USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 33 HIS : no HD1:sc= -6.2! C(o=-6.4!,f=-6!) USER MOD Set 1.2: A 37 ASN : amide:sc= -0.232 K(o=-6.4,f=-8.1!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 163:sc= -2.48! (180deg=-0.567) USER MOD Set 2.2: A 22 GLN : amide:sc= -3.09! K(o=-5.6!,f=-0.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -13.7! K(o=-14!,f=-1.9) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.169 USER MOD Single : A 35 MET CE :methyl 167:sc= -0.0628 (180deg=-0.27) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0214 (180deg=-0.426) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 49 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.1) USER MOD Single : A 50 MET CE :methyl -166:sc= -0.248 (180deg=-0.696) USER MOD Single : A 52 LYS NZ :NH3+ 140:sc= -1.22 (180deg=-1.74) USER MOD Single : A 61 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.8!) USER MOD Single : A 63 ASN : amide:sc= -5.04! C(o=-5!,f=-15!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -115:sc= -2.87 (180deg=-5.68!) USER MOD Single : A 70 MET CE :methyl -142:sc= -0.286 (180deg=-1.65!) USER MOD Single : A 71 MET CE :methyl -169:sc= -4.05! (180deg=-4.93!) USER MOD Single : A 72 MET CE :methyl 154:sc= -0.123 (180deg=-1.64) USER MOD Single : A 73 THR OG1 : rot 76:sc= 0.817 USER MOD Single : A 81 ASN : amide:sc= -1.76! C(o=-1.8!,f=-13!) USER MOD Single : A 84 SER OG : rot 132:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.160 -1.237 -2.421 1.00 0.00 N ATOM 108 CA GLU A 9 13.933 -0.557 -3.689 1.00 0.00 C ATOM 109 C GLU A 9 12.491 -0.736 -4.141 1.00 0.00 C ATOM 110 O GLU A 9 11.858 0.216 -4.599 1.00 0.00 O ATOM 111 CB GLU A 9 14.866 -1.125 -4.758 1.00 0.00 C ATOM 112 CG GLU A 9 16.321 -0.841 -4.379 1.00 0.00 C ATOM 113 CD GLU A 9 16.585 0.661 -4.404 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.831 1.362 -5.061 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.530 1.087 -3.765 1.00 0.00 O ATOM 0 HA GLU A 9 14.134 0.505 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.709 -2.199 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.639 -0.679 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.531 -1.239 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.991 -1.348 -5.073 1.00 0.00 H new ATOM 122 N GLU A 10 11.970 -1.953 -4.012 1.00 0.00 N ATOM 123 CA GLU A 10 10.601 -2.215 -4.428 1.00 0.00 C ATOM 124 C GLU A 10 9.609 -1.366 -3.641 1.00 0.00 C ATOM 125 O GLU A 10 8.780 -0.662 -4.220 1.00 0.00 O ATOM 126 CB GLU A 10 10.279 -3.694 -4.219 1.00 0.00 C ATOM 127 CG GLU A 10 8.835 -3.987 -4.653 1.00 0.00 C ATOM 128 CD GLU A 10 7.866 -3.714 -3.502 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.679 -4.601 -2.681 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.324 -2.622 -3.457 1.00 0.00 O ATOM 0 H GLU A 10 12.466 -2.758 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 10 10.511 -1.956 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.971 -4.309 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.412 -3.958 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.574 -3.368 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.748 -5.026 -4.971 1.00 0.00 H new ATOM 137 N LEU A 11 9.685 -1.447 -2.322 1.00 0.00 N ATOM 138 CA LEU A 11 8.775 -0.696 -1.467 1.00 0.00 C ATOM 139 C LEU A 11 8.964 0.802 -1.657 1.00 0.00 C ATOM 140 O LEU A 11 7.992 1.553 -1.728 1.00 0.00 O ATOM 141 CB LEU A 11 9.033 -1.054 -0.003 1.00 0.00 C ATOM 142 CG LEU A 11 8.756 -2.546 0.223 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.336 -2.974 1.575 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.248 -2.814 0.213 1.00 0.00 C ATOM 0 H LEU A 11 10.363 -2.021 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 11 7.753 -0.958 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.065 -0.822 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.395 -0.454 0.646 1.00 0.00 H new ATOM 0 HG LEU A 11 9.224 -3.116 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.139 -4.034 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.412 -2.799 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.870 -2.393 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.066 -3.877 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.771 -2.239 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.832 -2.517 -0.750 1.00 0.00 H new ATOM 156 N LYS A 12 10.218 1.230 -1.737 1.00 0.00 N ATOM 157 CA LYS A 12 10.513 2.645 -1.908 1.00 0.00 C ATOM 158 C LYS A 12 10.008 3.151 -3.254 1.00 0.00 C ATOM 159 O LYS A 12 9.319 4.167 -3.325 1.00 0.00 O ATOM 160 CB LYS A 12 12.018 2.868 -1.812 1.00 0.00 C ATOM 161 CG LYS A 12 12.313 4.367 -1.730 1.00 0.00 C ATOM 162 CD LYS A 12 13.808 4.589 -1.447 1.00 0.00 C ATOM 163 CE LYS A 12 14.074 4.484 0.061 1.00 0.00 C ATOM 164 NZ LYS A 12 15.481 4.873 0.345 1.00 0.00 N ATOM 0 H LYS A 12 11.038 0.625 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 12 10.004 3.199 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.415 2.361 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.515 2.437 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.034 4.853 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.713 4.823 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.403 3.849 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.115 5.569 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.389 5.132 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.891 3.465 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.661 4.802 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.127 4.237 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.640 5.852 0.033 1.00 0.00 H new ATOM 178 N GLU A 13 10.351 2.434 -4.316 1.00 0.00 N ATOM 179 CA GLU A 13 9.922 2.826 -5.655 1.00 0.00 C ATOM 180 C GLU A 13 8.399 2.857 -5.746 1.00 0.00 C ATOM 181 O GLU A 13 7.807 3.847 -6.188 1.00 0.00 O ATOM 182 CB GLU A 13 10.482 1.840 -6.686 1.00 0.00 C ATOM 183 CG GLU A 13 11.989 2.062 -6.862 1.00 0.00 C ATOM 184 CD GLU A 13 12.239 3.405 -7.535 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.331 3.898 -8.183 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.338 3.917 -7.402 1.00 0.00 O ATOM 0 H GLU A 13 10.918 1.587 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 13 10.302 3.826 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.293 0.817 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.973 1.972 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.486 2.033 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.416 1.259 -7.463 1.00 0.00 H new ATOM 193 N ALA A 14 7.769 1.769 -5.319 1.00 0.00 N ATOM 194 CA ALA A 14 6.315 1.686 -5.353 1.00 0.00 C ATOM 195 C ALA A 14 5.697 2.814 -4.536 1.00 0.00 C ATOM 196 O ALA A 14 4.767 3.480 -4.986 1.00 0.00 O ATOM 197 CB ALA A 14 5.857 0.336 -4.799 1.00 0.00 C ATOM 0 H ALA A 14 8.236 0.941 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 14 5.986 1.782 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.769 0.281 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.277 -0.467 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.199 0.230 -3.769 1.00 0.00 H new ATOM 203 N PHE A 15 6.224 3.023 -3.335 1.00 0.00 N ATOM 204 CA PHE A 15 5.712 4.074 -2.461 1.00 0.00 C ATOM 205 C PHE A 15 5.764 5.425 -3.163 1.00 0.00 C ATOM 206 O PHE A 15 4.819 6.209 -3.091 1.00 0.00 O ATOM 207 CB PHE A 15 6.537 4.131 -1.174 1.00 0.00 C ATOM 208 CG PHE A 15 5.977 5.195 -0.262 1.00 0.00 C ATOM 209 CD1 PHE A 15 4.875 4.909 0.553 1.00 0.00 C ATOM 210 CD2 PHE A 15 6.558 6.469 -0.232 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.355 5.898 1.400 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.038 7.456 0.614 1.00 0.00 C ATOM 213 CZ PHE A 15 4.937 7.171 1.429 1.00 0.00 C ATOM 0 H PHE A 15 6.998 2.485 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 15 4.675 3.845 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.518 3.162 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.579 4.349 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.426 3.927 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.407 6.690 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.506 5.678 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.487 8.438 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.536 7.933 2.081 1.00 0.00 H new ATOM 223 N LYS A 16 6.876 5.692 -3.838 1.00 0.00 N ATOM 224 CA LYS A 16 7.043 6.955 -4.549 1.00 0.00 C ATOM 225 C LYS A 16 5.986 7.094 -5.640 1.00 0.00 C ATOM 226 O LYS A 16 5.507 8.192 -5.919 1.00 0.00 O ATOM 227 CB LYS A 16 8.437 7.023 -5.174 1.00 0.00 C ATOM 228 CG LYS A 16 8.665 8.415 -5.764 1.00 0.00 C ATOM 229 CD LYS A 16 10.074 8.495 -6.355 1.00 0.00 C ATOM 230 CE LYS A 16 10.302 9.889 -6.942 1.00 0.00 C ATOM 231 NZ LYS A 16 10.214 10.907 -5.858 1.00 0.00 N ATOM 0 H LYS A 16 7.671 5.056 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 16 6.926 7.772 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.195 6.807 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.535 6.266 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.923 8.620 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.540 9.174 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.816 8.288 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.199 