USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 477 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 Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0202) USER MOD Single : A 97 ASN : amide:sc= -0.634! C(o=-0.63!,f=-2.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -92:sc= 0.868 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 109 MET CE :methyl 169:sc= 0 (180deg=-0.315) USER MOD Single : A 110 THR OG1 : rot -25:sc= 1.05 USER MOD Single : A 111 ASN : amide:sc= -11.5! C(o=-11!,f=-18!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 124 MET CE :methyl 161:sc= -0.275 (180deg=-0.851) USER MOD Single : A 135 GLN : amide:sc= 0.527 K(o=0.53,f=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -5.99! C(o=-9.3!,f=-6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.5!) USER MOD Single : A 144 MET CE :methyl 164:sc=-0.00582 (180deg=-0.5) USER MOD Single : A 145 MET CE :methyl -127:sc= -0.896 (180deg=-1.81) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -16.361 -1.605 1.455 1.00 0.00 N ATOM 107 CA GLU A 83 -15.338 -0.543 1.636 1.00 0.00 C ATOM 108 C GLU A 83 -14.078 -1.150 2.255 1.00 0.00 C ATOM 109 O GLU A 83 -13.165 -0.448 2.645 1.00 0.00 O ATOM 110 CB GLU A 83 -15.889 0.544 2.561 1.00 0.00 C ATOM 111 CG GLU A 83 -16.776 1.498 1.757 1.00 0.00 C ATOM 112 CD GLU A 83 -18.223 1.373 2.235 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.418 0.984 3.374 1.00 0.00 O ATOM 114 OE2 GLU A 83 -19.112 1.671 1.454 1.00 0.00 O ATOM 0 HA GLU A 83 -15.093 -0.105 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.463 0.092 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.069 1.094 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.429 2.524 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.711 1.264 0.694 1.00 0.00 H new ATOM 121 N GLU A 84 -14.022 -2.450 2.350 1.00 0.00 N ATOM 122 CA GLU A 84 -12.823 -3.104 2.944 1.00 0.00 C ATOM 123 C GLU A 84 -11.556 -2.502 2.334 1.00 0.00 C ATOM 124 O GLU A 84 -10.497 -2.532 2.927 1.00 0.00 O ATOM 125 CB GLU A 84 -12.868 -4.605 2.652 1.00 0.00 C ATOM 126 CG GLU A 84 -11.718 -5.304 3.381 1.00 0.00 C ATOM 127 CD GLU A 84 -11.500 -6.692 2.778 1.00 0.00 C ATOM 128 OE1 GLU A 84 -12.341 -7.550 2.993 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.493 -6.876 2.113 1.00 0.00 O ATOM 0 H GLU A 84 -14.756 -3.088 2.041 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.816 -2.942 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.823 -5.020 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.791 -4.780 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.807 -4.712 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.945 -5.389 4.444 1.00 0.00 H new ATOM 136 N ILE A 85 -11.656 -1.960 1.151 1.00 0.00 N ATOM 137 CA ILE A 85 -10.459 -1.362 0.504 1.00 0.00 C ATOM 138 C ILE A 85 -10.213 0.037 1.070 1.00 0.00 C ATOM 139 O ILE A 85 -9.095 0.408 1.363 1.00 0.00 O ATOM 140 CB ILE A 85 -10.690 -1.271 -1.006 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.985 -2.661 -1.560 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.439 -0.709 -1.684 1.00 0.00 C ATOM 143 CD1 ILE A 85 -12.402 -2.692 -2.135 1.00 0.00 C ATOM 0 H ILE A 85 -12.517 -1.907 0.606 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.589 -1.988 0.702 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.536 -0.612 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.261 -2.916 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.885 -3.407 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.606 -0.645 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.227 0.285 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.592 -1.366 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.612 -3.686 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -13.119 -2.455 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.486 -1.957 -2.936 1.00 0.00 H new ATOM 155 N ARG A 86 -11.246 0.820 1.228 1.00 0.00 N ATOM 156 CA ARG A 86 -11.055 2.191 1.779 1.00 0.00 C ATOM 157 C ARG A 86 -10.252 2.108 3.077 1.00 0.00 C ATOM 158 O ARG A 86 -9.403 2.934 3.345 1.00 0.00 O ATOM 159 CB ARG A 86 -12.415 2.831 2.057 1.00 0.00 C ATOM 160 CG ARG A 86 -12.445 4.240 1.460 1.00 0.00 C ATOM 161 CD ARG A 86 -13.494 5.083 2.187 1.00 0.00 C ATOM 162 NE ARG A 86 -12.918 6.420 2.505 1.00 0.00 N ATOM 163 CZ ARG A 86 -13.238 7.458 1.782 1.00 0.00 C ATOM 164 NH1 ARG A 86 -13.351 7.343 0.486 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.445 8.613 2.354 1.00 0.00 N ATOM 0 H ARG A 86 -12.209 0.571 1.001 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.515 2.800 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.210 2.224 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.596 2.875 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.463 4.705 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.677 4.190 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.382 5.196 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.808 4.583 3.103 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.273 6.524 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.189 6.441 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.601 8.155 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.357 8.704 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.695 9.424 1.789 1.00 0.00 H new ATOM 179 N GLU A 87 -10.509 1.115 3.885 1.00 0.00 N ATOM 180 CA GLU A 87 -9.754 0.985 5.163 1.00 0.00 C ATOM 181 C GLU A 87 -8.400 0.335 4.885 1.00 0.00 C ATOM 182 O GLU A 87 -7.380 0.812 5.330 1.00 0.00 O ATOM 183 CB GLU A 87 -10.548 0.125 6.152 1.00 0.00 C ATOM 184 CG GLU A 87 -10.667 -1.302 5.614 1.00 0.00 C ATOM 185 CD GLU A 87 -11.582 -2.118 6.531 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.591 -1.846 7.720 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.257 -2.999 6.028 1.00 0.00 O ATOM 0 H GLU A 87 -11.207 0.391 3.716 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.602 1.974 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.052 0.118 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.540 0.551 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.069 -1.288 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.682 -1.765 5.560 1.00 0.00 H new ATOM 194 N ALA A 88 -8.376 -0.742 4.145 1.00 0.00 N ATOM 195 CA ALA A 88 -7.074 -1.399 3.843 1.00 0.00 C ATOM 196 C ALA A 88 -6.063 -0.327 3.442 1.00 0.00 C ATOM 197 O ALA A 88 -4.880 -0.444 3.695 1.00 0.00 O ATOM 198 CB ALA A 88 -7.257 -2.387 2.689 1.00 0.00 C ATOM 0 H ALA A 88 -9.197 -1.192 3.740 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.716 -1.936 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.304 -2.868 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.989 -3.144 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.608 -1.854 1.806 1.00 0.00 H new ATOM 204 N PHE A 89 -6.524 0.722 2.819 1.00 0.00 N ATOM 205 CA PHE A 89 -5.604 1.807 2.403 1.00 0.00 C ATOM 206 C PHE A 89 -4.894 2.370 3.625 1.00 0.00 C ATOM 207 O PHE A 89 -3.683 2.406 3.691 1.00 0.00 O ATOM 208 CB PHE A 89 -6.400 2.924 1.738 1.00 0.00 C ATOM 209 CG PHE A 89 -5.457 4.045 1.391 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.597 3.908 0.297 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.439 5.216 2.157 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.718 4.942 -0.036 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.557 6.253 1.825 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.697 6.116 0.727 1.00 0.00 C ATOM 0 H PHE A 89 -7.504 0.871 2.581 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.872 1.406 