A 144 1.745 5.918 -7.105 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.280 6.843 -8.474 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.248 5.651 -7.631 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.034 6.642 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.878 5.689 -5.137 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.164 5.367 -4.780 1.00 0.00 H new ATOM 1069 N MET A 145 2.590 2.827 -8.106 1.00 0.00 N ATOM 1070 CA MET A 145 3.823 2.065 -7.950 1.00 0.00 C ATOM 1071 C MET A 145 4.261 1.436 -9.270 1.00 0.00 C ATOM 1072 O MET A 145 5.427 1.077 -9.434 1.00 0.00 O ATOM 1073 CB MET A 145 3.604 0.964 -6.911 1.00 0.00 C ATOM 1074 CG MET A 145 3.252 1.603 -5.569 1.00 0.00 C ATOM 1075 SD MET A 145 2.776 0.313 -4.396 1.00 0.00 S ATOM 1076 CE MET A 145 2.000 1.398 -3.176 1.00 0.00 C ATOM 0 H MET A 145 1.766 2.376 -7.709 1.00 0.00 H new ATOM 0 HA MET A 145 4.608 2.746 -7.623 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.802 0.299 -7.232 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.503 0.356 -6.813 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.105 2.162 -5.185 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.436 2.314 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.107 0.917 -2.777 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.701 1.592 -2.364 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.724 2.340 -3.650 1.00 0.00 H new ATOM 1214 N ASP B 35 0.431 -11.100 14.241 1.00 0.00 N ATOM 1215 CA ASP B 35 1.305 -12.164 14.720 1.00 0.00 C ATOM 1216 C ASP B 35 2.089 -12.774 13.564 1.00 0.00 C ATOM 1217 O ASP B 35 3.271 -13.090 13.701 1.00 0.00 O ATOM 1218 CB ASP B 35 0.477 -13.252 15.405 1.00 0.00 C ATOM 1219 CG ASP B 35 -0.052 -12.742 16.742 1.00 0.00 C ATOM 1220 OD1 ASP B 35 0.423 -11.712 17.190 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -0.924 -13.390 17.297 1.00 0.00 O ATOM 0 HA ASP B 35 2.007 -11.736 15.436 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.354 -13.546 14.764 1.00 0.00 H new ATOM 0 HB3 ASP B 35 1.088 -14.141 15.562 1.00 0.00 H new ATOM 1226 N ALA B 36 1.422 -12.940 12.426 1.00 0.00 N ATOM 1227 CA ALA B 36 2.068 -13.517 11.256 1.00 0.00 C ATOM 1228 C ALA B 36 3.153 -12.567 10.724 1.00 0.00 C ATOM 1229 O ALA B 36 2.896 -11.375 10.563 1.00 0.00 O ATOM 1230 CB ALA B 36 1.027 -13.766 10.163 1.00 0.00 C ATOM 0 H ALA B 36 0.444 -12.685 12.291 1.00 0.00 H new ATOM 0 HA ALA B 36 2.532 -14.461 11.541 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.514 -14.198 9.289 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.268 -14.455 10.533 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.556 -12.822 9.887 1.00 0.00 H new ATOM 1236 N PRO B 37 4.353 -13.046 10.453 1.00 0.00 N ATOM 1237 CA PRO B 37 5.453 -12.178 9.939 1.00 0.00 C ATOM 1238 C PRO B 37 5.222 -11.725 8.499 1.00 0.00 C ATOM 1239 O PRO B 37 5.795 -10.732 8.052 1.00 0.00 O ATOM 1240 CB PRO B 37 6.695 -13.053 10.046 1.00 0.00 C ATOM 1241 CG PRO B 37 6.186 -14.440 9.946 1.00 0.00 C ATOM 1242 CD PRO B 37 4.802 -14.441 10.591 1.00 0.00 C ATOM 0 HA PRO B 37 5.531 -11.252 10.508 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.405 -12.833 9.248 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.215 -12.889 10.990 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.129 -14.758 8.905 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.852 -15.136 10.456 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.126 -15.131 10.087 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.847 -14.746 11.637 1.00 0.00 H new ATOM 1250 N GLU B 38 4.388 -12.467 7.778 1.00 0.00 N ATOM 1251 CA GLU B 38 4.096 -12.141 6.387 1.00 0.00 C ATOM 1252 C GLU B 38 3.422 -10.777 6.277 1.00 0.00 C ATOM 1253 O GLU B 38 3.719 -10.001 5.368 1.00 0.00 O ATOM 1254 CB GLU B 38 3.185 -13.210 5.782 1.00 0.00 C ATOM 1255 CG GLU B 38 3.969 -14.513 5.614 1.00 0.00 C ATOM 1256 CD GLU B 38 3.029 -15.637 5.192 1.00 0.00 C ATOM 1257 OE1 GLU B 38 1.828 -15.440 5.272 1.00 0.00 O ATOM 1258 OE2 GLU B 38 3.525 -16.679 4.796 1.00 0.00 O ATOM 0 H GLU B 38 3.905 -13.293 8.131 1.00 0.00 H new ATOM 0 HA GLU B 38 5.038 -12.109 5.840 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.321 -13.374 6.426 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.805 -12.875 4.817 1.00 0.00 H new ATOM 0 HG2 GLU B 38 4.751 -14.382 4.866 1.00 0.00 H new ATOM 0 HG3 GLU B 38 4.463 -14.773 6.550 1.00 0.00 H new ATOM 1265 N THR B 39 2.513 -10.490 7.201 1.00 0.00 N ATOM 1266 CA THR B 39 1.805 -9.215 7.185 1.00 0.00 C ATOM 1267 C THR B 39 2.781 -8.059 7.366 1.00 0.00 C ATOM 1268 O THR B 39 2.710 -7.058 6.653 1.00 0.00 O ATOM 1269 CB THR B 39 0.751 -9.182 8.293 1.00 0.00 C ATOM 1270 OG1 THR B 39 -0.187 -10.227 8.082 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.025 -7.834 8.271 1.00 0.00 C ATOM 0 H THR B 39 2.250 -11.115 7.963 1.00 0.00 H new ATOM 0 HA THR B 39 1.311 -9.109 6.219 1.00 0.00 H new ATOM 0 HB THR B 39 1.236 -9.316 9.260 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.862 -10.209 8.792 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.726 -7.812 9.061 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.744 -7.031 8.431 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.461 -7.698 7.305 1.00 0.00 H new ATOM 1279 N GLU B 40 3.694 -8.203 8.320 1.00 0.00 N ATOM 1280 CA GLU B 40 4.678 -7.161 8.575 1.00 0.00 C ATOM 1281 C GLU B 40 5.550 -6.948 7.341 1.00 0.00 C ATOM 1282 O GLU B 40 5.835 -5.813 6.959 1.00 0.00 O ATOM 1283 CB GLU B 40 5.554 -7.550 9.769 1.00 0.00 C ATOM 1284 CG GLU B 40 6.547 -6.425 10.071 1.00 0.00 C ATOM 1285 CD GLU B 40 7.370 -6.774 11.306 1.00 0.00 C ATOM 1286 OE1 GLU B 40 7.148 -7.840 11.859 1.00 0.00 O ATOM 1287 OE2 GLU B 40 8.208 -5.972 11.681 1.00 0.00 O ATOM 0 H GLU B 40 3.772 -9.022 8.923 1.00 0.00 H new ATOM 0 HA GLU B 40 4.155 -6.232 8.803 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.930 -7.741 10.642 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.091 -8.473 9.552 1.00 0.00 H new ATOM 0 HG2 GLU B 40 7.206 -6.271 9.216 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.011 -5.490 10.233 1.00 0.00 H new ATOM 1294 N ARG B 41 5.971 -8.048 6.725 1.00 0.00 N ATOM 1295 CA ARG B 41 6.813 -7.973 5.537 1.00 0.00 C ATOM 1296 C ARG B 41 6.068 -7.292 4.391 1.00 0.00 C ATOM 1297 O ARG B 41 6.645 -6.493 3.652 1.00 0.00 O ATOM 1298 CB ARG B 41 7.230 -9.385 5.106 1.00 0.00 C ATOM 1299 CG ARG B 41 8.225 -9.972 6.116 1.00 0.00 C ATOM 1300 CD ARG B 41 9.654 -9.548 5.758 1.00 0.00 C ATOM 1301 NE ARG B 41 10.057 -10.160 4.496 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.205 -9.835 3.910 1.00 0.00 C ATOM 1303 NH1 ARG B 41 11.993 -8.955 4.463 1.00 0.00 N ATOM 1304 NH2 ARG B 41 11.543 -10.398 2.783 1.00 0.00 N ATOM 0 H ARG B 41 5.745 -8.996 7.026 1.00 0.00 H new ATOM 0 HA ARG B 41 7.699 -7.386 5.779 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.351 -10.026 5.034 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.682 -9.352 4.115 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.978 -9.631 7.121 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.151 -11.059 6.121 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.711 -8.462 5.679 1.00 0.00 H new ATOM 0 HD3 ARG B 41 10.340 -9.846 6.551 1.00 0.00 H new ATOM 0 HE ARG B 41 9.447 -10.849 4.056 1.00 0.00 H new ATOM 0 HH11 ARG B 41 11.728 -8.516 5.345 1.00 0.00 H new ATOM 0 HH12 ARG B 41 12.874 -8.706 4.013 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.927 -11.087 2.352 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.424 -10.149 2.333 1.00 0.00 H new ATOM 1318 N ALA B 42 4.786 -7.614 4.247 1.00 0.00 N ATOM 1319 CA ALA B 42 3.976 -7.025 3.185 1.00 0.00 C ATOM 1320 C ALA B 42 3.887 -5.512 3.355 1.00 0.00 C ATOM 1321 O ALA B 42 3.958 -4.761 2.382 1.00 0.00 O ATOM 1322 CB ALA B 42 2.570 -7.627 3.206 1.00 0.00 C ATOM 0 H ALA B 42 4.289 -8.273 4.846 1.00 0.00 H new ATOM 0 HA ALA B 42 4.450 -7.244 2.228 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.972 -7.182 2.411 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.633 -8.704 3.053 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.102 -7.424 4.169 1.00 0.00 H new ATOM 1328 N ALA B 43 3.731 -5.074 4.600 1.00 0.00 N ATOM 1329 CA ALA B 43 3.633 -3.650 4.895 1.00 0.00 C ATOM 1330 C ALA B 43 4.912 -2.926 4.485 1.00 0.00 C ATOM 1331 O ALA B 43 4.867 -1.808 3.972 1.00 0.00 O ATOM 1332 CB ALA B 43 3.388 -3.445 6.391 1.00 0.00 C ATOM 0 H ALA B 43 3.670 -5.682 5.417 1.00 0.00 H new ATOM 0 HA ALA B 43 2.799 -3.238 4.328 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.316 -2.379 6.605 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.459 -3.937 6.678 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.215 -3.873 6.957 1.00 0.00 H new ATOM 1338 N VAL B 44 6.051 -3.568 4.725 1.00 0.00 N ATOM 1339 CA VAL B 44 7.341 -2.973 4.388 1.00 0.00 C ATOM 1340 C VAL B 44 7.463 -2.716 2.889 1.00 0.00 C ATOM 1341 O VAL B 44 7.917 -1.650 2.473 1.00 0.00 O ATOM 1342 CB VAL B 44 8.477 -3.898 4.833 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.801 -3.385 4.264 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.556 -3.913 6.361 1.00 0.00 C ATOM 0 H VAL B 44 6.108 -4.494 5.149 1.00 0.00 H new ATOM 0 HA VAL B 44 7.411 -2.019 4.910 1.00 0.00 H new ATOM 0 HB VAL B 44 8.287 -4.907 4.468 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.612 -4.042 4.579 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.748 -3.371 3.175 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.988 -2.376 4.631 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.365 -4.572 6.677 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.747 -2.904 6.725 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.613 -4.274 6.771 1.00 0.00 H new ATOM 1354 N ALA B 45 7.070 -3.694 2.079 1.00 0.00 N ATOM 1355 CA ALA B 45 7.165 -3.543 0.630 1.00 0.00 C ATOM 1356 C ALA B 45 6.321 -2.371 0.146 1.00 0.00 C ATOM 1357 O ALA B 45 6.785 -1.547 -0.642 1.00 0.00 O ATOM 1358 CB ALA B 45 6.696 -4.826 -0.056 1.00 0.00 C ATOM 0 H ALA B 45 6.689 -4.586 2.394 1.00 0.00 H new ATOM 0 HA ALA B 45 8.207 -3.348 0.376 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.769 -4.708 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.324 -5.659 0.261 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.660 -5.027 0.218 1.00 0.00 H new ATOM 1364 N ILE B 46 5.083 -2.295 0.620 1.00 0.00 N ATOM 1365 CA ILE B 46 4.197 -1.210 0.222 1.00 0.00 C ATOM 1366 C ILE B 46 4.689 0.130 0.763 1.00 0.00 C ATOM 1367 O ILE B 46 4.757 1.117 0.032 1.00 0.00 O ATOM 1368 CB ILE B 46 2.780 -1.484 0.720 1.00 0.00 C ATOM 1369 CG1 ILE B 46 2.205 -2.678 -0.046 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.904 -0.252 0.483 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.916 -3.141 0.628 1.00 0.00 C ATOM 0 H ILE B 46 4.674 -2.964 1.273 1.00 0.00 H new ATOM 0 HA ILE B 46 4.194 -1.157 -0.867 1.00 0.00 H new ATOM 0 HB ILE B 46 2.802 -1.706 1.787 1.00 0.00 H new ATOM 0 HG12 ILE B 46 2.007 -2.399 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.929 -3.492 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.893 -0.450 0.839 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.319 0.599 1.023 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.875 -0.026 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.506 -3.991 0.083 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.129 -3.437 1.655 1.00 0.00 H new ATOM 0 HD13 ILE B 46 0.192 -2.326 0.627 1.00 0.00 H new ATOM 1383 N GLN B 47 5.026 0.157 2.049 1.00 0.00 N ATOM 1384 CA GLN B 47 5.504 1.385 2.674 1.00 0.00 C ATOM 1385 C GLN B 47 6.842 1.814 2.082 1.00 0.00 C ATOM 1386 O GLN B 47 7.069 2.998 1.833 1.00 0.00 O ATOM 1387 CB GLN B 47 5.638 1.185 4.184 1.00 0.00 C ATOM 1388 CG GLN B 47 4.240 1.073 4.801 1.00 0.00 C ATOM 1389 CD GLN B 47 4.342 0.909 6.312 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.163 1.564 6.956 1.00 0.00 O ATOM 1391 NE2 GLN B 47 3.548 0.072 6.924 1.00 0.00 N ATOM 0 H GLN B 47 4.978 -0.649 2.673 1.00 0.00 H new ATOM 0 HA GLN B 47 4.777 2.174 2.479 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.215 0.284 4.394 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.179 2.021 4.627 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.658 1.963 4.563 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.712 0.222 4.371 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.869 -0.470 6.390 1.00 0.00 H new ATOM 0 HE22 GLN B 47 3.607 -0.040 7.936 1.00 0.00 H new ATOM 1400 N SER B 48 7.723 0.847 1.850 1.00 0.00 N ATOM 1401 CA SER B 48 9.028 1.144 1.277 1.00 0.00 C ATOM 1402 C SER B 48 8.864 1.740 -0.115 1.00 0.00 C ATOM 1403 O SER B 48 9.521 2.719 -0.469 1.00 0.00 O ATOM 1404 CB SER B 48 9.868 -0.131 1.194 1.00 0.00 C ATOM 1405 OG SER B 48 11.134 0.176 0.625 1.00 0.00 O ATOM 0 H SER B 48 7.559 -0.140 2.048 1.00 0.00 H new ATOM 0 HA SER B 48 9.535 1.865 1.918 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.998 -0.560 2.188 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.356 -0.879 0.588 1.00 0.00 H new ATOM 0 HG SER B 48 11.675 -0.639 0.572 1.00 0.00 H new ATOM 1411 N GLN B 49 7.978 1.135 -0.898 1.00 0.00 N ATOM 1412 CA GLN B 49 7.716 1.598 -2.254 1.00 0.00 C ATOM 1413 C GLN B 49 7.133 3.009 -2.234 1.00 0.00 C ATOM 1414 O GLN B 49 7.443 3.833 -3.093 1.00 0.00 O ATOM 1415 CB GLN B 49 6.735 0.651 -2.950 1.00 0.00 C ATOM 1416 CG GLN B 49 6.619 1.015 -4.434 1.00 0.00 C ATOM 1417 CD GLN B 49 7.953 0.790 -5.141 1.00 0.00 C ATOM 1418 OE1 GLN B 49 8.507 -0.308 -5.087 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.504 1.769 -5.805 1.00 0.00 N ATOM 0 H GLN B 49 7.429 0.323 -0.616 1.00 0.00 H new ATOM 0 HA GLN B 49 8.659 1.612 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN B 49 7.075 -0.379 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.756 0.714 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.844 0.410 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.316 2.057 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN B 49 8.044 2.678 -5.849 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.395 1.625 -6.280 1.00 0.00 H new ATOM 1428 N PHE B 50 6.272 3.272 -1.255 1.00 0.00 N ATOM 1429 CA PHE B 50 5.633 4.577 -1.138 1.00 0.00 C ATOM 1430 C PHE B 50 6.664 5.689 -0.993 1.00 0.00 C ATOM 1431 O PHE B 50 6.584 6.709 -1.678 1.00 0.00 O ATOM 1432 CB