7.738 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.279 9.937 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.559 10.097 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.643 11.797 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.216 11.071 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.722 10.564 -5.018 1.00 0.00 H new ATOM 245 N VAL A 17 5.621 5.969 -6.248 1.00 0.00 N ATOM 246 CA VAL A 17 4.602 5.971 -7.295 1.00 0.00 C ATOM 247 C VAL A 17 3.209 6.177 -6.701 1.00 0.00 C ATOM 248 O VAL A 17 2.381 6.895 -7.259 1.00 0.00 O ATOM 249 CB VAL A 17 4.648 4.659 -8.078 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.514 4.637 -9.105 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.992 4.552 -8.798 1.00 0.00 C ATOM 0 H VAL A 17 6.011 5.051 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 17 4.812 6.799 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 17 4.531 3.819 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.547 3.701 -9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.556 4.720 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.630 5.474 -9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.031 3.618 -9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.105 5.392 -9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.799 4.570 -8.066 1.00 0.00 H new ATOM 261 N PHE A 18 2.957 5.526 -5.570 1.00 0.00 N ATOM 262 CA PHE A 18 1.657 5.634 -4.913 1.00 0.00 C ATOM 263 C PHE A 18 1.372 7.078 -4.527 1.00 0.00 C ATOM 264 O PHE A 18 0.269 7.580 -4.744 1.00 0.00 O ATOM 265 CB PHE A 18 1.630 4.741 -3.653 1.00 0.00 C ATOM 266 CG PHE A 18 1.014 3.403 -3.982 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.377 3.286 -4.067 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.826 2.288 -4.206 1.00 0.00 C ATOM 269 CE1 PHE A 18 -0.957 2.052 -4.375 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.247 1.054 -4.517 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.145 0.937 -4.602 1.00 0.00 C ATOM 0 H PHE A 18 3.627 4.924 -5.092 1.00 0.00 H new ATOM 0 HA PHE A 18 0.887 5.301 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.643 4.601 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.059 5.229 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.003 4.149 -3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.900 2.379 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.031 1.960 -4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.873 0.192 -4.692 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.592 -0.016 -4.843 1.00 0.00 H new ATOM 281 N ASP A 19 2.366 7.741 -3.947 1.00 0.00 N ATOM 282 CA ASP A 19 2.199 9.125 -3.528 1.00 0.00 C ATOM 283 C ASP A 19 2.447 10.071 -4.699 1.00 0.00 C ATOM 284 O ASP A 19 3.496 10.707 -4.785 1.00 0.00 O ATOM 285 CB ASP A 19 3.175 9.448 -2.398 1.00 0.00 C ATOM 286 CG ASP A 19 2.735 10.714 -1.671 1.00 0.00 C ATOM 287 OD1 ASP A 19 1.732 11.288 -2.071 1.00 0.00 O ATOM 288 OD2 ASP A 19 3.403 11.089 -0.725 1.00 0.00 O ATOM 0 H ASP A 19 3.287 7.346 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 19 1.176 9.258 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.221 8.614 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.179 9.581 -2.801 1.00 0.00 H new ATOM 293 N LYS A 20 1.478 10.154 -5.598 1.00 0.00 N ATOM 294 CA LYS A 20 1.603 11.016 -6.763 1.00 0.00 C ATOM 295 C LYS A 20 1.878 12.448 -6.334 1.00 0.00 C ATOM 296 O LYS A 20 2.690 13.143 -6.946 1.00 0.00 O ATOM 297 CB LYS A 20 0.312 10.963 -7.586 1.00 0.00 C ATOM 298 CG LYS A 20 0.187 9.605 -8.298 1.00 0.00 C ATOM 299 CD LYS A 20 0.970 9.636 -9.617 1.00 0.00 C ATOM 300 CE LYS A 20 0.798 8.305 -10.342 1.00 0.00 C ATOM 301 NZ LYS A 20 1.538 8.352 -11.634 1.00 0.00 N ATOM 0 H LYS A 20 0.600 9.637 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 20 2.436 10.665 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.548 11.121 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.308 11.768 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.569 8.811 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.862 9.381 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.614 10.453 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.026 9.822 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.173 7.489 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.259 8.109 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.424 7.446 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.160 9.121 -12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.548 8.521 -11.450 1.00 0.00 H new ATOM 315 N ASP A 21 1.197 12.884 -5.285 1.00 0.00 N ATOM 316 CA ASP A 21 1.379 14.241 -4.785 1.00 0.00 C ATOM 317 C ASP A 21 2.794 14.417 -4.243 1.00 0.00 C ATOM 318 O ASP A 21 3.296 15.537 -4.141 1.00 0.00 O ATOM 319 CB ASP A 21 0.374 14.525 -3.672 1.00 0.00 C ATOM 320 CG ASP A 21 -1.022 14.089 -4.105 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.473 14.556 -5.139 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.618 13.292 -3.396 1.00 0.00 O ATOM 0 H ASP A 21 0.519 12.325 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 21 1.219 14.939 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.664 13.995 -2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.374 15.589 -3.434 1.00 0.00 H new ATOM 327 N GLN A 22 3.434 13.303 -3.896 1.00 0.00 N ATOM 328 CA GLN A 22 4.793 13.348 -3.366 1.00 0.00 C ATOM 329 C GLN A 22 4.833 14.134 -2.059 1.00 0.00 C ATOM 330 O GLN A 22 5.767 14.890 -1.802 1.00 0.00 O ATOM 331 CB GLN A 22 5.735 14.002 -4.388 1.00 0.00 C ATOM 332 CG GLN A 22 7.184 13.614 -4.077 1.00 0.00 C ATOM 333 CD GLN A 22 8.125 14.269 -5.078 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.975 15.450 -5.390 1.00 0.00 O ATOM 335 NE2 GLN A 22 9.093 13.569 -5.602 1.00 0.00 N ATOM 0 H GLN A 22 3.037 12.366 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 22 5.120 12.326 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.471 13.683 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.624 15.086 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.443 13.925 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.295 12.530 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.214 12.590 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.729 14.000 -6.273 1.00 0.00 H new ATOM 344 N ASN A 23 3.809 13.952 -1.231 1.00 0.00 N ATOM 345 CA ASN A 23 3.739 14.650 0.051 1.00 0.00 C ATOM 346 C ASN A 23 4.180 13.731 1.183 1.00 0.00 C ATOM 347 O ASN A 23 4.190 14.129 2.346 1.00 0.00 O ATOM 348 CB ASN A 23 2.308 15.129 0.302 1.00 0.00 C ATOM 349 CG ASN A 23 1.342 13.954 0.230 1.00 0.00 C ATOM 350 OD1 ASN A 23 0.137 14.127 0.415 1.00 0.00 O ATOM 351 ND2 ASN A 23 1.800 12.761 -0.033 1.00 0.00 N ATOM 0 H ASN A 23 3.021 13.332 -1.421 1.00 0.00 H new ATOM 0 HA ASN A 23 4.408 15.510 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.242 15.605 1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.033 15.881 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.159 11.969 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.799 12.620 -0.186 1.00 0.00 H new ATOM 358 N GLY A 24 4.544 12.502 0.835 1.00 0.00 N ATOM 359 CA GLY A 24 4.988 11.534 1.832 1.00 0.00 C ATOM 360 C GLY A 24 3.805 10.975 2.613 1.00 0.00 C ATOM 361 O GLY A 24 3.976 10.401 3.688 1.00 0.00 O ATOM 0 H GLY A 24 4.541 12.153 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.522 10.720 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.690 12.008 2.518 1.00 0.00 H new ATOM 365 N TYR A 25 2.604 11.147 2.068 1.00 0.00 N ATOM 366 CA TYR A 25 1.393 10.655 2.723 1.00 0.00 C ATOM 367 C TYR A 25 0.400 10.130 1.693 1.00 0.00 C ATOM 368 O TYR A 25 -0.094 10.879 0.850 1.00 0.00 O ATOM 369 CB TYR A 25 0.745 11.787 3.535 1.00 0.00 C ATOM 370 CG TYR A 25 1.440 11.919 4.870 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.657 12.602 4.962 1.00 0.00 C ATOM 372 CD2 TYR A 25 0.868 11.354 6.013 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.301 12.721 6.197 1.00 0.00 C ATOM 374 CE2 TYR A 25 1.512 11.470 7.249 1.00 0.00 C ATOM 375 CZ TYR A 25 2.729 12.155 7.342 1.00 0.00 C ATOM 376 OH TYR A 25 3.364 12.271 8.561 1.00 0.00 O ATOM 0 H TYR A 25 2.442 11.621 1.179 1.00 0.00 H new ATOM 0 HA TYR A 25 1.668 9.838 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.811 12.726 2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.315 11.580 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.099 13.038 4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.072 10.827 5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.240 13.250 6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.070 11.031 8.131 1.00 0.00 H new ATOM 0 HH TYR A 25 2.832 11.823 9.251 1.00 0.00 H new ATOM 386 N ILE A 26 0.109 8.834 1.774 1.00 0.00 N ATOM 387 CA ILE A 26 -0.835 8.214 0.851 1.00 0.00 C ATOM 388 C ILE A 26 -2.258 8.416 1.345 1.00 0.00 C ATOM 389 O ILE A 26 -2.549 8.213 2.522 1.00 0.00 O ATOM 390 CB ILE A 26 -0.542 6.722 0.721 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.865 6.531 0.152 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.561 6.083 -0.225 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.266 5.060 0.265 1.00 0.00 C ATOM 0 H ILE A 26 0.510 8.198 2.463 