USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 20 MET CE :methyl 175:sc= 0 (180deg=-0.045) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 28 THR OG1 : rot 160:sc= -1.26 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 31 SER OG : rot 109:sc= -0.943 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0838) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.02 X(o=-1,f=-0.83) USER MOD Single : A 45 ASN : amide:sc= 0.875 K(o=0.87,f=-0.96) USER MOD Single : A 51 TYR OH : rot 86:sc= -1.4 USER MOD Single : A 52 GLN : amide:sc= -11.9! C(o=-12!,f=-19!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.134 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -177:sc= -0.774 (180deg=-0.78) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -31:sc= 0.211 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.962 USER MOD Single : A 96 GLN : amide:sc= -0.685 K(o=-0.68,f=-3!) USER MOD Single : A 99 ASN : amide:sc= -3.61! C(o=-3.6!,f=-16!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00048 USER MOD Single : A 107 SER OG : rot -89:sc= 0.283 USER MOD Single : A 108 SER OG : rot 180:sc= 0.151 USER MOD Single : A 111 ASN : amide:sc= -0.9 K(o=-0.9,f=-2.7!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 176:sc= 1.58 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.235 12.616 -3.223 1.00 0.00 N ATOM 151 CA ALA A 14 10.286 11.516 -3.191 1.00 0.00 C ATOM 152 C ALA A 14 10.634 10.515 -4.294 1.00 0.00 C ATOM 153 O ALA A 14 11.327 10.856 -5.251 1.00 0.00 O ATOM 154 CB ALA A 14 8.864 12.065 -3.329 1.00 0.00 C ATOM 0 HA ALA A 14 10.341 10.989 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.152 11.240 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.656 12.748 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.770 12.598 -4.275 1.00 0.00 H new ATOM 160 N PRO A 15 10.124 9.266 -4.118 1.00 0.00 N ATOM 161 CA PRO A 15 10.374 8.213 -5.087 1.00 0.00 C ATOM 162 C PRO A 15 9.532 8.417 -6.348 1.00 0.00 C ATOM 163 O PRO A 15 8.465 9.026 -6.295 1.00 0.00 O ATOM 164 CB PRO A 15 10.047 6.920 -4.357 1.00 0.00 C ATOM 165 CG PRO A 15 9.187 7.320 -3.169 1.00 0.00 C ATOM 166 CD PRO A 15 9.300 8.826 -2.997 1.00 0.00 C ATOM 0 HA PRO A 15 11.405 8.204 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.515 6.227 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.956 6.416 -4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.149 7.032 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.520 6.807 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.319 9.301 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.760 9.082 -2.043 1.00 0.00 H new ATOM 174 N ASP A 16 10.044 7.896 -7.454 1.00 0.00 N ATOM 175 CA ASP A 16 9.353 8.013 -8.726 1.00 0.00 C ATOM 176 C ASP A 16 9.149 6.618 -9.322 1.00 0.00 C ATOM 177 O ASP A 16 9.640 6.327 -10.412 1.00 0.00 O ATOM 178 CB ASP A 16 10.169 8.838 -9.723 1.00 0.00 C ATOM 179 CG ASP A 16 10.084 10.354 -9.531 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.452 10.765 -8.533 1.00 0.00 O ATOM 181 OD2 ASP A 16 10.653 11.067 -10.385 1.00 0.00 O ATOM 0 H ASP A 16 10.930 7.392 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 16 8.398 8.507 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.214 8.536 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.835 8.595 -10.732 1.00 0.00 H new ATOM 186 N GLY A 17 8.425 5.793 -8.580 1.00 0.00 N ATOM 187 CA GLY A 17 8.151 4.436 -9.021 1.00 0.00 C ATOM 188 C GLY A 17 7.499 3.618 -7.905 1.00 0.00 C ATOM 189 O GLY A 17 8.013 3.564 -6.789 1.00 0.00 O ATOM 0 H GLY A 17 8.020 6.038 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.495 4.458 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.079 3.957 -9.333 1.00 0.00 H new ATOM 193 N PRO A 18 6.347 2.984 -8.254 1.00 0.00 N ATOM 194 CA PRO A 18 5.620 2.171 -7.295 1.00 0.00 C ATOM 195 C PRO A 18 6.326 0.834 -7.063 1.00 0.00 