PHE B 50 4.680 4.595 0.061 1.00 0.00 C ATOM 1433 CG PHE B 50 4.164 6.001 0.267 1.00 0.00 C ATOM 1434 CD1 PHE B 50 3.407 6.620 -0.736 1.00 0.00 C ATOM 1435 CD2 PHE B 50 4.440 6.687 1.459 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.928 7.922 -0.549 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.960 7.989 1.643 1.00 0.00 C ATOM 1438 CZ PHE B 50 3.206 8.606 0.639 1.00 0.00 C ATOM 0 H PHE B 50 6.002 2.602 -0.535 1.00 0.00 H new ATOM 0 HA PHE B 50 5.068 4.753 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.848 3.911 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE B 50 5.197 4.250 0.956 1.00 0.00 H new ATOM 0 HD1 PHE B 50 3.193 6.093 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE B 50 5.022 6.211 2.234 1.00 0.00 H new ATOM 0 HE1 PHE B 50 2.344 8.398 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE B 50 4.172 8.518 2.561 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.838 9.611 0.781 1.00 0.00 H new ATOM 1448 N ARG B 51 7.627 5.501 -0.099 1.00 0.00 N ATOM 1449 CA ARG B 51 8.649 6.517 0.106 1.00 0.00 C ATOM 1450 C ARG B 51 9.437 6.742 -1.180 1.00 0.00 C ATOM 1451 O ARG B 51 9.741 7.878 -1.541 1.00 0.00 O ATOM 1452 CB ARG B 51 9.598 6.082 1.221 1.00 0.00 C ATOM 1453 CG ARG B 51 8.862 6.118 2.561 1.00 0.00 C ATOM 1454 CD ARG B 51 9.792 5.602 3.658 1.00 0.00 C ATOM 1455 NE ARG B 51 10.946 6.482 3.780 1.00 0.00 N ATOM 1456 CZ ARG B 51 11.965 6.180 4.578 1.00 0.00 C ATOM 1457 NH1 ARG B 51 11.945 5.075 5.272 1.00 0.00 N ATOM 1458 NH2 ARG B 51 12.987 6.988 4.666 1.00 0.00 N ATOM 0 H ARG B 51 7.721 4.670 0.485 1.00 0.00 H new ATOM 0 HA ARG B 51 8.162 7.450 0.390 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.969 5.076 1.025 1.00 0.00 H new ATOM 0 HB3 ARG B 51 10.465 6.741 1.253 1.00 0.00 H new ATOM 0 HG2 ARG B 51 8.543 7.135 2.787 1.00 0.00 H new ATOM 0 HG3 ARG B 51 7.962 5.505 2.512 1.00 0.00 H new ATOM 0 HD2 ARG B 51 9.258 5.553 4.607 1.00 0.00 H new ATOM 0 HD3 ARG B 51 10.119 4.589 3.424 1.00 0.00 H new ATOM 0 HE ARG B 51 10.973 7.348 3.242 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.147 4.443 5.202 1.00 0.00 H new ATOM 0 HH12 ARG B 51 12.727 4.843 5.884 1.00 0.00 H new ATOM 0 HH21 ARG B 51 13.003 7.851 4.122 1.00 0.00 H new ATOM 0 HH22 ARG B 51 13.769 6.756 5.278 1.00 0.00 H new ATOM 1472 N LYS B 52 9.748 5.655 -1.878 1.00 0.00 N ATOM 1473 CA LYS B 52 10.483 5.754 -3.133 1.00 0.00 C ATOM 1474 C LYS B 52 9.666 6.550 -4.144 1.00 0.00 C ATOM 1475 O LYS B 52 10.198 7.384 -4.877 1.00 0.00 O ATOM 1476 CB LYS B 52 10.772 4.353 -3.686 1.00 0.00 C ATOM 1477 CG LYS B 52 11.573 4.464 -4.987 1.00 0.00 C ATOM 1478 CD LYS B 52 11.901 3.063 -5.506 1.00 0.00 C ATOM 1479 CE LYS B 52 12.636 3.174 -6.843 1.00 0.00 C ATOM 1480 NZ LYS B 52 13.926 3.892 -6.642 1.00 0.00 N ATOM 0 H LYS B 52 9.505 4.704 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 52 11.429 6.264 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS B 52 11.330 3.771 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.837 3.824 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS B 52 11.000 5.015 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS B 52 12.492 5.024 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS B 52 12.518 2.531 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS B 52 10.985 2.485 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS B 52 12.820 2.181 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS B 52 12.019 3.708 -7.