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.726 8.684 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.609 6.250 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.893 6.847 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.576 7.155 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.352 5.017 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.566 6.222 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.492 6.554 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.269 4.924 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.254 4.759 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.561 4.447 -0.296 1.00 0.00 H new ATOM 405 N SER A 27 -3.145 8.823 0.440 1.00 0.00 N ATOM 406 CA SER A 27 -4.547 9.059 0.793 1.00 0.00 C ATOM 407 C SER A 27 -5.468 8.226 -0.090 1.00 0.00 C ATOM 408 O SER A 27 -5.118 7.884 -1.220 1.00 0.00 O ATOM 409 CB SER A 27 -4.882 10.541 0.628 1.00 0.00 C ATOM 410 OG SER A 27 -4.202 11.289 1.627 1.00 0.00 O ATOM 0 H SER A 27 -2.921 8.996 -0.540 1.00 0.00 H new ATOM 0 HA SER A 27 -4.696 8.766 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.587 10.884 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.958 10.694 0.712 1.00 0.00 H new ATOM 0 HG SER A 27 -4.413 12.240 1.524 1.00 0.00 H new ATOM 416 N ALA A 28 -6.645 7.904 0.433 1.00 0.00 N ATOM 417 CA ALA A 28 -7.613 7.105 -0.312 1.00 0.00 C ATOM 418 C ALA A 28 -7.670 7.550 -1.769 1.00 0.00 C ATOM 419 O ALA A 28 -7.835 6.729 -2.671 1.00 0.00 O ATOM 420 CB ALA A 28 -9.003 7.258 0.314 1.00 0.00 C ATOM 0 H ALA A 28 -6.952 8.182 1.365 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.300 6.062 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.722 6.660 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.975 6.918 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.302 8.306 0.285 1.00 0.00 H new ATOM 426 N SER A 29 -7.533 8.852 -1.992 1.00 0.00 N ATOM 427 CA SER A 29 -7.579 9.390 -3.349 1.00 0.00 C ATOM 428 C SER A 29 -6.494 8.764 -4.218 1.00 0.00 C ATOM 429 O SER A 29 -6.773 8.261 -5.309 1.00 0.00 O ATOM 430 CB SER A 29 -7.386 10.906 -3.309 1.00 0.00 C ATOM 431 OG SER A 29 -6.166 11.208 -2.643 1.00 0.00 O ATOM 0 H SER A 29 -7.391 9.549 -1.261 1.00 0.00 H new ATOM 0 HA SER A 29 -8.552 9.152 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.370 11.309 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.222 11.377 -2.792 1.00 0.00 H new ATOM 0 HG SER A 29 -6.039 12.179 -2.618 1.00 0.00 H new ATOM 437 N GLU A 30 -5.261 8.788 -3.729 1.00 0.00 N ATOM 438 CA GLU A 30 -4.148 8.216 -4.474 1.00 0.00 C ATOM 439 C GLU A 30 -4.291 6.703 -4.579 1.00 0.00 C ATOM 440 O GLU A 30 -4.050 6.120 -5.633 1.00 0.00 O ATOM 441 CB GLU A 30 -2.827 8.556 -3.781 1.00 0.00 C ATOM 442 CG GLU A 30 -2.543 10.052 -3.928 1.00 0.00 C ATOM 443 CD GLU A 30 -1.277 10.414 -3.165 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.091 9.888 -2.081 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.515 11.226 -3.662 1.00 0.00 O ATOM 0 H GLU A 30 -5.008 9.194 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.154 8.640 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.878 8.287 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.015 7.976 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.429 10.308 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.385 10.630 -3.548 1.00 0.00 H new ATOM 452 N LEU A 31 -4.688 6.075 -3.483 1.00 0.00 N ATOM 453 CA LEU A 31 -4.848 4.628 -3.468 1.00 0.00 C ATOM 454 C LEU A 31 -5.912 4.190 -4.469 1.00 0.00 C ATOM 455 O LEU A 31 -5.717 3.232 -5.219 1.00 0.00 O ATOM 456 CB LEU A 31 -5.247 4.168 -2.061 1.00 0.00 C ATOM 457 CG LEU A 31 -4.933 2.667 -1.896 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.482 2.486 -1.436 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.876 2.056 -0.854 1.00 0.00 C ATOM 0 H LEU A 31 -4.904 6.538 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.898 4.173 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.707 4.747 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.310 4.347 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.073 2.166 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.267 1.424 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.809 2.915 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.337 2.991 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.653 0.995 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.739 2.562 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.908 2.176 -1.183 1.00 0.00 H new ATOM 471 N ARG A 32 -7.033 4.895 -4.473 1.00 0.00 N ATOM 472 CA ARG A 32 -8.118 4.577 -5.384 1.00 0.00 C ATOM 473 C ARG A 32 -7.675 4.771 -6.831 1.00 0.00 C ATOM 474 O ARG A 32 -8.010 3.966 -7.699 1.00 0.00 O ATOM 475 CB ARG A 32 -9.325 5.476 -5.102 1.00 0.00 C ATOM 476 CG ARG A 32 -10.482 5.089 -6.029 1.00 0.00 C ATOM 477 CD ARG A 32 -11.640 6.065 -5.837 1.00 0.00 C ATOM 478 NE ARG A 32 -12.825 5.596 -6.545 1.00 0.00 N ATOM 479 CZ ARG A 32 -12.907 5.668 -7.869 1.00 0.00 C ATOM 480 NH1 ARG A 32 -11.917 6.163 -8.559 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.978 5.242 -8.479 1.00 0.00 N ATOM 0 H ARG A 32 -7.213 5.688 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.397 3.534 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.631 5.375 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.057 6.521 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.150 5.103 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.810 4.072 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.862 6.171 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.357 7.052 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.604 5.206 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.079 6.495 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.981 6.218 -9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.752 4.854 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.042 5.297 -9.496 1.00 0.00 H new ATOM 495 N HIS A 33 -6.937 5.851 -7.092 1.00 0.00 N ATOM 496 CA HIS A 33 -6.485 6.136 -8.439 1.00 0.00 C ATOM 497 C HIS A 33 -5.604 5.005 -8.953 1.00 0.00 C ATOM 498 O HIS A 33 -5.686 4.616 -10.118 1.00 0.00 O ATOM 499 CB HIS A 33 -5.718 7.485 -8.442 1.00 0.00 C ATOM 500 CG HIS A 33 -4.287 7.268 -8.845 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.241 7.395 -7.950 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.724 6.889 -10.031 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.112 7.089 -8.606 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.346 6.777 -9.883 1.00 0.00 N ATOM 0 H HIS A 33 -6.646 6.532 -6.391 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.344 6.215 -9.105 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.196 8.182 -9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.760 7.937 -7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.268 6.704 -10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.131 7.094 -8.155 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.664 6.514 -10.594 1.00 0.00 H new ATOM 512 N VAL A 34 -4.747 4.504 -8.079 1.00 0.00 N ATOM 513 CA VAL A 34 -3.835 3.434 -8.455 1.00 0.00 C ATOM 514 C VAL A 34 -4.609 2.153 -8.739 1.00 0.00 C ATOM 515 O VAL A 34 -4.322 1.440 -9.708 1.00 0.00 O ATOM 516 CB VAL A 34 -2.811 3.189 -7.334 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.034 1.897 -7.612 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.824 4.358 -7.263 1.00 0.00 C ATOM 0 H VAL A 34 -4.663 4.817 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.305 3.733 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.343 3.101 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.310 1.729 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.728 1.057 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.511 1.985 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.102 4.177 -6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.300 4.450 -8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.367 5.281 -7.058 1.00 0.00 H new ATOM 528 N MET A 35 -5.586 1.865 -7.892 1.00 0.00 N ATOM 529 CA MET A 35 -6.384 0.662 -8.055 1.00 0.00 C ATOM 530 C MET A 35 -7.166 0.710 -9.361 1.00 0.00 C ATOM 531 O MET A 35 -7.275 -0.292 -10.066 1.00 0.00 O ATOM 532 CB MET A 35 -7.352 0.524 -6.875 1.00 0.00 C ATOM 533 CG MET A 35 -6.577 0.094 -5.625 1.00 0.00 C ATOM 534 SD MET A 35 -5.997 -1.611 -5.821 1.00 0.00 S ATOM 535 CE MET A 35 -6.029 -2.068 -4.071 1.00 0.00 C ATOM 0 H MET A 35 -5.843 2.443 -7.092 1.00 0.00 H new ATOM 0 HA MET A 35 -5.717 -0.200 -8.083 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.858 1.472 -6.694 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.124 -0.210 -7.108 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.729 0.760 -5.464 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.215 0.172 -4.745 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.929 -3.149 -3.975 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.204 -1.580 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.974 -1.751 -3.629 1.00 0.00 H new ATOM 545 N ILE A 36 -7.710 1.881 -9.680 1.00 0.00 N ATOM 546 CA ILE A 36 -8.475 2.036 -10.909 1.00 0.00 C ATOM 547 C ILE A 36 -7.573 1.878 -12.126 1.00 0.00 C ATOM 548 O ILE A 36 -7.928 1.205 -13.091 1.00 0.00 O ATOM 