C ATOM 196 O PRO A 18 7.285 0.505 -7.758 1.00 0.00 O ATOM 197 CB PRO A 18 4.229 2.014 -7.887 1.00 0.00 C ATOM 198 CG PRO A 18 4.365 2.347 -9.364 1.00 0.00 C ATOM 199 CD PRO A 18 5.710 3.025 -9.567 1.00 0.00 C ATOM 0 HA PRO A 18 5.568 2.630 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.858 0.999 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.519 2.682 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.299 1.441 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.555 3.003 -9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.308 2.503 -10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.588 4.050 -9.916 1.00 0.00 H new ATOM 207 N PRO A 19 5.809 0.079 -6.056 1.00 0.00 N ATOM 208 CA PRO A 19 6.379 -1.216 -5.724 1.00 0.00 C ATOM 209 C PRO A 19 5.989 -2.270 -6.762 1.00 0.00 C ATOM 210 O PRO A 19 5.126 -2.027 -7.604 1.00 0.00 O ATOM 211 CB PRO A 19 5.856 -1.530 -4.332 1.00 0.00 C ATOM 212 CG PRO A 19 4.650 -0.628 -4.127 1.00 0.00 C ATOM 213 CD PRO A 19 4.673 0.436 -5.212 1.00 0.00 C ATOM 0 HA PRO A 19 7.469 -1.211 -5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.577 -2.580 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.618 -1.341 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.728 -1.206 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.682 -0.167 -3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.743 0.442 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.793 1.433 -4.787 1.00 0.00 H new ATOM 221 N MET A 20 6.643 -3.418 -6.667 1.00 0.00 N ATOM 222 CA MET A 20 6.375 -4.510 -7.587 1.00 0.00 C ATOM 223 C MET A 20 5.637 -5.652 -6.884 1.00 0.00 C ATOM 224 O MET A 20 5.384 -5.584 -5.682 1.00 0.00 O ATOM 225 CB MET A 20 7.695 -5.031 -8.159 1.00 0.00 C ATOM 226 CG MET A 20 8.444 -3.925 -8.905 1.00 0.00 C ATOM 227 SD MET A 20 8.742 -4.420 -10.593 1.00 0.00 S ATOM 228 CE MET A 20 7.454 -3.500 -11.418 1.00 0.00 C ATOM 0 H MET A 20 7.358 -3.616 -5.967 1.00 0.00 H new ATOM 0 HA MET A 20 5.742 -4.135 -8.392 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.318 -5.417 -7.352 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.499 -5.863 -8.836 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.862 -3.003 -8.885 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.390 -3.715 -8.406 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.551 -3.625 -12.496 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.480 -3.869 -11.096 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.543 -2.443 -11.166 1.00 0.00 H new ATOM 238 N ASP A 21 5.313 -6.673 -7.663 1.00 0.00 N ATOM 239 CA ASP A 21 4.609 -7.827 -7.130 1.00 0.00 C ATOM 240 C ASP A 21 3.426 -7.352 -6.284 1.00 0.00 C ATOM 241 O ASP A 21 3.080 -7.982 -5.286 1.00 0.00 O ATOM 242 CB ASP A 21 5.525 -8.665 -6.235 1.00 0.00 C ATOM 243 CG ASP A 21 5.321 -10.178 -6.336 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.514 -10.585 -7.200 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.976 -10.893 -5.548 1.00 0.00 O ATOM 0 H ASP A 21 5.525 -6.725 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 21 4.271 -8.434 -7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.561 -8.436 -6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.373 -8.361 -5.199 1.00 0.00 H new ATOM 250 N VAL A 22 2.839 -6.245 -6.714 1.00 0.00 N ATOM 251 CA VAL A 22 1.703 -5.678 -6.008 1.00 0.00 C ATOM 252 C VAL A 22 0.443 -6.473 -6.358 1.00 0.00 C ATOM 253 O VAL A 22 -0.085 -6.351 -7.462 1.00 0.00 O ATOM 254 CB VAL A 22 1.578 -4.187 -6.330 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.470 -3.538 -5.498 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.912 -3.468 -6.123 1.00 0.00 C ATOM 0 H VAL A 22 3.129 -5.726 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 22 1.846 -5.753 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 22 1.306 -4.093 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.402 -2.479 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.481 -4.024 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.699 -3.649 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.796 -2.410 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.226 -3.576 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.666 -3.905 -6.778 1.00 0.00 H new ATOM 266 N THR A 23 -0.002 -7.268 -5.397 1.00 0.00 N ATOM 267 CA THR A 23 -1.190 -8.083 -5.590 1.00 0.00 C ATOM 268 C THR A 23 -1.945 -8.246 -4.269 1.00 0.00 C ATOM 269 O THR A 23 -1.377 -8.046 -3.196 1.00 0.00 O ATOM 270 CB THR A 23 -0.756 -9.412 -6.210 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.926 -9.886 -6.871 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.465 -10.483 -5.156 1.00 0.00 C ATOM 0 H THR A 23 0.438 -7.366 -4.482 1.00 0.00 H new ATOM 0 HA THR A 23 -1.892 -7.604 -6.272 1.00 0.00 H new ATOM 0 HB THR A 23 0.132 -9.253 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.733 -10.744 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.161 -11.406 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.336 -10.141 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.363 -10.666 -4.566 1.00 0.00 H new ATOM 280 N LEU A 24 -3.213 -8.608 -4.390 1.00 0.00 N ATOM 281 CA LEU A 24 -4.052 -8.800 -3.219 1.00 0.00 C ATOM 282 C LEU A 24 -4.363 -10.290 -3.059 1.00 0.00 C ATOM 283 O LEU A 24 -4.188 -11.068 -3.995 1.00 0.00 O ATOM 284 CB LEU A 24 -5.298 -7.917 -3.302 1.00 0.00 C ATOM 285 CG LEU A 24 -5.047 -6.419 -3.483 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.352 -5.676 -3.777 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.316 -5.835 -2.272 1.00 0.00 C ATOM 0 H LEU A 24 -3.681 -8.774 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.526 -8.485 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.911 -8.265 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.882 -8.060 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.397 -6.284 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.145 -4.613 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.796 -6.069 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.045 -5.816 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.150 -4.769 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.920 -5.982 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.357 -6.337 -2.149 1.00 0.00 H new ATOM 299 N GLN A 25 -4.820 -10.642 -1.866 1.00 0.00 N ATOM 300 CA GLN A 25 -5.157 -12.024 -1.572 1.00 0.00 C ATOM 301 C GLN A 25 -5.996 -12.105 -0.295 1.00 0.00 C ATOM 302 O GLN A 25 -5.536 -11.721 0.779 1.00 0.00 O ATOM 303 CB GLN A 25 -3.897 -12.883 -1.455 1.00 0.00 C ATOM 304 CG GLN A 25 -4.187 -14.337 -1.834 1.00 0.00 C ATOM 305 CD GLN A 25 -3.111 -14.884 -2.774 1.00 0.00 C ATOM 306 OE1 GLN A 25 -3.023 -14.524 -3.936 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.299 -15.773 -2.208 1.00 0.00 N ATOM 0 H GLN A 25 -4.965 -9.994 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.749 -12.417 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.118 -12.483 -2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.516 -12.839 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.233 -14.949 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.163 -14.403 -2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.428 -16.031 -1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.548 -16.197 -2.753 1.00 0.00 H new ATOM 316 N PRO A 26 -7.244 -12.621 -0.459 1.00 0.00 N ATOM 317 CA PRO A 26 -8.151 -12.757 0.668 1.00 0.00 C ATOM 318 C PRO A 26 -7.745 -13.932 1.560 1.00 0.00 C ATOM 319 O PRO A 26 -7.699 -15.074 1.105 1.00 0.00 O ATOM 320 CB PRO A 26 -9.527 -12.931 0.047 1.00 0.00 C ATOM 321 CG PRO A 26 -9.284 -13.350 -1.394 1.00 0.00 C ATOM 322 CD PRO A 26 -7.822 -13.086 -1.716 1.00 0.00 C ATOM 0 HA PRO A 26 -8.134 -11.890 