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.894 2.553 0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.182 3.281 2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.612 3.002 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.103 5.320 3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.055 4.836 -0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.540 7.157 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.018 6.916 0.469 1.00 0.00 H new ATOM 224 N ARG A 90 -5.644 2.817 4.588 1.00 0.00 N ATOM 225 CA ARG A 90 -5.028 3.391 5.813 1.00 0.00 C ATOM 226 C ARG A 90 -4.226 2.308 6.535 1.00 0.00 C ATOM 227 O ARG A 90 -3.237 2.585 7.185 1.00 0.00 O ATOM 228 CB ARG A 90 -6.135 3.911 6.727 1.00 0.00 C ATOM 229 CG ARG A 90 -5.959 5.414 6.929 1.00 0.00 C ATOM 230 CD ARG A 90 -6.891 5.893 8.044 1.00 0.00 C ATOM 231 NE ARG A 90 -6.625 5.112 9.284 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.617 4.744 10.049 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.750 5.392 10.006 1.00 0.00 N ATOM 234 NH2 ARG A 90 -7.478 3.730 10.856 1.00 0.00 N ATOM 0 H ARG A 90 -6.664 2.810 4.580 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.360 4.210 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.111 3.703 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.101 3.397 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.923 5.638 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.180 5.944 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.736 6.956 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.931 5.771 7.741 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.668 4.865 9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.860 6.186 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.525 5.104 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.594 3.223 10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.254 3.443 11.453 1.00 0.00 H new ATOM 248 N VAL A 91 -4.632 1.076 6.417 1.00 0.00 N ATOM 249 CA VAL A 91 -3.881 -0.017 7.087 1.00 0.00 C ATOM 250 C VAL A 91 -2.401 0.147 6.749 1.00 0.00 C ATOM 251 O VAL A 91 -1.529 -0.218 7.512 1.00 0.00 O ATOM 252 CB VAL A 91 -4.390 -1.367 6.577 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.524 -2.490 7.148 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.839 -1.569 7.024 1.00 0.00 C ATOM 0 H VAL A 91 -5.451 0.780 5.886 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.022 0.025 8.167 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.338 -1.384 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.888 -3.451 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.491 -2.349 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.575 -2.471 8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.201 -2.531 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.890 -1.550 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.460 -0.770 6.618 1.00 0.00 H new ATOM 264 N PHE A 92 -2.119 0.717 5.609 1.00 0.00 N ATOM 265 CA PHE A 92 -0.704 0.937 5.204 1.00 0.00 C ATOM 266 C PHE A 92 -0.350 2.406 5.441 1.00 0.00 C ATOM 267 O PHE A 92 0.774 2.749 5.746 1.00 0.00 O ATOM 268 CB PHE A 92 -0.548 0.617 3.717 1.00 0.00 C ATOM 269 CG PHE A 92 -0.613 -0.879 3.512 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.848 -1.501 3.289 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.561 -1.643 3.543 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.909 -2.887 3.098 1.00 0.00 C ATOM 273 CE2 PHE A 92 0.498 -3.028 3.351 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.736 -3.651 3.129 1.00 0.00 C ATOM 0 H PHE A 92 -2.814 1.042 4.937 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.045 0.293 5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.335 1.107 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.402 1.004 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.753 -0.912 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.513 -1.164 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.861 -3.367 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.403 -3.617 3.374 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.783 -4.720 2.982 1.00 0.00 H new ATOM 284 N ASP A 93 -1.313 3.273 5.291 1.00 0.00 N ATOM 285 CA ASP A 93 -1.066 4.725 5.492 1.00 0.00 C ATOM 286 C ASP A 93 -1.345 5.097 6.951 1.00 0.00 C ATOM 287 O ASP A 93 -2.393 5.616 7.279 1.00 0.00 O ATOM 288 CB ASP A 93 -2.004 5.507 4.572 1.00 0.00 C ATOM 289 CG ASP A 93 -1.563 6.971 4.509 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.441 7.213 4.096 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.353 7.824 4.878 1.00 0.00 O ATOM 0 H ASP A 93 -2.271 3.033 5.035 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.029 4.965 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.996 5.071 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.028 5.441 4.940 1.00 0.00 H new ATOM 296 N LYS A 94 -0.415 4.833 7.827 1.00 0.00 N ATOM 297 CA LYS A 94 -0.622 5.163 9.265 1.00 0.00 C ATOM 298 C LYS A 94 -0.479 6.665 9.476 1.00 0.00 C ATOM 299 O LYS A 94 -0.964 7.216 10.444 1.00 0.00 O ATOM 300 CB LYS A 94 0.424 4.437 10.099 1.00 0.00 C ATOM 301 CG LYS A 94 0.296 2.929 9.880 1.00 0.00 C ATOM 302 CD LYS A 94 -0.477 2.308 11.044 1.00 0.00 C ATOM 303 CE LYS A 94 0.483 2.021 12.200 1.00 0.00 C ATOM 304 NZ LYS A 94 0.117 2.864 13.372 1.00 0.00 N ATOM 0 H LYS A 94 0.483 4.401 7.608 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.621 4.851 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.423 4.772 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.291 4.674 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.219 2.730 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.285 2.477 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.266 2.985 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.961 1.386 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.439 0.966 12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.509 2.229 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.703 2.597 14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.278 3.866 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.886 2.719 13.604 1.00 0.00 H new ATOM 318 N ASP A 95 0.177 7.331 8.576 1.00 0.00 N ATOM 319 CA ASP A 95 0.346 8.800 8.724 1.00 0.00 C ATOM 320 C ASP A 95 -0.951 9.497 8.297 1.00 0.00 C ATOM 321 O ASP A 95 -1.046 10.707 8.314 1.00 0.00 O ATOM 322 CB ASP A 95 1.498 9.274 7.835 1.00 0.00 C ATOM 323 CG ASP A 95 2.539 9.998 8.692 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.406 11.198 8.859 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.448 9.338 9.167 1.00 0.00 O ATOM 0 H ASP A 95 0.604 6.924 7.744 1.00 0.00 H new ATOM 0 HA ASP A 95 0.570 9.043 9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.955 8.423 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.122 9.941 7.059 1.00 0.00 H new ATOM 330 N GLY A 96 -1.953 8.730 7.931 1.00 0.00 N ATOM 331 CA GLY A 96 -3.260 9.324 7.510 1.00 0.00 C ATOM 332 C GLY A 96 -3.038 10.647 6.772 1.00 0.00 C ATOM 333 O GLY A 96 -3.779 11.595 6.947 1.00 0.00 O ATOM 0 H GLY A 96 -1.919 7.711 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.792 8.626 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.889 9.490 8.385 1.00 0.00 H new ATOM 337 N ASN A 97 -2.028 10.725 5.947 1.00 0.00 N ATOM 338 CA ASN A 97 -1.775 11.994 5.207 1.00 0.00 C ATOM 339 C ASN A 97 -2.440 11.929 3.829 1.00 0.00 C ATOM 340 O ASN A 97 -2.650 12.937 3.184 1.00 0.00 O ATOM 341 CB ASN A 97 -0.267 12.206 5.044 1.00 0.00 C ATOM 342 CG ASN A 97 0.324 11.088 4.183 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.356 