549 CB ILE A 36 -9.151 3.414 -10.925 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.200 3.485 -9.799 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.835 3.638 -12.279 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.509 2.806 -10.238 1.00 0.00 C ATOM 0 H ILE A 36 -7.636 2.725 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.239 1.260 -10.948 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.399 4.187 -10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.814 2.999 -8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.393 4.526 -9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.314 4.617 -12.287 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.091 3.591 -13.074 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.587 2.865 -12.439 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.238 2.866 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.903 3.311 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.315 1.760 -10.475 1.00 0.00 H new ATOM 564 N ASN A 37 -6.405 2.503 -12.064 1.00 0.00 N ATOM 565 CA ASN A 37 -5.452 2.427 -13.163 1.00 0.00 C ATOM 566 C ASN A 37 -5.028 0.978 -13.379 1.00 0.00 C ATOM 567 O ASN A 37 -4.638 0.591 -14.481 1.00 0.00 O ATOM 568 CB ASN A 37 -4.225 3.291 -12.859 1.00 0.00 C ATOM 569 CG ASN A 37 -4.518 4.751 -13.188 1.00 0.00 C ATOM 570 OD1 ASN A 37 -5.620 5.082 -13.624 1.00 0.00 O ATOM 571 ND2 ASN A 37 -3.586 5.647 -13.015 1.00 0.00 N ATOM 0 H ASN A 37 -6.096 3.064 -11.270 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.927 2.800 -14.070 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.954 3.194 -11.808 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.372 2.943 -13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.770 6.624 -13.241 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.673 5.370 -12.653 1.00 0.00 H new ATOM 578 N LEU A 38 -5.108 0.181 -12.317 1.00 0.00 N ATOM 579 CA LEU A 38 -4.732 -1.226 -12.402 1.00 0.00 C ATOM 580 C LEU A 38 -5.859 -2.047 -13.017 1.00 0.00 C ATOM 581 O LEU A 38 -5.764 -3.270 -13.116 1.00 0.00 O ATOM 582 CB LEU A 38 -4.404 -1.762 -11.008 1.00 0.00 C ATOM 583 CG LEU A 38 -3.036 -1.229 -10.560 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.871 -1.456 -9.056 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.906 -1.955 -11.317 1.00 0.00 C ATOM 0 H LEU A 38 -5.427 0.482 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.852 -1.311 -13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.174 -1.457 -10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.395 -2.852 -11.019 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.980 -0.163 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.900 -1.078 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.660 -0.929 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.935 -2.522 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.941 -1.567 -10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.957 -3.024 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.020 -1.788 -12.388 1.00 0.00 H new ATOM 597 N GLY A 39 -6.920 -1.368 -13.432 1.00 0.00 N ATOM 598 CA GLY A 39 -8.056 -2.046 -14.042 1.00 0.00 C ATOM 599 C GLY A 39 -8.930 -2.705 -12.984 1.00 0.00 C ATOM 600 O GLY A 39 -9.641 -3.665 -13.269 1.00 0.00 O ATOM 0 H GLY A 39 -7.018 -0.355 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.647 -1.330 -14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.700 -2.799 -14.745 1.00 0.00 H new ATOM 604 N GLU A 40 -8.872 -2.180 -11.762 1.00 0.00 N ATOM 605 CA GLU A 40 -9.668 -2.721 -10.656 1.00 0.00 C ATOM 606 C GLU A 40 -10.653 -1.677 -10.150 1.00 0.00 C ATOM 607 O GLU A 40 -10.289 -0.527 -9.930 1.00 0.00 O ATOM 608 CB GLU A 40 -8.749 -3.155 -9.516 1.00 0.00 C ATOM 609 CG GLU A 40 -7.929 -4.370 -9.957 1.00 0.00 C ATOM 610 CD GLU A 40 -6.960 -4.770 -8.851 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.899 -4.064 -7.859 1.00 0.00 O ATOM 612 OE2 GLU A 40 -6.289 -5.775 -9.015 1.00 0.00 O ATOM 0 H GLU A 40 -8.286 -1.384 -11.510 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.225 -3.584 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.085 -2.336 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.339 -3.402 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.593 -5.203 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.378 -4.137 -10.868 1.00 0.00 H new ATOM 619 N LYS A 41 -11.905 -2.090 -9.970 1.00 0.00 N ATOM 620 CA LYS A 41 -12.944 -1.181 -9.485 1.00 0.00 C ATOM 621 C LYS A 41 -13.307 -1.518 -8.046 1.00 0.00 C ATOM 622 O LYS A 41 -14.090 -2.431 -7.795 1.00 0.00 O ATOM 623 CB LYS A 41 -14.188 -1.301 -10.365 1.00 0.00 C ATOM 624 CG LYS A 41 -13.861 -0.803 -11.774 1.00 0.00 C ATOM 625 CD LYS A 41 -15.103 -0.923 -12.658 1.00 0.00 C ATOM 626 CE LYS A 41 -14.803 -0.346 -14.042 1.00 0.00 C ATOM 627 NZ LYS A 41 -13.719 -1.139 -14.688 1.00 0.00 N ATOM 0 H LYS A 41 -12.225 -3.041 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.565 -0.160 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.523 -2.338 -10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.005 -0.717 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.527 0.234 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.043 -1.386 -12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.401 -1.968 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.938 -0.390 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.701 -0.368 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.502 0.698 -13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.720 -0.959 -15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.800 -0.861 -14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.879 -2.152 -14.515 1.00 0.00 H new ATOM 641 N LEU A 42 -12.723 -0.780 -7.103 1.00 0.00 N ATOM 642 CA LEU A 42 -12.982 -1.015 -5.680 1.00 0.00 C ATOM 643 C LEU A 42 -13.767 0.151 -5.090 1.00 0.00 C ATOM 644 O LEU A 42 -13.586 1.300 -5.492 1.00 0.00 O ATOM 645 CB LEU A 42 -11.659 -1.166 -4.931 1.00 0.00 C ATOM 646 CG LEU A 42 -10.725 -2.088 -5.724 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.410 -2.256 -4.963 1.00 0.00 C ATOM 648 CD2 LEU A 42 -11.387 -3.459 -5.917 1.00 0.00 C ATOM 0 H LEU A 42 -12.071 -0.019 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.566 -1.929 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.193 -0.190 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.836 -1.578 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.527 -1.646 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.745 -2.911 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.937 -1.282 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.609 -2.694 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.719 -4.110 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.591 -3.905 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.322 -3.338 -6.464 1.00 0.00 H new ATOM 660 N THR A 43 -14.644 -0.155 -4.140 1.00 0.00 N ATOM 661 CA THR A 43 -15.458 0.877 -3.509 1.00 0.00 C ATOM 662 C THR A 43 -14.661 1.599 -2.428 1.00 0.00 C ATOM 663 O THR A 43 -13.675 1.073 -1.911 1.00 0.00 O ATOM 664 CB THR A 43 -16.716 0.246 -2.891 1.00 0.00 C ATOM 665 OG1 THR A 43 -17.121 -0.864 -3.680 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.845 1.276 -2.840 1.00 0.00 C ATOM 0 H THR A 43 -14.809 -1.100 -3.793 1.00 0.00 H new ATOM 0 HA THR A 43 -15.752 1.600 -4.270 1.00 0.00 H new ATOM 0 HB THR A 43 -16.491 -0.086 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.922 -1.270 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.733 0.821 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.535 2.126 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.073 1.616 -3.850 1.00 0.00 H new ATOM 674 N ASP A 44 -15.097 2.805 -2.094 1.00 0.00 N ATOM 675 CA ASP A 44 -14.417 3.597 -1.077 1.00 0.00 C ATOM 676 C ASP A 44 -14.270 2.793 0.210 1.00 0.00 C ATOM 677 O ASP A 44 -13.252 2.885 0.897 1.00 0.00 O ATOM 678 CB ASP A 44 -15.206 4.876 -0.791 1.00 0.00 C ATOM 679 CG ASP A 44 -14.353 5.847 0.019 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.157 5.622 0.111 1.00 0.00 O ATOM 681 OD2 ASP A 44 -14.906 6.805 0.534 1.00 0.00 O ATOM 0 H ASP A 44 -15.913 3.255 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.427 3.859 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.511 5.342 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.117 4.636 -0.243 1.00 0.00 H new ATOM 686 N GLU A 45 -15.289 2.006 0.532 1.00 0.00 N ATOM 687 CA GLU A 45 -15.260 1.193 1.742 1.00 0.00 C ATOM 688 C GLU A 45 -13.987 0.354 1.788 1.00 0.00 C ATOM 689 O GLU A 45 -13.317 0.286 2.816 1.00 0.00 O ATOM 690 CB GLU A 45 -16.481 0.271 1.780 1.00 0.00 C ATOM 691 CG GLU A 45 -16.507 -0.494 3.105 1.00 0.00 C ATOM 692 CD GLU A 45 -17.756 -1.364 3.182 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.428 -1.491 2.172 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.020 -1.892 4.249 1.00 0.00 O ATOM 0 H GLU A 45 -16.140 1.913 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.279 1.857 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.394 0.856 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.447 -0.429 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.616 -1.115 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.491 