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.104 -13.686 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.097 -12.003 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.520 -14.405 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.931 -12.789 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.325 -13.989 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.718 -12.337 -2.501 1.00 0.00 H new ATOM 330 N VAL A 27 -7.461 -13.611 2.814 1.00 0.00 N ATOM 331 CA VAL A 27 -7.060 -14.626 3.773 1.00 0.00 C ATOM 332 C VAL A 27 -8.254 -14.981 4.662 1.00 0.00 C ATOM 333 O VAL A 27 -8.445 -16.143 5.017 1.00 0.00 O ATOM 334 CB VAL A 27 -5.845 -14.144 4.568 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.560 -14.298 3.752 1.00 0.00 C ATOM 336 CG2 VAL A 27 -6.031 -12.698 5.031 1.00 0.00 C ATOM 0 H VAL A 27 -7.501 -12.663 3.188 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.754 -15.538 3.259 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.755 -14.770 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.711 -13.948 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.416 -15.347 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.636 -13.708 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.153 -12.380 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.159 -12.052 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.914 -12.630 5.667 1.00 0.00 H new ATOM 346 N THR A 28 -9.026 -13.958 4.997 1.00 0.00 N ATOM 347 CA THR A 28 -10.196 -14.147 5.838 1.00 0.00 C ATOM 348 C THR A 28 -11.461 -13.705 5.099 1.00 0.00 C ATOM 349 O THR A 28 -11.542 -13.819 3.877 1.00 0.00 O ATOM 350 CB THR A 28 -9.963 -13.394 7.149 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.953 -12.022 6.763 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.563 -13.631 7.719 1.00 0.00 C ATOM 0 H THR A 28 -8.864 -12.995 4.701 1.00 0.00 H new ATOM 0 HA THR A 28 -10.347 -15.200 6.075 1.00 0.00 H new ATOM 0 HB THR A 28 -10.710 -13.700 7.882 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.130 -11.460 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.450 -13.074 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.425 -14.695 7.914 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.816 -13.293 7.001 1.00 0.00 H new ATOM 360 N SER A 29 -12.416 -13.210 5.872 1.00 0.00 N ATOM 361 CA SER A 29 -13.673 -12.750 5.307 1.00 0.00 C ATOM 362 C SER A 29 -13.755 -11.224 5.384 1.00 0.00 C ATOM 363 O SER A 29 -14.470 -10.597 4.605 1.00 0.00 O ATOM 364 CB SER A 29 -14.866 -13.382 6.027 1.00 0.00 C ATOM 365 OG SER A 29 -14.743 -14.799 6.120 1.00 0.00 O ATOM 0 H SER A 29 -12.345 -13.117 6.885 1.00 0.00 H new ATOM 0 HA SER A 29 -13.710 -13.057 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.951 -12.959 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.784 -13.132 5.496 1.00 0.00 H new ATOM 0 HG SER A 29 -15.523 -15.165 6.587 1.00 0.00 H new ATOM 371 N GLN A 30 -13.012 -10.671 6.331 1.00 0.00 N ATOM 372 CA GLN A 30 -12.991 -9.231 6.521 1.00 0.00 C ATOM 373 C GLN A 30 -11.549 -8.720 6.547 1.00 0.00 C ATOM 374 O GLN A 30 -11.192 -7.901 7.393 1.00 0.00 O ATOM 375 CB GLN A 30 -13.736 -8.835 7.797 1.00 0.00 C ATOM 376 CG GLN A 30 -15.246 -9.018 7.629 1.00 0.00 C ATOM 377 CD GLN A 30 -15.981 -8.742 8.942 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.390 -8.408 9.956 1.00 0.00 O ATOM 379 NE2 GLN A 30 -17.300 -8.900 8.868 1.00 0.00 N ATOM 0 H GLN A 30 -12.420 -11.195 6.975 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.506 -8.766 5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.383 -9.441 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.517 -7.796 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.613 -8.345 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.458 -10.034 7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.731 -9.181 