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 14.542 3.736 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 13.743 4.910 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 14.394 3.532 -5.786 1.00 0.00 H new ATOM 1494 N PHE B 53 8.366 6.279 -4.169 1.00 0.00 N ATOM 1495 CA PHE B 53 7.458 6.960 -5.082 1.00 0.00 C ATOM 1496 C PHE B 53 7.483 8.467 -4.840 1.00 0.00 C ATOM 1497 O PHE B 53 7.553 9.254 -5.784 1.00 0.00 O ATOM 1498 CB PHE B 53 6.036 6.428 -4.887 1.00 0.00 C ATOM 1499 CG PHE B 53 5.089 7.140 -5.825 1.00 0.00 C ATOM 1500 CD1 PHE B 53 5.022 6.761 -7.171 1.00 0.00 C ATOM 1501 CD2 PHE B 53 4.275 8.172 -5.346 1.00 0.00 C ATOM 1502 CE1 PHE B 53 4.142 7.417 -8.038 1.00 0.00 C ATOM 1503 CE2 PHE B 53 3.393 8.828 -6.214 1.00 0.00 C ATOM 1504 CZ PHE B 53 3.327 8.450 -7.560 1.00 0.00 C ATOM 0 H PHE B 53 7.917 5.590 -3.565 1.00 0.00 H new ATOM 0 HA PHE B 53 7.782 6.767 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE B 53 6.011 5.355 -5.076 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.720 6.578 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE B 53 5.649 5.963 -7.540 1.00 0.00 H new ATOM 0 HD2 PHE B 53 4.327 8.463 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE B 53 4.091 7.126 -9.077 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.764 9.625 -5.845 1.00 0.00 H new ATOM 0 HZ PHE B 53 2.647 8.955 -8.230 1.00 0.00 H new ATOM 1514 N GLN B 54 7.417 8.862 -3.572 1.00 0.00 N ATOM 1515 CA GLN B 54 7.420 10.279 -3.223 1.00 0.00 C ATOM 1516 C GLN B 54 8.712 10.948 -3.687 1.00 0.00 C ATOM 1517 O GLN B 54 8.694 12.082 -4.164 1.00 0.00 O ATOM 1518 CB GLN B 54 7.274 10.453 -1.710 1.00 0.00 C ATOM 1519 CG GLN B 54 5.866 10.038 -1.282 1.00 0.00 C ATOM 1520 CD GLN B 54 5.688 10.260 0.215 1.00 0.00 C ATOM 1521 OE1 GLN B 54 6.420 9.687 1.022 1.00 0.00 O ATOM 1522 NE2 GLN B 54 4.754 11.070 0.635 1.00 0.00 N ATOM 0 H GLN B 54 7.361 8.227 -2.775 1.00 0.00 H new ATOM 0 HA GLN B 54 6.576 10.752 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.017 9.848 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN B 54 7.459 11.491 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.124 10.616 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.698 8.989 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN B 54 4.149 11.543 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN B 54 4.629 11.230 1.635 1.00 0.00 H new ATOM 1531 N LYS B 55 9.830 10.244 -3.546 1.00 0.00 N ATOM 1532 CA LYS B 55 11.117 10.794 -3.961 1.00 0.00 C ATOM 1533 C LYS B 55 11.109 11.092 -5.455 1.00 0.00 C ATOM 1534 O LYS B 55 11.646 12.106 -5.898 1.00 0.00 O ATOM 1535 CB LYS B 55 12.241 9.806 -3.643 1.00 0.00 C ATOM 1536 CG LYS B 55 12.444 9.728 -2.128 1.00 0.00 C ATOM 1537 CD LYS B 55 13.567 8.735 -1.817 1.00 0.00 C ATOM 1538 CE LYS B 55 13.781 8.662 -0.304 1.00 0.00 C ATOM 1539 NZ LYS B 55 14.871 7.690 -0.004 1.00 0.00 N ATOM 0 H LYS B 55 9.873 9.304 -3.153 1.00 0.00 H new ATOM 0 HA LYS B 55 11.288 11.721 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.995 8.820 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.165 10.122 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.694 10.712 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.520 9.414 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS B 55 13.313 7.749 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.488 9.045 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.039 9.647 0.086 1.00 0.00 H new ATOM 0 HE3 LYS B 55 12.859 8.355 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 15.018 7.639 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.607 6.750 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.750 8.001 -0.464 1.00 0.00 H new