0.207 3.939 1.00 0.00 H new ATOM 701 N GLU A 46 -13.658 -0.281 0.668 1.00 0.00 N ATOM 702 CA GLU A 46 -12.462 -1.109 0.601 1.00 0.00 C ATOM 703 C GLU A 46 -11.208 -0.264 0.840 1.00 0.00 C ATOM 704 O GLU A 46 -10.294 -0.668 1.566 1.00 0.00 O ATOM 705 CB GLU A 46 -12.370 -1.793 -0.763 1.00 0.00 C ATOM 706 CG GLU A 46 -13.527 -2.785 -0.913 1.00 0.00 C ATOM 707 CD GLU A 46 -13.336 -3.619 -2.172 1.00 0.00 C ATOM 708 OE1 GLU A 46 -12.251 -3.575 -2.724 1.00 0.00 O ATOM 709 OE2 GLU A 46 -14.276 -4.290 -2.566 1.00 0.00 O ATOM 0 H GLU A 46 -14.197 -0.239 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.527 -1.869 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.409 -1.049 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.416 -2.312 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.575 -3.435 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.474 -2.247 -0.963 1.00 0.00 H new ATOM 716 N VAL A 47 -11.178 0.918 0.232 1.00 0.00 N ATOM 717 CA VAL A 47 -10.042 1.816 0.392 1.00 0.00 C ATOM 718 C VAL A 47 -9.937 2.298 1.838 1.00 0.00 C ATOM 719 O VAL A 47 -8.855 2.297 2.434 1.00 0.00 O ATOM 720 CB VAL A 47 -10.194 3.015 -0.549 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.106 4.046 -0.247 1.00 0.00 C ATOM 722 CG2 VAL A 47 -10.057 2.548 -2.000 1.00 0.00 C ATOM 0 H VAL A 47 -11.921 1.273 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.130 1.274 0.142 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.175 3.466 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.216 4.898 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.200 4.382 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.125 3.593 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.165 3.402 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.076 2.095 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.832 1.814 -2.221 1.00 0.00 H new ATOM 732 N GLU A 48 -11.067 2.710 2.399 1.00 0.00 N ATOM 733 CA GLU A 48 -11.090 3.190 3.771 1.00 0.00 C ATOM 734 C GLU A 48 -10.636 2.090 4.722 1.00 0.00 C ATOM 735 O GLU A 48 -9.831 2.326 5.618 1.00 0.00 O ATOM 736 CB GLU A 48 -12.502 3.646 4.145 1.00 0.00 C ATOM 737 CG GLU A 48 -12.859 4.907 3.358 1.00 0.00 C ATOM 738 CD GLU A 48 -14.294 5.322 3.664 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.942 4.625 4.428 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.724 6.330 3.129 1.00 0.00 O ATOM 0 H GLU A 48 -11.972 2.721 1.928 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.407 4.036 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.220 2.855 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.559 3.845 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.175 5.714 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.744 4.724 2.290 1.00 0.00 H new ATOM 747 N GLN A 49 -11.149 0.881 4.509 1.00 0.00 N ATOM 748 CA GLN A 49 -10.780 -0.251 5.349 1.00 0.00 C ATOM 749 C GLN A 49 -9.273 -0.472 5.308 1.00 0.00 C ATOM 750 O GLN A 49 -8.658 -0.792 6.323 1.00 0.00 O ATOM 751 CB GLN A 49 -11.506 -1.513 4.872 1.00 0.00 C ATOM 752 CG GLN A 49 -12.979 -1.450 5.286 1.00 0.00 C ATOM 753 CD GLN A 49 -13.102 -1.632 6.794 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.398 -2.456 7.379 1.00 0.00 O ATOM 755 NE2 GLN A 49 -13.959 -0.911 7.462 1.00 0.00 N ATOM 0 H GLN A 49 -11.815 0.663 3.768 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.074 -0.036 6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.426 -1.602 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.036 -2.398 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.408 -0.493 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.544 -2.226 4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.541 -0.229 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.047 -1.029 8.471 1.00 0.00 H new ATOM 764 N MET A 50 -8.679 -0.291 4.136 1.00 0.00 N ATOM 765 CA MET A 50 -7.235 -0.457 3.992 1.00 0.00 C ATOM 766 C MET A 50 -6.483 0.581 4.821 1.00 0.00 C ATOM 767 O MET A 50 -5.475 0.272 5.464 1.00 0.00 O ATOM 768 CB MET A 50 -6.854 -0.306 2.512 1.00 0.00 C ATOM 769 CG MET A 50 -7.092 -1.632 1.772 1.00 0.00 C ATOM 770 SD MET A 50 -5.556 -2.579 1.787 1.00 0.00 S ATOM 771 CE MET A 50 -4.790 -1.799 0.350 1.00 0.00 C ATOM 0 H MET A 50 -9.167 -0.032 3.278 1.00 0.00 H new ATOM 0 HA MET A 50 -6.959 -1.449 4.350 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.446 0.487 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.808 -0.014 2.425 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.890 -2.197 2.254 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.410 -1.442 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.938 -2.396 0.023 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.518 -1.732 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.451 -0.798 0.617 1.00 0.00 H new ATOM 781 N ILE A 51 -6.985 1.812 4.808 1.00 0.00 N ATOM 782 CA ILE A 51 -6.352 2.883 5.570 1.00 0.00 C ATOM 783 C ILE A 51 -6.463 2.618 7.065 1.00 0.00 C ATOM 784 O ILE A 51 -5.509 2.824 7.808 1.00 0.00 O ATOM 785 CB ILE A 51 -7.001 4.225 5.233 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.663 4.598 3.789 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.467 5.311 6.178 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.519 5.785 3.353 1.00 0.00 C ATOM 0 H ILE A 51 -7.816 2.090 4.286 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.297 2.917 5.299 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.082 4.145 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.606 4.849 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.841 3.747 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.932 6.266 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.703 5.045 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.386 5.394 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.277 6.050 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.573 5.517 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.318 6.637 4.003 1.00 0.00 H new ATOM 800 N LYS A 52 -7.635 2.179 7.505 1.00 0.00 N ATOM 801 CA LYS A 52 -7.856 1.909 8.920 1.00 0.00 C ATOM 802 C LYS A 52 -6.909 0.825 9.412 1.00 0.00 C ATOM 803 O LYS A 52 -6.310 0.947 10.483 1.00 0.00 O ATOM 804 CB LYS A 52 -9.300 1.456 9.146 1.00 0.00 C ATOM 805 CG LYS A 52 -10.247 2.615 8.864 1.00 0.00 C ATOM 806 CD LYS A 52 -11.689 2.192 9.155 1.00 0.00 C ATOM 807 CE LYS A 52 -12.623 3.396 8.994 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.564 3.888 7.590 1.00 0.00 N ATOM 0 H LYS A 52 -8.443 2.003 6.907 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.667 2.827 9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.534 0.614 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.427 1.110 10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.979 3.473 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.153 2.928 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.988 1.394 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.764 1.794 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.645 3.114 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.331 4.190 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.519 4.154 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.939 4.718 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.193 3.137 6.974 1.00 0.00 H new ATOM 822 N GLU A 53 -6.779 -0.237 8.628 1.00 0.00 N ATOM 823 CA GLU A 53 -5.900 -1.338 9.003 1.00 0.00 C ATOM 824 C GLU A 53 -4.458 -0.864 9.113 1.00 0.00 C ATOM 825 O GLU A 53 -3.768 -1.166 10.087 1.00 0.00 O ATOM 826 CB GLU A 53 -5.988 -2.455 7.961 1.00 0.00 C ATOM 827 CG GLU A 53 -7.369 -3.105 8.019 1.00 0.00 C ATOM 828 CD GLU A 53 -7.530 -3.876 9.326 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.519 -4.222 9.912 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.661 -4.106 9.719 1.00 0.00 O ATOM 0 H GLU A 53 -7.264 -0.360 7.739 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.222 -1.715 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.807 -2.051 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.216 -3.201 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.143 -2.341 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.499 -3.779 7.172 1.00 0.00 H new ATOM 837 N ALA A 54 -4.005 -0.126 8.109 1.00 0.00 N ATOM 838 CA ALA A 54 -2.635 0.379 8.106 1.00 0.00 C ATOM 839 C ALA A 54 -2.480 1.560 9.060 1.00 0.00 C ATOM 840 O ALA A 54 -1.508 1.642 9.811 1.00 0.00 O ATOM 841 CB ALA A 54 -2.248 0.818 6.693 1.00 0.00 C ATOM 0 H ALA A 54 -4.558 0.136 7.293 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.979 -0.425 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.225 1.194 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.320 -0.033 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.923 1.606 6.359 1.00 0.00 H new ATOM 847 N ASP A 55 -3.440 2.470 9.016 1.00 0.00 N ATOM 848 CA ASP A 55 -3.401 3.655 9.867 1.00 0.00 C ATOM 849 C ASP A 55 -3.626 3.280 11.325 1.00 0.00 C ATOM 850 O ASP A 55 -4.669 2.736 11.680 1.00 0.00 O ATOM 851 CB ASP A 55 -4.478 4.649 9.432 1.00 0.00 C ATOM 852 CG ASP A 55 -4.303 5.967 10.178 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.548 5.984 11.137 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.924 6.936 9.780 1.00 0.00 O ATOM 0 H ASP A 55 -4.254 2.414 8.404 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.417 4.112 9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.415 4.819 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.467 4.237 9.632 1.00 0.00 H new ATOM 859 N LEU A 56 -2.637 3.574 12.164 1.00 0.00 N ATOM 860 CA LEU A 56 -2.734 3.269 13.591 1.00 0.00 C ATOM 861 C LEU A 56 -3.084 4.519 14.380 1.00 0.00 C ATOM 862 O LEU A 56 -3.379 4.447 15.570 1.00 0.00 O ATOM 863 CB LEU A 56 -1.406 2.703 14.096 1.00 0.00 C ATOM 864 CG LEU A 56 -1.051 1.442 13.304 1.00 0.00 C ATOM 865 CD1 LEU A 56 0.312 0.918 13.762 1.00 0.00 C ATOM 866 CD2 LEU A 56 -2.122 0.358 13.533 1.00 0.00 C ATOM 0 H LEU A 56 -1.764 4.020 11.884 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.522 2.529 13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.617 3.447 13.987 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.479 2.469 15.158 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.011 1.686 12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.565 0.020 13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.072 1.681 13.