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.880 -8.740 9.692 1.00 0.00 H new ATOM 388 N SER A 31 -10.759 -9.224 5.611 1.00 0.00 N ATOM 389 CA SER A 31 -9.364 -8.829 5.516 1.00 0.00 C ATOM 390 C SER A 31 -8.764 -9.336 4.204 1.00 0.00 C ATOM 391 O SER A 31 -9.347 -10.193 3.541 1.00 0.00 O ATOM 392 CB SER A 31 -8.560 -9.356 6.706 1.00 0.00 C ATOM 393 OG SER A 31 -7.275 -8.747 6.794 1.00 0.00 O ATOM 0 H SER A 31 -11.058 -9.903 4.911 1.00 0.00 H new ATOM 0 HA SER A 31 -9.316 -7.740 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.113 -9.171 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.444 -10.436 6.615 1.00 0.00 H new ATOM 0 HG SER A 31 -7.253 -8.139 7.562 1.00 0.00 H new ATOM 399 N ILE A 32 -7.607 -8.786 3.867 1.00 0.00 N ATOM 400 CA ILE A 32 -6.922 -9.172 2.645 1.00 0.00 C ATOM 401 C ILE A 32 -5.415 -8.980 2.828 1.00 0.00 C ATOM 402 O ILE A 32 -4.982 -8.069 3.532 1.00 0.00 O ATOM 403 CB ILE A 32 -7.497 -8.416 1.446 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.983 -8.729 1.263 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.690 -8.704 0.178 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.536 -8.050 0.008 1.00 0.00 C ATOM 0 H ILE A 32 -7.126 -8.076 4.419 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.086 -10.229 2.434 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.415 -7.347 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.125 -9.807 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.540 -8.393 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.120 -8.154 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.656 -8.391 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.718 -9.772 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.594 -8.289 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.415 -6.970 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.994 -8.407 -0.868 1.00 0.00 H new ATOM 418 N GLN A 33 -4.656 -9.853 2.182 1.00 0.00 N ATOM 419 CA GLN A 33 -3.207 -9.791 2.264 1.00 0.00 C ATOM 420 C GLN A 33 -2.635 -9.089 1.031 1.00 0.00 C ATOM 421 O GLN A 33 -2.799 -9.565 -0.091 1.00 0.00 O ATOM 422 CB GLN A 33 -2.607 -11.189 2.427 1.00 0.00 C ATOM 423 CG GLN A 33 -1.078 -11.127 2.473 1.00 0.00 C ATOM 424 CD GLN A 33 -0.487 -12.483 2.866 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.574 -13.460 2.142 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.119 -12.486 4.050 1.00 0.00 N ATOM 0 H GLN A 33 -5.018 -10.608 1.599 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.937 -9.210 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.984 -11.646 3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.924 -11.824 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.693 -10.827 1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.762 -10.367 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.156 -11.632 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.547 -13.342 4.402 1.00 0.00 H new ATOM 435 N VAL A 34 -1.974 -7.968 1.281 1.00 0.00 N ATOM 436 CA VAL A 34 -1.377 -7.196 0.205 1.00 0.00 C ATOM 437 C VAL A 34 0.142 -7.378 0.234 1.00 0.00 C ATOM 438 O VAL A 34 0.815 -6.865 1.126 1.00 0.00 O ATOM 439 CB VAL A 34 -1.805 -5.731 0.312 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.265 -4.914 -0.864 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.327 -5.610 0.410 1.00 0.00 C ATOM 0 H VAL A 34 -1.839 -7.576 2.213 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.729 -7.554 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.377 -5.323 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.584 -3.877 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.176 -4.960 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.650 -5.323 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.604 -4.559 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.784 -6.043 