9.943 4.590 1.00 0.00 O ATOM 344 ND2 ASN A 97 0.802 11.373 3.002 1.00 0.00 N ATOM 0 H ASN A 97 -1.371 9.969 5.755 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.195 12.828 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.075 13.174 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.215 12.218 6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.202 10.635 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.776 12.333 2.659 1.00 0.00 H new ATOM 351 N GLY A 98 -2.777 10.752 3.374 1.00 0.00 N ATOM 352 CA GLY A 98 -3.433 10.631 2.039 1.00 0.00 C ATOM 353 C GLY A 98 -2.562 9.784 1.110 1.00 0.00 C ATOM 354 O GLY A 98 -3.056 9.000 0.326 1.00 0.00 O ATOM 0 H GLY A 98 -2.627 9.872 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.417 10.174 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.586 11.620 1.608 1.00 0.00 H new ATOM 358 N TYR A 99 -1.271 9.938 1.190 1.00 0.00 N ATOM 359 CA TYR A 99 -0.366 9.147 0.316 1.00 0.00 C ATOM 360 C TYR A 99 0.487 8.218 1.180 1.00 0.00 C ATOM 361 O TYR A 99 0.943 8.587 2.244 1.00 0.00 O ATOM 362 CB TYR A 99 0.544 10.093 -0.459 1.00 0.00 C ATOM 363 CG TYR A 99 -0.204 10.617 -1.658 1.00 0.00 C ATOM 364 CD1 TYR A 99 -0.980 11.776 -1.550 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.128 9.937 -2.875 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.676 12.258 -2.664 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.823 10.417 -3.990 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.600 11.577 -3.885 1.00 0.00 C ATOM 369 OH TYR A 99 -2.287 12.050 -4.985 1.00 0.00 O ATOM 0 H TYR A 99 -0.802 10.582 1.827 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.958 8.556 -0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.860 10.919 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.447 9.572 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.042 12.299 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.468 9.040 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.272 13.155 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.760 9.893 -4.932 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.125 11.460 -5.751 1.00 0.00 H new ATOM 379 N ILE A 100 0.710 7.018 0.732 1.00 0.00 N ATOM 380 CA ILE A 100 1.533 6.065 1.522 1.00 0.00 C ATOM 381 C ILE A 100 3.002 6.223 1.128 1.00 0.00 C ATOM 382 O ILE A 100 3.381 5.986 -0.002 1.00 0.00 O ATOM 383 CB ILE A 100 1.071 4.641 1.223 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.337 4.436 1.802 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.038 3.640 1.865 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.992 3.212 1.165 1.00 0.00 C ATOM 0 H ILE A 100 0.356 6.654 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 100 1.420 6.269 2.587 1.00 0.00 H new ATOM 0 HB ILE A 100 1.053 4.482 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.279 4.306 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.946 5.321 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.706 2.624 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.038 3.788 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.058 3.794 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.990 3.075 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.066 3.358 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.388 2.328 1.370 1.00 0.00 H new ATOM 398 N SER A 101 3.832 6.620 2.050 1.00 0.00 N ATOM 399 CA SER A 101 5.275 6.792 1.727 1.00 0.00 C ATOM 400 C SER A 101 5.986 5.443 1.835 1.00 0.00 C ATOM 401 O SER A 101 5.465 4.499 2.396 1.00 0.00 O ATOM 402 CB SER A 101 5.899 7.780 2.710 1.00 0.00 C ATOM 403 OG SER A 101 5.755 7.279 4.033 1.00 0.00 O ATOM 0 H SER A 101 3.574 6.833 3.014 1.00 0.00 H new ATOM 0 HA SER A 101 5.379 7.175 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.954 7.926 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.415 8.753 2.622 1.00 0.00 H new ATOM 0 HG SER A 101 4.927 7.626 4.426 1.00 0.00 H new ATOM 409 N ALA A 102 7.172 5.343 1.301 1.00 0.00 N ATOM 410 CA ALA A 102 7.916 4.055 1.374 1.00 0.00 C ATOM 411 C ALA A 102 8.110 3.660 2.836 1.00 0.00 C ATOM 412 O ALA A 102 8.084 2.498 3.181 1.00 0.00 O ATOM 413 CB ALA A 102 9.282 4.213 0.703 1.00 0.00 C ATOM 0 H ALA A 102 7.658 6.098 0.817 1.00 0.00 H new ATOM 0 HA ALA A 102 7.347 3.280 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.825 3.270 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.144 4.493 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.851 4.989 1.215 1.00 0.00 H new ATOM 419 N ALA A 103 8.307 4.617 3.699 1.00 0.00 N ATOM 420 CA ALA A 103 8.503 4.292 5.134 1.00 0.00 C ATOM 421 C ALA A 103 7.195 3.756 5.716 1.00 0.00 C ATOM 422 O ALA A 103 7.194 2.926 6.604 1.00 0.00 O ATOM 423 CB ALA A 103 8.927 5.550 5.896 1.00 0.00 C ATOM 0 H ALA A 103 8.340 5.610 3.470 1.00 0.00 H new ATOM 0 HA ALA A 103 9.282 3.536 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.070 5.307 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.861 5.929 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.153 6.311 5.801 1.00 0.00 H new ATOM 429 N GLU A 104 6.079 4.216 5.219 1.00 0.00 N ATOM 430 CA GLU A 104 4.778 3.720 5.743 1.00 0.00 C ATOM 431 C GLU A 104 4.566 2.285 5.266 1.00 0.00 C ATOM 432 O GLU A 104 3.849 1.516 5.876 1.00 0.00 O ATOM 433 CB GLU A 104 3.644 4.610 5.227 1.00 0.00 C ATOM 434 CG GLU A 104 3.641 5.930 5.999 1.00 0.00 C ATOM 435 CD GLU A 104 2.719 6.929 5.299 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.541 6.635 5.181 1.00 0.00 O ATOM 437 OE2 GLU A 104 3.207 7.972 4.894 1.00 0.00 O ATOM 0 H GLU A 104 6.013 4.911 4.476 1.00 0.00 H new ATOM 0 HA GLU A 104 4.783 3.747 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.772 4.800 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.686 4.104 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.305 5.764 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.653 6.332 6.057 1.00 0.00 H new ATOM 444 N LEU A 105 5.191 1.914 4.181 1.00 0.00 N ATOM 445 CA LEU A 105 5.031 0.524 3.670 1.00 0.00 C ATOM 446 C LEU A 105 6.026 -0.394 4.384 1.00 0.00 C ATOM 447 O LEU A 105 5.746 -1.546 4.643 1.00 0.00 O ATOM 448 CB LEU A 105 5.300 0.493 2.164 1.00 0.00 C ATOM 449 CG LEU A 105 4.758 -0.814 1.583 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.279 -0.642 1.235 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.540 -1.176 0.319 1.00 0.00 C ATOM 0 H LEU A 105 5.804 2.513 3.628 1.00 0.00 H new ATOM 0 HA LEU A 105 4.013 0.183 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.823 1.345 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.370 0.574 1.972 1.00 0.00 H new ATOM 0 HG LEU A 105 4.869 -1.611 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.892 -1.573 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.721 -0.386 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.168 0.156 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.153 -2.107 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.431 -0.380 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.594 -1.299 0.566 1.00 0.00 H new ATOM 463 N ARG A 106 7.187 0.111 4.712 1.00 0.00 N ATOM 464 CA ARG A 106 8.193 -0.733 5.416 1.00 0.00 C ATOM 465 C ARG A 106 7.604 -1.182 6.756 1.00 0.00 C ATOM 466 O ARG A 106 7.941 -2.226 7.278 1.00 0.00 O ATOM 467 CB ARG A 106 9.470 0.087 5.647 1.00 0.00 C ATOM 468 CG ARG A 106 10.301 -0.541 6.770 1.00 0.00 C ATOM 469 CD ARG A 106 11.604 0.242 6.941 1.00 0.00 C ATOM 470 NE ARG A 106 12.587 -0.588 7.690 1.00 0.00 N ATOM 471 CZ ARG A 106 13.384 -0.030 8.561 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.610 