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.272 0.680 14.825 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.862 -0.536 12.966 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.171 0.113 14.594 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.092 0.729 13.201 1.00 0.00 H new ATOM 878 N ASP A 57 -3.057 5.669 13.705 1.00 0.00 N ATOM 879 CA ASP A 57 -3.381 6.943 14.350 1.00 0.00 C ATOM 880 C ASP A 57 -4.655 7.536 13.759 1.00 0.00 C ATOM 881 O ASP A 57 -5.081 8.623 14.148 1.00 0.00 O ATOM 882 CB ASP A 57 -2.221 7.921 14.170 1.00 0.00 C ATOM 883 CG ASP A 57 -1.776 7.948 12.712 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.636 8.035 11.849 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.582 7.885 12.476 1.00 0.00 O ATOM 0 H ASP A 57 -2.815 5.745 12.717 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.544 6.764 15.413 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.526 8.920 14.483 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.387 7.628 14.807 1.00 0.00 H new ATOM 890 N GLY A 58 -5.260 6.815 12.820 1.00 0.00 N ATOM 891 CA GLY A 58 -6.488 7.282 12.188 1.00 0.00 C ATOM 892 C GLY A 58 -6.371 8.749 11.791 1.00 0.00 C ATOM 893 O GLY A 58 -7.186 9.575 12.196 1.00 0.00 O ATOM 0 H GLY A 58 -4.923 5.913 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.700 6.678 11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.326 7.152 12.872 1.00 0.00 H new ATOM 897 N ASP A 59 -5.352 9.068 10.996 1.00 0.00 N ATOM 898 CA ASP A 59 -5.136 10.443 10.547 1.00 0.00 C ATOM 899 C ASP A 59 -5.675 10.634 9.135 1.00 0.00 C ATOM 900 O ASP A 59 -5.449 11.670 8.510 1.00 0.00 O ATOM 901 CB ASP A 59 -3.642 10.771 10.579 1.00 0.00 C ATOM 902 CG ASP A 59 -2.860 9.722 9.801 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.463 8.741 9.404 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.669 9.912 9.620 1.00 0.00 O ATOM 0 H ASP A 59 -4.666 8.397 10.650 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.669 11.116 11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.469 11.758 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.291 10.806 11.610 1.00 0.00 H new ATOM 909 N GLY A 60 -6.389 9.631 8.636 1.00 0.00 N ATOM 910 CA GLY A 60 -6.957 9.703 7.295 1.00 0.00 C ATOM 911 C GLY A 60 -5.870 9.582 6.239 1.00 0.00 C ATOM 912 O GLY A 60 -6.149 9.626 5.041 1.00 0.00 O ATOM 0 H GLY A 60 -6.587 8.764 9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.689 8.906 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.487 10.647 7.170 1.00 0.00 H new ATOM 916 N GLN A 61 -4.627 9.425 6.687 1.00 0.00 N ATOM 917 CA GLN A 61 -3.502 9.302 5.763 1.00 0.00 C ATOM 918 C GLN A 61 -2.529 8.239 6.253 1.00 0.00 C ATOM 919 O GLN A 61 -2.353 8.046 7.458 1.00 0.00 O ATOM 920 CB GLN A 61 -2.775 10.640 5.655 1.00 0.00 C ATOM 921 CG GLN A 61 -3.781 11.749 5.366 1.00 0.00 C ATOM 922 CD GLN A 61 -3.063 13.084 5.191 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.110 13.180 4.417 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.466 14.125 5.867 1.00 0.00 N ATOM 0 H GLN A 61 -4.374 9.380 7.674 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.885 9.012 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.242 10.851 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.029 10.597 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.345 11.511 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.500 11.819 6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.256 14.043 6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.991 15.021 5.755 1.00 0.00 H new ATOM 933 N VAL A 62 -1.888 7.547 5.314 1.00 0.00 N ATOM 934 CA VAL A 62 -0.927 6.504 5.663 1.00 0.00 C ATOM 935 C VAL A 62 0.495 7.002 5.434 1.00 0.00 C ATOM 936 O VAL A 62 0.840 7.446 4.338 1.00 0.00 O ATOM 937 CB VAL A 62 -1.180 5.257 4.806 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.533 4.040 5.468 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.686 5.028 4.674 1.00 0.00 C ATOM 0 H VAL A 62 -2.015 7.688 4.312 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.049 6.251 6.716 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.746 5.402 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.714 3.155 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.541 4.204 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.964 3.892 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.867 4.142 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.120 4.884 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.146 5.895 4.199 1.00 0.00 H new ATOM 949 N ASN A 63 1.315 6.925 6.478 1.00 0.00 N ATOM 950 CA ASN A 63 2.701 7.373 6.388 1.00 0.00 C ATOM 951 C ASN A 63 3.584 6.265 5.826 1.00 0.00 C ATOM 952 O ASN A 63 3.186 5.100 5.779 1.00 0.00 O ATOM 953 CB ASN A 63 3.204 7.788 7.772 1.00 0.00 C ATOM 954 CG ASN A 63 2.940 6.679 8.779 1.00 0.00 C ATOM 955 OD1 ASN A 63 3.619 5.657 8.760 1.00 0.00 O ATOM 956 ND2 ASN A 63 1.990 6.820 9.664 1.00 0.00 N ATOM 0 H ASN A 63 1.046 6.559 7.391 1.00 0.00 H new ATOM 0 HA ASN A 63 2.748 8.230 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.271 8.005 7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.705 8.704 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.811 6.079 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.427 7.671 9.677 1.00 0.00 H new ATOM 963 N TYR A 64 4.784 6.635 5.398 1.00 0.00 N ATOM 964 CA TYR A 64 5.714 5.667 4.830 1.00 0.00 C ATOM 965 C TYR A 64 5.966 4.527 5.808 1.00 0.00 C ATOM 966 O TYR A 64 6.010 3.361 5.415 1.00 0.00 O ATOM 967 CB TYR A 64 7.041 6.355 4.494 1.00 0.00 C ATOM 968 CG TYR A 64 8.035 5.325 4.001 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.881 4.755 2.733 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.107 4.938 4.816 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.797 3.800 2.278 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.023 3.982 4.361 1.00 0.00 C ATOM 973 CZ TYR A 64 9.867 3.414 3.092 1.00 0.00 C ATOM 974 OH TYR A 64 10.770 2.472 2.644 1.00 0.00 O ATOM 0 H TYR A 64 5.135 7.592 5.433 1.00 0.00 H new ATOM 0 HA TYR A 64 5.273 5.259 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.884 7.118 3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.434 6.861 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.054 5.052 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.227 5.377 5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.678 3.361 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.849 3.683 4.989 1.00 0.00 H new ATOM 0 HH TYR A 64 11.452 2.319 3.331 1.00 0.00 H new ATOM 984 N GLU A 65 6.141 4.865 7.079 1.00 0.00 N ATOM 985 CA GLU A 65 6.406 3.858 8.099 1.00 0.00 C ATOM 986 C GLU A 65 5.279 2.829 8.150 1.00 0.00 C ATOM 987 O GLU A 65 5.524 1.623 8.214 1.00 0.00 O ATOM 988 CB GLU A 65 6.542 4.530 9.468 1.00 0.00 C ATOM 989 CG GLU A 65 7.538 5.689 9.371 1.00 0.00 C ATOM 990 CD GLU A 65 8.925 5.158 9.026 1.00 0.00 C ATOM 991 OE1 GLU A 65 9.153 3.978 9.231 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.736 5.940 8.559 1.00 0.00 O ATOM 0 H GLU A 65 6.105 5.823 7.427 1.00 0.00 H new ATOM 0 HA GLU A 65 7.335 3.348 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.572 4.897 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.881 3.806 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.211 6.397 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.572 6.230 10.316 1.00 0.00 H new ATOM 999 N GLU A 66 4.045 3.315 8.111 1.00 0.00 N ATOM 1000 CA GLU A 66 2.885 2.431 8.149 1.00 0.00 C ATOM 1001 C GLU A 66 2.849 1.539 6.916 1.00 0.00 C ATOM 1002 O GLU A 66 2.381 0.404 6.969 1.00 0.00 O ATOM 1003 CB GLU A 66 1.593 3.259 8.231 1.00 0.00 C ATOM 1004 CG GLU A 66 1.380 3.750 9.667 1.00 0.00 C ATOM 1005 CD GLU A 66 0.187 4.697 9.721 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.421 4.919 8.685 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -0.102 5.192 10.798 1.00 0.00 O ATOM 0 H GLU A 66 3.821 4.309 8.054 1.00 0.00 H new ATOM 0 HA GLU A 66 2.963 1.799 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.652 4.109 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.743 