1.255 8.509 1.00 0.00 N ATOM 473 NH2 ARG A 106 13.951 -0.757 9.485 1.00 0.00 N ATOM 0 H ARG A 106 7.480 1.069 4.523 1.00 0.00 H new ATOM 0 HA ARG A 106 8.440 -1.609 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.056 0.128 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.211 1.114 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.736 -0.535 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.519 -1.583 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.009 0.513 5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.414 1.172 7.477 1.00 0.00 H new ATOM 0 HE ARG A 106 12.638 -1.593 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.164 1.822 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.232 1.691 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.771 -1.760 9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.574 -0.322 10.166 1.00 0.00 H new ATOM 487 N HIS A 107 6.724 -0.394 7.311 1.00 0.00 N ATOM 488 CA HIS A 107 6.102 -0.760 8.615 1.00 0.00 C ATOM 489 C HIS A 107 5.240 -2.012 8.435 1.00 0.00 C ATOM 490 O HIS A 107 5.338 -2.959 9.190 1.00 0.00 O ATOM 491 CB HIS A 107 5.226 0.400 9.096 1.00 0.00 C ATOM 492 CG HIS A 107 4.594 0.048 10.414 1.00 0.00 C ATOM 493 ND1 HIS A 107 5.346 -0.215 11.549 1.00 0.00 N ATOM 494 CD2 HIS A 107 3.282 -0.082 10.796 1.00 0.00 C ATOM 495 CE1 HIS A 107 4.488 -0.482 12.550 1.00 0.00 C ATOM 496 NE2 HIS A 107 3.217 -0.416 12.145 1.00 0.00 N ATOM 0 H HIS A 107 6.408 0.491 6.915 1.00 0.00 H new ATOM 0 HA HIS A 107 6.881 -0.961 9.351 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.827 1.303 9.200 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.454 0.615 8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.429 0.054 10.147 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.790 -0.721 13.559 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.379 -0.576 12.704 1.00 0.00 H new ATOM 504 N VAL A 108 4.392 -2.022 7.442 1.00 0.00 N ATOM 505 CA VAL A 108 3.522 -3.206 7.214 1.00 0.00 C ATOM 506 C VAL A 108 4.068 -4.026 6.044 1.00 0.00 C ATOM 507 O VAL A 108 3.326 -4.506 5.212 1.00 0.00 O ATOM 508 CB VAL A 108 2.109 -2.731 6.881 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.165 -3.934 6.818 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.627 -1.760 7.961 1.00 0.00 C ATOM 0 H VAL A 108 4.266 -1.258 6.778 1.00 0.00 H new ATOM 0 HA VAL A 108 3.504 -3.824 8.112 1.00 0.00 H new ATOM 0 HB VAL A 108 2.116 -2.225 5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.157 -3.594 6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.506 -4.624 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.158 -4.442 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.619 -1.422 7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.621 -2.264 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.297 -0.901 8.004 1.00 0.00 H new ATOM 520 N MET A 109 5.361 -4.183 5.969 1.00 0.00 N ATOM 521 CA MET A 109 5.949 -4.964 4.846 1.00 0.00 C ATOM 522 C MET A 109 6.108 -6.427 5.260 1.00 0.00 C ATOM 523 O MET A 109 6.172 -7.312 4.430 1.00 0.00 O ATOM 524 CB MET A 109 7.320 -4.388 4.487 1.00 0.00 C ATOM 525 CG MET A 109 8.238 -4.455 5.709 1.00 0.00 C ATOM 526 SD MET A 109 9.381 -5.847 5.532 1.00 0.00 S ATOM 527 CE MET A 109 10.916 -4.915 5.756 1.00 0.00 C ATOM 0 H MET A 109 6.034 -3.805 6.636 1.00 0.00 H new ATOM 0 HA MET A 109 5.287 -4.903 3.982 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.756 -4.948 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.216 -3.356 4.153 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.796 -3.524 5.809 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.645 -4.571 6.616 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.748 -5.608 5.879 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.092 -4.288 4.882 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.834 -4.286 6.643 1.00 0.00 H new ATOM 537 N THR A 110 6.180 -6.690 6.535 1.00 0.00 N ATOM 538 CA THR A 110 6.344 -8.094 6.994 1.00 0.00 C ATOM 539 C THR A 110 4.989 -8.646 7.453 1.00 0.00 C ATOM 540 O THR A 110 4.834 -9.833 7.659 1.00 0.00 O ATOM 541 CB THR A 110 7.374 -8.118 8.139 1.00 0.00 C ATOM 542 OG1 THR A 110 8.619 -8.577 7.633 1.00 0.00 O ATOM 543 CG2 THR A 110 6.921 -9.040 9.276 1.00 0.00 C ATOM 0 H THR A 110 6.132 -5.992 7.278 1.00 0.00 H new ATOM 0 HA THR A 110 6.704 -8.724 6.181 1.00 0.00 H new ATOM 0 HB THR A 110 7.471 -7.108 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.466 -9.125 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.669 -9.035 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.969 -8.687 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.802 -10.055 8.896 1.00 0.00 H new ATOM 551 N ASN A 111 4.009 -7.801 7.618 1.00 0.00 N ATOM 552 CA ASN A 111 2.681 -8.302 8.065 1.00 0.00 C ATOM 553 C ASN A 111 2.322 -9.548 7.253 1.00 0.00 C ATOM 554 O ASN A 111 1.878 -10.543 7.790 1.00 0.00 O ATOM 555 CB ASN A 111 1.618 -7.218 7.857 1.00 0.00 C ATOM 556 CG ASN A 111 1.561 -6.821 6.381 1.00 0.00 C ATOM 557 OD1 ASN A 111 2.582 -6.651 5.744 1.00 0.00 O ATOM 558 ND2 ASN A 111 0.400 -6.654 5.807 1.00 0.00 N ATOM 0 H ASN A 111 4.070 -6.795 7.464 1.00 0.00 H new ATOM 0 HA ASN A 111 2.720 -8.554 9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.644 -7.584 8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.851 -6.346 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.351 -6.381 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.458 -6.796 6.340 1.00 0.00 H new ATOM 565 N LEU A 112 2.524 -9.504 5.964 1.00 0.00 N ATOM 566 CA LEU A 112 2.203 -10.686 5.115 1.00 0.00 C ATOM 567 C LEU A 112 2.975 -10.587 3.797 1.00 0.00 C ATOM 568 O LEU A 112 2.594 -11.170 2.802 1.00 0.00 O ATOM 569 CB LEU A 112 0.698 -10.746 4.799 1.00 0.00 C ATOM 570 CG LEU A 112 -0.092 -9.726 5.633 1.00 0.00 C ATOM 571 CD1 LEU A 112 -1.329 -9.289 4.850 1.00 0.00 C ATOM 572 CD2 LEU A 112 -0.533 -10.373 6.947 1.00 0.00 C ATOM 0 H LEU A 112 2.898 -8.699 5.462 1.00 0.00 H new ATOM 0 HA LEU A 112 2.487 -11.586 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.540 -10.551 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.323 -11.750 4.998 1.00 0.00 H new ATOM 0 HG LEU A 112 0.538 -8.862 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.894 -8.565 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.022 -8.833 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.955 -10.157 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.094 -9.649 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.165 -11.235 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.345 -10.696 7.506 1.00 0.00 H new ATOM 584 N GLY A 113 4.053 -9.852 3.775 1.00 0.00 N ATOM 585 CA GLY A 113 4.832 -9.721 2.511 1.00 0.00 C ATOM 586 C GLY A 113 6.280 -10.150 2.746 1.00 0.00 C ATOM 587 O GLY A 113 7.209 -9.494 2.319 1.00 0.00 O ATOM 0 H GLY A 113 4.427 -9.339 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.383 -10.336 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.801 -8.690 2.160 1.00 0.00 H new ATOM 591 N GLU A 114 6.484 -11.247 3.421 1.00 0.00 N ATOM 592 CA GLU A 114 7.879 -11.708 3.677 1.00 0.00 C ATOM 593 C GLU A 114 8.650 -10.598 4.399 1.00 0.00 C ATOM 594 O GLU A 114 8.117 -9.920 5.252 1.00 0.00 O ATOM 595 CB GLU A 114 8.559 -12.029 2.343 1.00 0.00 C ATOM 596 CG GLU A 114 7.614 -12.859 1.470 1.00 0.00 C ATOM 597 CD GLU A 114 8.050 -14.325 1.498 1.00 0.00 C ATOM 598 OE1 GLU A 114 9.166 -14.599 1.088 1.00 0.00 O ATOM 599 OE2 GLU A 114 7.261 -15.149 1.930 1.00 0.00 O ATOM 0 H GLU A 114 5.750 -11.842 3.805 1.00 0.00 H new ATOM 0 HA GLU A 