2.655 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.211 2.901 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.276 4.259 10.023 1.00 0.00 H new ATOM 1014 N PHE A 67 3.343 2.057 5.805 1.00 0.00 N ATOM 1015 CA PHE A 67 3.362 1.292 4.566 1.00 0.00 C ATOM 1016 C PHE A 67 4.397 0.171 4.631 1.00 0.00 C ATOM 1017 O PHE A 67 4.109 -0.973 4.279 1.00 0.00 O ATOM 1018 CB PHE A 67 3.689 2.211 3.391 1.00 0.00 C ATOM 1019 CG PHE A 67 3.724 1.405 2.112 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.526 1.011 1.501 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.952 1.052 1.539 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.558 0.266 0.316 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.981 0.306 0.353 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.785 -0.087 -0.258 1.00 0.00 C ATOM 0 H PHE A 67 3.734 2.996 5.733 1.00 0.00 H new ATOM 0 HA PHE A 67 2.375 0.851 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.942 3.001 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.651 2.697 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.579 1.282 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.875 1.354 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.635 -0.037 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.928 0.034 -0.090 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.809 -0.662 -1.172 1.00 0.00 H new ATOM 1034 N VAL A 68 5.605 0.508 5.072 1.00 0.00 N ATOM 1035 CA VAL A 68 6.676 -0.477 5.151 1.00 0.00 C ATOM 1036 C VAL A 68 6.308 -1.610 6.102 1.00 0.00 C ATOM 1037 O VAL A 68 6.380 -2.782 5.737 1.00 0.00 O ATOM 1038 CB VAL A 68 7.960 0.197 5.649 1.00 0.00 C ATOM 1039 CG1 VAL A 68 9.044 -0.859 5.878 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.449 1.211 4.610 1.00 0.00 C ATOM 0 H VAL A 68 5.865 1.446 5.377 1.00 0.00 H new ATOM 0 HA VAL A 68 6.831 -0.892 4.155 1.00 0.00 H new ATOM 0 HB VAL A 68 7.751 0.711 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.954 -0.375 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.701 -1.577 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.249 -1.378 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.362 1.688 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.652 0.699 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.682 1.969 4.452 1.00 0.00 H new ATOM 1050 N LYS A 69 5.915 -1.255 7.318 1.00 0.00 N ATOM 1051 CA LYS A 69 5.553 -2.265 8.307 1.00 0.00 C ATOM 1052 C LYS A 69 4.395 -3.122 7.801 1.00 0.00 C ATOM 1053 O LYS A 69 4.410 -4.347 7.935 1.00 0.00 O ATOM 1054 CB LYS A 69 5.170 -1.581 9.626 1.00 0.00 C ATOM 1055 CG LYS A 69 3.748 -1.023 9.534 1.00 0.00 C ATOM 1056 CD LYS A 69 3.461 -0.123 10.728 1.00 0.00 C ATOM 1057 CE LYS A 69 3.608 -0.927 12.019 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.911 -0.215 13.122 1.00 0.00 N ATOM 0 H LYS A 69 5.839 -0.291 7.642 1.00 0.00 H new ATOM 0 HA LYS A 69 6.411 -2.916 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.237 -2.294 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.872 -0.776 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.629 -0.461 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.029 -1.842 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.149 0.723 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.453 0.286 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.186 -1.924 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.663 -1.056 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.607 0.091 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.417 0.617 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.221 -0.854 13.566 1.00 0.00 H new ATOM 1072 N MET A 70 3.393 -2.465 7.230 1.00 0.00 N ATOM 1073 CA MET A 70 2.231 -3.175 6.721 1.00 0.00 C ATOM 1074 C MET A 70 2.633 -4.131 5.608 1.00 0.00 C ATOM 1075 O MET A 70 2.124 -5.245 5.522 1.00 0.00 O ATOM 1076 CB MET A 70 1.199 -2.171 6.192 1.00 0.00 C ATOM 1077 CG MET A 70 0.399 -1.574 7.353 1.00 0.00 C ATOM 1078 SD MET A 70 -0.620 -2.861 8.123 1.00 0.00 S ATOM 1079 CE MET A 70 -1.685 -3.205 6.701 1.00 0.00 C ATOM 0 H MET A 70 3.363 -1.453 7.109 1.00 0.00 H new ATOM 0 HA MET A 70 1.793 -3.752 7.535 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.703 -1.377 5.641 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.525 -2.666 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.077 -1.144 8.091 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.234 -0.764 6.992 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.702 -3.392 7.045 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.681 -2.348 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.314 -4.083 6.172 1.00 0.00 H new ATOM 1089 N MET A 71 3.547 -3.686 4.762 1.00 0.00 N ATOM 1090 CA MET A 71 4.015 -4.511 3.659 1.00 0.00 C ATOM 1091 C MET A 71 4.860 -5.674 4.170 1.00 0.00 C ATOM 1092 O MET A 71 4.833 -6.769 3.609 1.00 0.00 O ATOM 1093 CB MET A 71 4.830 -3.661 2.685 1.00 0.00 C ATOM 1094 CG MET A 71 3.888 -2.780 1.858 1.00 0.00 C ATOM 1095 SD MET A 71 2.905 -3.806 0.734 1.00 0.00 S ATOM 1096 CE MET A 71 4.131 -3.940 -0.592 1.00 0.00 C ATOM 0 H MET A 71 3.978 -2.763 4.816 1.00 0.00 H new ATOM 0 HA MET A 71 3.147 -4.920 3.142 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.538 -3.039 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.414 -4.304 2.027 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.229 -2.217 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.465 -2.052 1.288 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.664 -4.372 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.517 -2.949 -0.832 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.951 -4.580 -0.266 1.00 0.00 H new ATOM 1106 N MET A 72 5.614 -5.424 5.234 1.00 0.00 N ATOM 1107 CA MET A 72 6.466 -6.454 5.816 1.00 0.00 C ATOM 1108 C MET A 72 5.619 -7.566 6.428 1.00 0.00 C ATOM 1109 O MET A 72 5.959 -8.746 6.328 1.00 0.00 O ATOM 1110 CB MET A 72 7.374 -5.841 6.886 1.00 0.00 C ATOM 1111 CG MET A 72 8.504 -5.061 6.209 1.00 0.00 C ATOM 1112 SD MET A 72 9.488 -4.211 7.467 1.00 0.00 S ATOM 1113 CE MET A 72 10.794 -3.615 6.367 1.00 0.00 C ATOM 0 H MET A 72 5.653 -4.522 5.709 1.00 0.00 H new ATOM 0 HA MET A 72 7.083 -6.881 5.025 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.797 -5.179 7.532 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.788 -6.625 7.520 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.135 -5.739 5.635 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.091 -4.338 5.506 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.245 -2.718 6.791 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.556 -4.387 6.255 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.369 -3.381 5.391 1.00 0.00 H new ATOM 1123 N THR A 73 4.512 -7.181 7.063 1.00 0.00 N ATOM 1124 CA THR A 73 3.624 -8.158 7.683 1.00 0.00 C ATOM 1125 C THR A 73 2.885 -8.951 6.613 1.00 0.00 C ATOM 1126 O THR A 73 3.033 -10.168 6.513 1.00 0.00 O ATOM 1127 CB THR A 73 2.619 -7.445 8.587 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.306 -6.515 9.414 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.900 -8.474 9.461 1.00 0.00 C ATOM 0 H THR A 73 4.213 -6.211 7.160 1.00 0.00 H new ATOM 0 HA THR A 73 4.221 -8.846 8.282 1.00 0.00 H new ATOM 0 HB THR A 73 1.888 -6.916 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.543 -5.723 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.183 -7.966 10.106 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.375 -9.187 8.826 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.629 -9.003 10.075 1.00 0.00 H new ATOM 1137 N VAL A 74 2.085 -8.251 5.811 1.00 0.00 N ATOM 1138 CA VAL A 74 1.325 -8.898 4.748 1.00 0.00 C ATOM 1139 C VAL A 74 2.181 -9.944 4.042 1.00 0.00 C ATOM 1140 O VAL A 74 1.662 -10.885 3.443 1.00 0.00 O ATOM 1141 CB VAL A 74 0.856 -7.853 3.735 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.103 -8.546 2.592 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -0.073 -6.843 4.429 1.00 0.00 C ATOM 0 H VAL A 74 1.948 -7.242 5.877 1.00 0.00 H new ATOM 0 HA VAL A 74 0.459 -9.390 5.190 1.00 0.00 H new ATOM 0 HB VAL A 74 1.721 -7.328 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.231 -7.800 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.765 -9.257 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.762 -9.074 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.406 -6.099 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.938 -7.365 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.466 -6.348 5.237 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.005 -7.161 6.139 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.431 -7.099 5.852 1.00 0.00 C ATOM 1207 C GLY A 80 -6.753 -7.820 4.549 1.00 0.00 C ATOM 1208 O GLY A 80 -5.972 -8.647 4.079 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.991 -7.551 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.748 -6.058 5.785 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.905 -7.500 3.970 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.322 -8.124 2.716 1.00 0.00 C ATOM 1214 C ASN A 81 -7.859 -7.293 1.520 1.00 0.00 C ATOM 1215 O ASN A 81 -7.574 -7.830 0.445 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.847 -8.255 2.686 