114 7.866 -12.604 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.828 -11.106 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.484 -12.578 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.590 -12.766 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.625 -12.485 0.446 1.00 0.00 H new ATOM 606 N LYS A 115 9.898 -10.402 4.067 1.00 0.00 N ATOM 607 CA LYS A 115 10.684 -9.332 4.742 1.00 0.00 C ATOM 608 C LYS A 115 11.297 -8.408 3.688 1.00 0.00 C ATOM 609 O LYS A 115 12.440 -8.562 3.302 1.00 0.00 O ATOM 610 CB LYS A 115 11.801 -9.966 5.574 1.00 0.00 C ATOM 611 CG LYS A 115 12.592 -8.868 6.289 1.00 0.00 C ATOM 612 CD LYS A 115 13.431 -9.491 7.406 1.00 0.00 C ATOM 613 CE LYS A 115 12.532 -9.810 8.602 1.00 0.00 C ATOM 614 NZ LYS A 115 13.076 -10.990 9.333 1.00 0.00 N ATOM 0 H LYS A 115 10.405 -10.935 3.360 1.00 0.00 H new ATOM 0 HA LYS A 115 10.027 -8.756 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.378 -10.657 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.463 -10.546 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.238 -8.350 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.911 -8.124 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.915 -10.400 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.223 -8.805 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.477 -8.950 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.517 -10.016 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.465 -11.207 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.106 -11.810 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.037 -10.777 9.669 1.00 0.00 H new ATOM 628 N LEU A 116 10.549 -7.449 3.216 1.00 0.00 N ATOM 629 CA LEU A 116 11.092 -6.518 2.188 1.00 0.00 C ATOM 630 C LEU A 116 12.322 -5.802 2.744 1.00 0.00 C ATOM 631 O LEU A 116 12.931 -6.236 3.703 1.00 0.00 O ATOM 632 CB LEU A 116 10.034 -5.472 1.824 1.00 0.00 C ATOM 633 CG LEU A 116 8.738 -6.163 1.401 1.00 0.00 C ATOM 634 CD1 LEU A 116 7.618 -5.125 1.318 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.930 -6.812 0.030 1.00 0.00 C ATOM 0 H LEU A 116 9.585 -7.270 3.498 1.00 0.00 H new ATOM 0 HA LEU A 116 11.364 -7.090 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.846 -4.821 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.399 -4.840 1.015 1.00 0.00 H new ATOM 0 HG LEU A 116 8.477 -6.928 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.691 -5.613 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.482 -4.658 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.882 -4.363 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.006 -7.305 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.189 -6.047 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.732 -7.548 0.085 1.00 0.00 H new ATOM 647 N THR A 117 12.685 -4.698 2.150 1.00 0.00 N ATOM 648 CA THR A 117 13.867 -3.935 2.635 1.00 0.00 C ATOM 649 C THR A 117 13.695 -2.466 2.255 1.00 0.00 C ATOM 650 O THR A 117 12.608 -2.018 1.951 1.00 0.00 O ATOM 651 CB THR A 117 15.139 -4.480 1.980 1.00 0.00 C ATOM 652 OG1 THR A 117 15.192 -4.053 0.626 1.00 0.00 O ATOM 653 CG2 THR A 117 15.131 -6.007 2.033 1.00 0.00 C ATOM 0 H THR A 117 12.210 -4.291 1.345 1.00 0.00 H new ATOM 0 HA THR A 117 13.949 -4.036 3.717 1.00 0.00 H new ATOM 0 HB THR A 117 16.011 -4.106 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.007 -4.399 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.038 -6.392 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.091 -6.335 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.259 -6.385 1.499 1.00 0.00 H new ATOM 661 N ASP A 118 14.757 -1.714 2.258 1.00 0.00 N ATOM 662 CA ASP A 118 14.647 -0.279 1.885 1.00 0.00 C ATOM 663 C ASP A 118 14.715 -0.152 0.365 1.00 0.00 C ATOM 664 O ASP A 118 13.900 0.505 -0.251 1.00 0.00 O ATOM 665 CB ASP A 118 15.795 0.503 2.515 1.00 0.00 C ATOM 666 CG ASP A 118 15.370 1.021 3.890 1.00 0.00 C ATOM 667 OD1 ASP A 118 15.321 0.222 4.811 1.00 0.00 O ATOM 668 OD2 ASP A 118 15.101 2.205 3.998 1.00 0.00 O ATOM 0 H ASP A 118 15.695 -2.030 2.502 1.00 0.00 H new ATOM 0 HA ASP A 118 13.700 0.122 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.673 -0.135 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.076 1.337 1.872 1.00 0.00 H new ATOM 673 N GLU A 119 15.677 -0.784 -0.247 1.00 0.00 N ATOM 674 CA GLU A 119 15.787 -0.708 -1.729 1.00 0.00 C ATOM 675 C GLU A 119 14.711 -1.599 -2.349 1.00 0.00 C ATOM 676 O GLU A 119 14.390 -1.487 -3.515 1.00 0.00 O ATOM 677 CB GLU A 119 17.173 -1.182 -2.166 1.00 0.00 C ATOM 678 CG GLU A 119 18.105 0.026 -2.290 1.00 0.00 C ATOM 679 CD GLU A 119 19.250 -0.105 -1.284 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.773 -1.199 -1.152 1.00 0.00 O ATOM 681 OE2 GLU A 119 19.584 0.891 -0.663 1.00 0.00 O ATOM 0 H GLU A 119 16.390 -1.349 0.214 1.00 0.00 H new ATOM 0 HA GLU A 119 15.647 0.321 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.573 -1.891 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.107 -1.704 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.503 0.089 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.550 0.946 -2.107 1.00 0.00 H new ATOM 688 N GLU A 120 14.145 -2.476 -1.567 1.00 0.00 N ATOM 689 CA GLU A 120 13.078 -3.370 -2.091 1.00 0.00 C ATOM 690 C GLU A 120 11.726 -2.673 -1.919 1.00 0.00 C ATOM 691 O GLU A 120 10.853 -2.776 -2.756 1.00 0.00 O ATOM 692 CB GLU A 120 13.085 -4.688 -1.312 1.00 0.00 C ATOM 693 CG GLU A 120 11.778 -5.446 -1.564 1.00 0.00 C ATOM 694 CD GLU A 120 11.657 -5.775 -3.055 1.00 0.00 C ATOM 695 OE1 GLU A 120 12.674 -6.073 -3.658 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.550 -5.724 -3.565 1.00 0.00 O ATOM 0 H GLU A 120 14.378 -2.611 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 120 13.253 -3.582 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.935 -5.298 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.202 -4.491 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.758 -6.363 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.928 -4.843 -1.244 1.00 0.00 H new ATOM 703 N VAL A 121 11.551 -1.963 -0.836 1.00 0.00 N ATOM 704 CA VAL A 121 10.262 -1.253 -0.610 1.00 0.00 C ATOM 705 C VAL A 121 9.983 -0.333 -1.803 1.00 0.00 C ATOM 706 O VAL A 121 8.927 -0.380 -2.403 1.00 0.00 O ATOM 707 CB VAL A 121 10.356 -0.434 0.686 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.286 0.664 0.693 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.127 -1.359 1.885 1.00 0.00 C ATOM 0 H VAL A 121 12.246 -1.845 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 121 9.448 -1.971 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 121 11.343 0.024 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.361 1.239 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.438 1.325 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.298 0.209 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.193 -0.782 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.139 -1.813 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.886 -2.141 1.891 1.00 0.00 H new ATOM 719 N ASP A 122 10.923 0.502 -2.154 1.00 0.00 N ATOM 720 CA ASP A 122 10.715 1.418 -3.309 1.00 0.00 C ATOM 721 C ASP A 122 10.410 0.595 -4.558 1.00 0.00 C ATOM 722 O ASP A 122 9.816 1.076 -5.500 1.00 0.00 O ATOM 723 CB ASP A 122 11.984 2.233 -3.546 1.00 0.00 C ATOM 724 CG ASP A 122 12.262 3.123 -2.333 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.835 2.764 -1.248 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.899 4.149 -2.509 1.00 0.00 O ATOM 0 H ASP A 122 11.827 0.589 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 