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.495 -6.884 2.848 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.797 -5.880 2.998 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.795 -6.778 2.824 1.00 0.00 N ATOM 0 H ASN A 81 -8.564 -6.817 4.344 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.867 -9.112 2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.162 -8.706 1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.178 -8.919 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.234 -5.863 2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.372 -7.610 2.700 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.760 -5.981 1.713 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.320 -5.104 0.638 1.00 0.00 C ATOM 1228 C GLY A 82 -5.815 -5.220 0.402 1.00 0.00 C ATOM 1229 O GLY A 82 -5.360 -5.358 -0.738 1.00 0.00 O ATOM 0 H GLY A 82 -7.975 -5.509 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.854 -5.354 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.573 -4.072 0.882 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.047 -5.152 1.485 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.599 -5.235 1.385 1.00 0.00 C ATOM 1235 C TRP A 83 -3.189 -6.584 0.811 1.00 0.00 C ATOM 1236 O TRP A 83 -2.314 -6.662 -0.051 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.971 -5.039 2.767 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.211 -3.642 3.237 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -4.071 -3.293 4.223 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.601 -2.404 2.771 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.030 -1.922 4.389 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.140 -1.326 3.518 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.646 -2.113 1.782 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.741 -0.007 3.291 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.244 -0.787 1.549 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.790 0.262 2.303 1.00 0.00 C ATOM 0 H TRP A 83 -5.403 -5.040 2.434 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.244 -4.449 0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.398 -5.749 3.475 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.900 -5.239 2.722 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.689 -3.975 4.788 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.590 -1.412 5.072 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.218 -2.914 1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.164 0.798 3.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.511 -0.574 0.785 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.475 1.279 2.120 1.00 0.00 H new ATOM 1257 N SER A 84 -3.834 -7.641 1.292 1.00 0.00 N ATOM 1258 CA SER A 84 -3.542 -8.985 0.812 1.00 0.00 C ATOM 1259 C SER A 84 -3.862 -9.100 -0.674 1.00 0.00 C ATOM 1260 O SER A 84 -3.152 -9.774 -1.423 1.00 0.00 O ATOM 1261 CB SER A 84 -4.358 -10.011 1.596 1.00 0.00 C ATOM 1262 OG SER A 84 -4.159 -9.807 2.988 1.00 0.00 O ATOM 0 H SER A 84 -4.558 -7.593 2.009 1.00 0.00 H new ATOM 0 HA SER A 84 -2.480 -9.182 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.416 -9.915 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.056 -11.021 1.318 1.00 0.00 H new ATOM 0 HG SER A 84 -5.026 -9.793 3.444 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.929 -8.425 -1.101 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.317 -8.457 -2.506 1.00 0.00 C ATOM 1270 C ARG A 85 -4.250 -7.817 -3.381 1.00 0.00 C ATOM 1271 O ARG A 85 -3.938 -8.320 -4.463 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.648 -7.722 -2.690 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.803 -8.605 -2.183 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.315 -9.487 -3.322 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.985 -8.670 -4.325 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.546 -9.220 -5.395 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.500 -10.513 -5.561 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.143 -8.469 -6.278 1.00 0.00 N ATOM 0 H ARG A 85 -5.530 -7.858 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.428 -9.498 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.632 -6.779 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.798 -7.479 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.462 -9.226 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.611 -7.980 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.484 -10.026 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.005 -10.235 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.024 -7.658 -4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.034 -11.100 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.931 -10.937 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.179 -7.458 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.574 -8.892 -7.100 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.697 -6.709 -2.913 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.665 -6.016 -3.673 1.00 0.00 C ATOM 1294 C LEU A 86 -1.353 -6.799 -3.643 1.00 0.00 C ATOM 1295 O LEU A 86 -0.668 -6.925 -4.655 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.445 -4.619 -3.092 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.503 -3.811 -4.005 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.290 -3.223 -5.184 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.860 -2.678 -3.205 1.00 0.00 C ATOM 0 H LEU A 86 -3.940 -6.274 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.996 -5.933 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.400 -4.103 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.019 -4.695 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.727 -4.473 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.616 -2.654 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.740 -4.031 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.074 -2.566 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.194 -2.108 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.638 -2.021 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.289 -3.096 -2.376 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.015 -7.315 -2.472 1.00 0.00 N ATOM 1312 CA ARG A 87 0.219 -8.078 -2.313 1.00 0.00 C ATOM 1313 C ARG A 87 0.096 -9.440 -2.978 1.00 0.00 C ATOM 1314 O ARG A 87 1.095 -10.117 -3.218 1.00 0.00 O ATOM 1315 CB ARG A 87 0.551 -8.241 -0.811 1.00 0.00 C ATOM 1316 CG ARG A 87 1.714 -7.315 -0.427 1.00 0.00 C ATOM 1317 CD ARG A 87 3.038 -7.947 -0.890 1.00 0.00 C ATOM 1318 NE ARG A 87 4.043 -6.914 -1.094 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.120 -7.147 -1.836 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.288 -8.315 -2.396 1.00 0.00 N ATOM 1321 NH2 ARG A 87 6.009 -6.206 -2.016 1.00 0.00 N ATOM 0 H ARG A 87 -1.571 -7.222 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 87 1.030 -7.533 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.326 -8.006 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.815 -9.277 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.583 -6.336 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.729 -7.159 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.388 -8.663 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.881 -8.500 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 87 3.919 -5.999 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.592 -9.049 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.115 -8.493 -2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.877 -5.290 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.835 -6.387 -2.586 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.134 -9.835 -3.278 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.375 -11.119 -3.924 1.00 0.00 C ATOM 1337 C ARG A 88 -1.322 -10.972 -5.442 1.00 0.00 C ATOM 1338 O ARG A 88 -0.735 -11.803 -6.135 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.735 -11.665 -3.499 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.002 -12.984 -4.222 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.247 -13.645 -3.632 1.00 0.00 C ATOM 1342 NE ARG A 88 -3.993 -14.057 -2.256 1.00 0.00 N ATOM 1343 CZ ARG A 88 -4.948 -14.614 -1.518 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -6.137 -14.800 -2.023 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -4.698 -14.974 -0.290 1.00 0.00 N ATOM 0 H ARG A 88 -1.975 -9.290 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.596 -11.817 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.756 -11.818 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.518 -10.944 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.143 -12.805 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.143 -13.647 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.086 -12.950 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.528 -14.510 -4.233 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.067 -13.915 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.333 -14.518 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.870 -15.227 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.769 -14.828 0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.431 -15.401 0.276 1.00 0.00 H new