122 9.882 2.088 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.828 1.566 -3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 122 11.872 2.846 -4.440 1.00 0.00 H new ATOM 731 N GLU A 123 10.822 -0.641 -4.574 1.00 0.00 N ATOM 732 CA GLU A 123 10.561 -1.501 -5.764 1.00 0.00 C ATOM 733 C GLU A 123 9.133 -2.044 -5.684 1.00 0.00 C ATOM 734 O GLU A 123 8.490 -2.280 -6.687 1.00 0.00 O ATOM 735 CB GLU A 123 11.554 -2.666 -5.780 1.00 0.00 C ATOM 736 CG GLU A 123 11.777 -3.138 -7.219 1.00 0.00 C ATOM 737 CD GLU A 123 11.748 -4.669 -7.262 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.700 -5.273 -6.794 1.00 0.00 O ATOM 739 OE2 GLU A 123 10.776 -5.210 -7.763 1.00 0.00 O ATOM 0 H GLU A 123 11.329 -1.095 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 123 10.680 -0.916 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.501 -2.355 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.174 -3.488 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.005 -2.730 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.734 -2.771 -7.590 1.00 0.00 H new ATOM 746 N MET A 124 8.625 -2.230 -4.496 1.00 0.00 N ATOM 747 CA MET A 124 7.235 -2.740 -4.354 1.00 0.00 C ATOM 748 C MET A 124 6.269 -1.585 -4.613 1.00 0.00 C ATOM 749 O MET A 124 5.141 -1.779 -5.024 1.00 0.00 O ATOM 750 CB MET A 124 7.027 -3.283 -2.943 1.00 0.00 C ATOM 751 CG MET A 124 7.810 -4.588 -2.782 1.00 0.00 C ATOM 752 SD MET A 124 6.660 -5.945 -2.449 1.00 0.00 S ATOM 753 CE MET A 124 5.736 -5.848 -4.003 1.00 0.00 C ATOM 0 H MET A 124 9.114 -2.050 -3.619 1.00 0.00 H new ATOM 0 HA MET A 124 7.055 -3.544 -5.068 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.361 -2.552 -2.207 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.967 -3.457 -2.761 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.382 -4.795 -3.687 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.527 -4.496 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.205 -6.785 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.019 -5.029 -3.949 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.427 -5.672 -4.827 1.00 0.00 H new ATOM 763 N ILE A 125 6.717 -0.382 -4.383 1.00 0.00 N ATOM 764 CA ILE A 125 5.859 0.803 -4.617 1.00 0.00 C ATOM 765 C ILE A 125 5.950 1.201 -6.089 1.00 0.00 C ATOM 766 O ILE A 125 4.982 1.598 -6.704 1.00 0.00 O ATOM 767 CB ILE A 125 6.360 1.960 -3.756 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.043 1.672 -2.284 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.666 3.253 -4.196 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.197 2.953 -1.459 1.00 0.00 C ATOM 0 H ILE A 125 7.654 -0.172 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 125 4.826 0.570 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 125 7.438 2.071 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.027 1.288 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.712 0.901 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.020 4.083 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.895 3.451 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.588 3.147 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.970 2.742 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.221 3.318 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.510 3.712 -1.833 1.00 0.00 H new ATOM 782 N ARG A 126 7.122 1.103 -6.647 1.00 0.00 N ATOM 783 CA ARG A 126 7.316 1.476 -8.078 1.00 0.00 C ATOM 784 C ARG A 126 6.324 0.704 -8.958 1.00 0.00 C ATOM 785 O ARG A 126 5.860 1.197 -9.965 1.00 0.00 O ATOM 786 CB ARG A 126 8.767 1.157 -8.489 1.00 0.00 C ATOM 787 CG ARG A 126 8.870 -0.255 -9.082 1.00 0.00 C ATOM 788 CD ARG A 126 10.295 -0.493 -9.583 1.00 0.00 C ATOM 789 NE ARG A 126 10.810 0.750 -10.222 1.00 0.00 N ATOM 790 CZ ARG A 126 11.857 1.356 -9.729 1.00 0.00 C ATOM 791 NH1 ARG A 126 12.055 1.372 -8.438 1.00 0.00 N ATOM 792 NH2 ARG A 126 12.707 1.942 -10.528 1.00 0.00 N ATOM 0 H ARG A 126 7.963 0.778 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 126 7.133 2.542 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.112 1.889 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.422 1.240 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.609 -0.998 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.161 -0.370 -9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.940 -0.782 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.308 -1.315 -10.299 1.00 0.00 H new ATOM 0 HE ARG A 126 10.344 1.129 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.392 0.911 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.873 1.845 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.553 1.926 -11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.525 2.415 -10.144 1.00 0.00 H new ATOM 806 N GLU A 127 5.998 -0.503 -8.588 1.00 0.00 N ATOM 807 CA GLU A 127 5.042 -1.295 -9.411 1.00 0.00 C ATOM 808 C GLU A 127 3.617 -1.025 -8.931 1.00 0.00 C ATOM 809 O GLU A 127 2.655 -1.284 -9.627 1.00 0.00 O ATOM 810 CB GLU A 127 5.360 -2.784 -9.272 1.00 0.00 C ATOM 811 CG GLU A 127 6.874 -2.987 -9.342 1.00 0.00 C ATOM 812 CD GLU A 127 7.176 -4.358 -9.946 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.298 -4.906 -10.590 1.00 0.00 O ATOM 814 OE2 GLU A 127 8.282 -4.838 -9.753 1.00 0.00 O ATOM 0 H GLU A 127 6.351 -0.974 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 127 5.133 -1.005 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.974 -3.163 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.869 -3.348 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.329 -2.203 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.308 -2.913 -8.345 1.00 0.00 H new ATOM 821 N ALA A 128 3.476 -0.504 -7.745 1.00 0.00 N ATOM 822 CA ALA A 128 2.117 -0.212 -7.212 1.00 0.00 C ATOM 823 C ALA A 128 1.758 1.251 -7.484 1.00 0.00 C ATOM 824 O ALA A 128 0.657 1.688 -7.217 1.00 0.00 O ATOM 825 CB ALA A 128 2.105 -0.463 -5.705 1.00 0.00 C ATOM 0 H ALA A 128 4.246 -0.267 -7.120 1.00 0.00 H new ATOM 0 HA ALA A 128 1.389 -0.859 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.112 -0.251 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.360 -1.504 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.835 0.187 -5.222 1.00 0.00 H new ATOM 831 N ASP A 129 2.679 2.013 -8.008 1.00 0.00 N ATOM 832 CA ASP A 129 2.387 3.446 -8.288 1.00 0.00 C ATOM 833 C ASP A 129 1.645 3.575 -9.618 1.00 0.00 C ATOM 834 O ASP A 129 1.404 2.602 -10.304 1.00 0.00 O ATOM 835 CB ASP A 129 3.701 4.227 -8.357 1.00 0.00 C ATOM 836 CG ASP A 129 4.511 3.780 -9.577 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.963 3.784 -10.667 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.670 3.444 -9.399 1.00 0.00 O ATOM 0 H ASP A 129 3.620 1.705 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 129 1.763 3.849 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.496 5.296 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.279 4.065 -7.447 1.00 0.00 H new ATOM 843 N ILE A 130 1.279 4.771 -9.981 1.00 0.00 N ATOM 844 CA ILE A 130 0.551 4.970 -11.265 1.00 0.00 C ATOM 845 C ILE A 130 1.544 4.995 -12.423 1.00 0.00 C ATOM 846 O ILE A 130 1.378 4.310 -13.413 1.00 0.00 O ATOM 847 CB ILE A 130 -0.208 6.296 -11.222 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.287 6.228 -10.141 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.862 6.553 -12.579 1.00 0.00 C ATOM 850 CD1 ILE A 130 -1.599 7.641 -9.645 1.00 0.00 C ATOM 0 H ILE A 130 1.452 5.621 -9.444 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.152 4.150 -11.408 1.00 0.00 H new ATOM 0 HB ILE A 130 0.485 7.106 -10.994 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -2.189 5.764 -10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.948 5.606 -9.312 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.403 7.499 -12.549 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.093 6.600 -13.350 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.556 5.744 -12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.368 7.594 -8.874 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.696 8.089 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.955 8.248 -10.477 1.00 0.00 H new ATOM 862 N ASP A 131 2.571 5.785 -12.312 1.00 0.00 N ATOM 863 CA ASP A 131 3.570 5.864 -13.414 1.00 0.00 C ATOM 864 C ASP A 131 4.995 5.774 -12.856 1.00 0.00 C ATOM 865 O ASP A 131 5.913 5.389 -13.552 1.00 0.00 O ATOM 866 CB ASP A 131 3.398 7.189 -14.161 1.00 0.00 C ATOM 867 CG ASP A 131 3.533 8.354 -13.179 1.00 0.00 C ATOM 868 OD1 ASP A 131 4.647 8.809 -12.980 1.00 0.00 O ATOM 869 OD2 ASP A 131 2.519 8.773 -12.645 1.00 0.00 O ATOM 0 H ASP A 131 2.764 6.380 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 131 3.408 5.029 -14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 131 4.148 7.275 -14.947 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.422 7.220 -14.646 1.00 0.00 H new ATOM 874 N GLY A 132 5.200 6.127 -11.612 1.00 0.00 N ATOM 875 CA GLY A 132 6.573 6.055 -11.044 1.00 0.00 C ATOM 876 C GLY A 132 6.835 7.303 -10.202 1.00 0.00 C ATOM 877 O GLY A 132 7.910 7.869 -10.231 1.00 0.00 O ATOM 0 H GLY A 132 4.479 6.459 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.679 5.160 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.308 5.982 -11.846 1.00 0.00 H new ATOM 881 N ASP A 133 5.863 7.733 -9.447 1.00 0.00 N ATOM 882 CA ASP A 133 6.061 8.939 -8.599 1.00 0.00 C ATOM 883 C ASP A 133 6.843 8.540 -7.357 1.00 0.00 C ATOM 884 O ASP A 133 7.511 9.342 -6.734 1.00 0.00 O ATOM 885 CB ASP A 133 4.708 9.508 -8.185 1.00 0.00 C ATOM 886 CG ASP A 133 3.754 8.367 -7.822 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.144 7.527 -7.027 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.652 8.355 -8.343 1.00 0.00 O ATOM 0 H ASP A 133 4.941 7.301 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 133 6.609 9.697 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.830 10.177 -7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.288 10.100 -8.998 1.00 0.00 H new ATOM 893 N GLY A 134 6.767 7.296 -7.006 1.00 0.00 N ATOM 894 CA GLY A 134 7.510 6.803 -5.808 1.00 0.00 C ATOM 895 C GLY A 134 6.556 6.649 -4.622 1.00 0.00 C ATOM 896 O GLY A 134 6.787 5.855 -3.732 1.00 0.00 O ATOM 0 H GLY A 134 6.220 6.588 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.981 5.846 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.309 7.500 -5.554 1.00 0.00 H new ATOM 900 N GLN A 135 5.489 7.399 -4.596 1.00 0.00 N ATOM 901 CA GLN A 135 4.528 7.286 -3.463 1.00 0.00 C ATOM 902 C GLN A 135 3.300 6.504 -3.915 1.00 0.00 C ATOM 903 O GLN A 135 3.139 6.195 -5.079 1.00 0.00 O ATOM 904 CB GLN A 135 4.080 8.681 -3.018 1.00 0.00 C ATOM 905 CG GLN A 135 3.175 9.287 -4.089 1.00 0.00 C ATOM 906 CD GLN A 135 3.458 10.784 -4.221 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.455 11.179 -4.793 1.00 0.00 O ATOM 908 NE2 GLN A 135 2.616 11.643 -3.713 1.00 0.00 N ATOM 0 H GLN A 135 5.241 8.085 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 135 5.018 6.774 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.548 8.619 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.948 9.320 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.344 8.790 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.129 9.127 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.779 11.313 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 135 2.796 12.644 -3.797 1.00 0.00 H new ATOM 917 N VAL A 136 2.417 6.207 -3.006 1.00 0.00 N ATOM 918 CA VAL A 136 1.184 5.476 -3.379 1.00 0.00 C ATOM 919 C VAL A 136 -0.008 6.306 -2.919 1.00 0.00 C ATOM 920 O VAL A 136 0.122 7.189 -2.099 1.00 0.00 O ATOM 921 CB VAL A 136 1.166 4.114 -2.686 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.212 3.473 -2.855 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.228 3.208 -3.314 1.00 0.00 C ATOM 0 H VAL A 136 2.499 6.442 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 136 1.143 5.319 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 136 1.379 4.245 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.225 2.502 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.970 4.117 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.425 3.343 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.216 2.236 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.014 3.078 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.211 3.663 -3.195 1.00 0.00 H new ATOM 933 N ASN A 137 -1.166 6.041 -3.431 1.00 0.00 N ATOM 934 CA ASN A 137 -2.355 6.826 -3.008 1.00 0.00 C ATOM 935 C ASN A 137 -3.543 5.877 -2.913 1.00 0.00 C ATOM 936 O ASN A 137 -3.378 4.676 -2.899 1.00 0.00 O ATOM 937 CB ASN A 137 -2.625 7.921 -4.033 1.00 0.00 C ATOM 938 CG ASN A 137 -3.404 9.064 -3.380 1.00 0.00 C ATOM 939 OD1 ASN A 137 -2.973 9.571 -2.258 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 -4.415 9.500 -3.896 1.00 0.00 N flip ATOM 0 H ASN A 137 -1.346 5.315 -4.125 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.185 7.295 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.684 8.294 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.192 7.515 -4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.752 9.103 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.926 10.262 -3.452 1.00 0.00 H new ATOM 947 N TYR A 138 -4.735 6.386 -2.839 1.00 0.00 N ATOM 948 CA TYR A 138 -5.903 5.479 -2.738 1.00 0.00 C ATOM 949 C TYR A 138 -6.198 4.857 -4.106 1.00 0.00 C ATOM 950 O TYR A 138 -6.536 3.696 -4.204 1.00 0.00 O ATOM 951 CB TYR A 138 -7.114 6.265 -2.256 1.00 0.00 C ATOM 952 CG TYR A 138 -8.282 5.328 -2.155 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.274 4.326 -1.184 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.362 5.451 -3.031 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.350 3.439 -1.085 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.442 4.566 -2.935 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.436 3.559 -1.961 1.00 0.00 C ATOM 958 OH TYR A 138 -11.501 2.685 -1.864 1.00 0.00 O ATOM 0 H TYR A 138 -4.950 7.383 -2.844 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.682 4.683 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.909 6.720 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.339 7.077 -2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.436 4.236 -0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.364 6.228 -3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.344 2.663 -0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.279 4.659 -3.611 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.170 2.907 -2.545 1.00 0.00 H new ATOM 968 N GLU A 139 -6.075 5.613 -5.160 1.00 0.00 N ATOM 969 CA GLU A 139 -6.347 5.048 -6.511 1.00 0.00 C ATOM 970 C GLU A 139 -5.233 4.064 -6.880 1.00 0.00 C ATOM 971 O GLU A 139 -5.464 3.066 -7.533 1.00 0.00 O ATOM 972 CB GLU A 139 -6.397 6.178 -7.542 1.00 0.00 C ATOM 973 CG GLU A 139 -6.788 5.607 -8.908 1.00 0.00 C ATOM 974 CD GLU A 139 -7.215 6.746 -9.834 1.00 0.00 C ATOM 975 OE1 GLU A 139 -6.880 7.881 -9.538 1.00 0.00 O ATOM 976 OE2 GLU A 139 -7.870 6.467 -10.824 1.00 0.00 O ATOM 0 H GLU A 139 -5.799 6.595 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.305 4.529 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.118 6.935 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.426 6.669 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.947 5.067 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.602 4.891 -8.795 1.00 0.00 H new ATOM 983 N GLU A 140 -4.028 4.332 -6.455 1.00 0.00 N ATOM 984 CA GLU A 140 -2.903 3.408 -6.768 1.00 0.00 C ATOM 985 C GLU A 140 -2.948 2.230 -5.794 1.00 0.00 C ATOM 986 O GLU A 140 -2.531 1.133 -6.104 1.00 0.00 O ATOM 987 CB GLU A 140 -1.572 4.150 -6.614 1.00 0.00 C ATOM 988 CG GLU A 140 -1.747 5.613 -7.026 1.00 0.00 C ATOM 989 CD GLU A 140 -0.376 6.280 -7.137 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.614 5.585 -6.973 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.338 7.474 -7.386 1.00 0.00 O ATOM 0 H GLU A 140 -3.775 5.152 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 140 -2.994 3.046 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.229 4.092 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.808 3.677 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.270 5.673 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.360 6.137 -6.293 1.00 0.00 H new ATOM 998 N PHE A 141 -3.457 2.456 -4.614 1.00 0.00 N ATOM 999 CA PHE A 141 -3.543 1.365 -3.607 1.00 0.00 C ATOM 1000 C PHE A 141 -4.740 0.469 -3.933 1.00 0.00 C ATOM 1001 O PHE A 141 -4.780 -0.689 -3.572 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.737 1.987 -2.224 1.00 0.00 C ATOM 1003 CG PHE A 141 -4.127 0.919 -1.232 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -3.137 0.190 -0.565 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.480 0.664 -0.975 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.498 -0.796 0.359 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.842 -0.322 -0.050 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.851 -1.053 0.617 1.00 0.00 C ATOM 0 H PHE A 141 -3.819 3.358 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.630 0.770 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.817 2.476 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.508 2.756 -2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.094 0.388 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.243 1.228 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.734 -1.359 0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.885 -0.519 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.130 -1.815 1.330 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.717 1.005 -4.610 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.922 0.199 -4.959 1.00 0.00 C ATOM 1020 C VAL A 142 -6.509 -1.020 -5.787 1.00 0.00 C ATOM 1021 O VAL A 142 -6.917 -2.132 -5.515 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.892 1.060 -5.773 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -8.983 0.174 -6.380 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.540 2.101 -4.858 1.00 0.00 C ATOM 0 H VAL A 142 -5.733 1.971 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.408 -0.136 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.345 1.561 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.672 0.790 -6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.526 -0.570 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.529 -0.329 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.231 2.714 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.084 1.596 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.767 2.736 -4.424 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.712 -0.821 -6.799 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.284 -1.972 -7.644 1.00 0.00 C ATOM 1036 C GLN A 143 -4.397 -2.918 -6.830 1.00 0.00 C ATOM 1037 O GLN A 143 -4.318 -4.098 -7.106 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.503 -1.457 -8.853 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.409 -0.574 -9.712 1.00 0.00 C ATOM 1040 CD GLN A 143 -4.731 0.777 -9.947 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -3.872 1.179 -9.187 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.079 1.497 -10.978 1.00 0.00 N ATOM 0 H GLN A 143 -5.339 0.086 -7.078 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.168 -2.513 -7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.633 -0.889 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.131 -2.295 -9.442 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.612 -1.062 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.369 -0.430 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.800 1.159 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.630 2.397 -11.146 1.00 0.00 H new ATOM 1051 N MET A 144 -3.729 -2.412 -5.831 1.00 0.00 N ATOM 1052 CA MET A 144 -2.850 -3.288 -5.006 1.00 0.00 C ATOM 1053 C MET A 144 -3.696 -4.024 -3.965 1.00 0.00 C ATOM 1054 O MET A 144 -3.305 -5.053 -3.450 1.00 0.00 O ATOM 1055 CB MET A 144 -1.800 -2.431 -4.297 1.00 0.00 C ATOM 1056 CG MET A 144 -0.925 -3.319 -3.413 1.00 0.00 C ATOM 1057 SD MET A 144 0.593 -2.431 -2.983 1.00 0.00 S ATOM 1058 CE MET A 144 -0.169 -1.179 -1.923 1.00 0.00 C ATOM 0 H MET A 144 -3.753 -1.432 -5.550 1.00 0.00 H new ATOM 0 HA MET A 144 -2.353 -4.015 -5.649 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.184 -1.912 -5.031 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.288 -1.667 -3.692 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.466 -3.596 -2.508 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.682 -4.244 -3.935 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.600 -0.694 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.669 -0.434 -2.542 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.898 -1.653 -1.266 1.00 0.00 H new ATOM 1068 N MET A 145 -4.849 -3.504 -3.647 1.00 0.00 N ATOM 1069 CA MET A 145 -5.715 -4.166 -2.641 1.00 0.00 C ATOM 1070 C MET A 145 -6.608 -5.200 -3.328 1.00 0.00 C ATOM 1071 O MET A 145 -6.495 -6.387 -3.095 1.00 0.00 O ATOM 1072 CB MET A 145 -6.588 -3.115 -1.950 1.00 0.00 C ATOM 1073 CG MET A 145 -6.757 -3.479 -0.475 1.00 0.00 C ATOM 1074 SD MET A 145 -7.874 -4.895 -0.326 1.00 0.00 S ATOM 1075 CE MET A 145 -6.605 -6.151 -0.033 1.00 0.00 C ATOM 0 H MET A 145 -5.227 -2.644 -4.045 1.00 0.00 H new ATOM 0 HA MET A 145 -5.091 -4.666 -1.901 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.130 -2.130 -2.042 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.562 -3.060 -2.436 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.789 -3.718 -0.035 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.156 -2.628 0.077 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.731 -6.968 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.618 -5.707 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 145 -6.701 -6.535 0.983 1.00 0.00 H new ATOM 1085 N THR A 146 -7.499 -4.756 -4.171 1.00 0.00 N ATOM 1086 CA THR A 146 -8.406 -5.711 -4.873 1.00 0.00 C ATOM 1087 C THR A 146 -7.630 -6.448 -5.968 1.00 0.00 C ATOM 1088 O THR A 146 -7.735 -7.649 -6.114 1.00 0.00 O ATOM 1089 CB THR A 146 -9.571 -4.942 -5.507 1.00 0.00 C ATOM 1090 OG1 THR A 146 -9.430 -3.555 -5.238 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.893 -5.443 -4.925 1.00 0.00 C ATOM 0 H THR A 146 -7.639 -3.773 -4.405 1.00 0.00 H new ATOM 0 HA THR A 146 -8.794 -6.432 -4.154 1.00 0.00 H new ATOM 0 HB THR A 146 -9.565 -5.104 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 146 -10.175 -3.065 -5.646 1.00 0.00 H new ATOM 0 HG21 THR A 146 -11.720 -4.895 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 146 -11.004 -6.507 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 146 -10.899 -5.285 -3.847 1.00 0.00 H new