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.678 -6.142 1.294 1.00 0.00 H new ATOM 451 N THR A 35 0.637 -8.111 -0.753 1.00 0.00 N ATOM 452 CA THR A 35 2.063 -8.367 -0.852 1.00 0.00 C ATOM 453 C THR A 35 2.658 -7.622 -2.048 1.00 0.00 C ATOM 454 O THR A 35 2.064 -7.596 -3.125 1.00 0.00 O ATOM 455 CB THR A 35 2.268 -9.882 -0.917 1.00 0.00 C ATOM 456 OG1 THR A 35 1.140 -10.353 -1.651 1.00 0.00 O ATOM 457 CG2 THR A 35 2.128 -10.552 0.451 1.00 0.00 C ATOM 0 H THR A 35 0.075 -8.536 -1.491 1.00 0.00 H new ATOM 0 HA THR A 35 2.594 -7.989 0.022 1.00 0.00 H new ATOM 0 HB THR A 35 3.255 -10.097 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.193 -11.327 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.283 -11.626 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.872 -10.142 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.130 -10.366 0.847 1.00 0.00 H new ATOM 465 N TRP A 36 3.823 -7.034 -1.819 1.00 0.00 N ATOM 466 CA TRP A 36 4.504 -6.289 -2.864 1.00 0.00 C ATOM 467 C TRP A 36 6.011 -6.424 -2.635 1.00 0.00 C ATOM 468 O TRP A 36 6.445 -6.812 -1.552 1.00 0.00 O ATOM 469 CB TRP A 36 4.032 -4.835 -2.898 1.00 0.00 C ATOM 470 CG TRP A 36 4.432 -4.021 -1.666 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.603 -3.418 -1.420 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.608 -3.745 -0.513 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.595 -2.776 -0.198 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.343 -2.981 0.371 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.286 -4.128 -0.228 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.841 -2.535 1.599 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.799 -3.674 1.004 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.526 -2.904 1.905 1.00 0.00 C ATOM 0 H TRP A 36 4.313 -7.059 -0.925 1.00 0.00 H new ATOM 0 HA TRP A 36 4.263 -6.695 -3.847 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.439 -4.353 -3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.946 -4.819 -2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.447 -3.432 -2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.366 -2.248 0.212 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.693 -4.725 -0.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.436 -1.938 2.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.788 -3.941 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.078 -2.592 2.837 1.00 0.00 H new ATOM 489 N LYS A 37 6.767 -6.096 -3.673 1.00 0.00 N ATOM 490 CA LYS A 37 8.216 -6.175 -3.598 1.00 0.00 C ATOM 491 C LYS A 37 8.811 -4.786 -3.835 1.00 0.00 C ATOM 492 O LYS A 37 8.099 -3.858 -4.215 1.00 0.00 O ATOM 493 CB LYS A 37 8.744 -7.242 -4.559 1.00 0.00 C ATOM 494 CG LYS A 37 8.431 -8.648 -4.042 1.00 0.00 C ATOM 495 CD LYS A 37 9.176 -9.709 -4.855 1.00 0.00 C ATOM 496 CE LYS A 37 10.412 -10.208 -4.104 1.00 0.00 C ATOM 497 NZ LYS A 37 10.942 -11.436 -4.737 1.00 0.00 N ATOM 0 H LYS A 37 6.403 -5.775 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 37 8.530 -6.491 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.296 -7.104 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.821 -7.127 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.713 -8.725 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.358 -8.829 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.510 -10.546 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.474 -9.292 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.179 -9.434 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.156 -10.409 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.781 -11.761 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.214 -12.178 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.205 -11.233 -5.722 1.00 0.00 H new ATOM 511 N ALA A 38 10.111 -4.686 -3.600 1.00 0.00 N ATOM 512 CA ALA A 38 10.810 -3.426 -3.783 1.00 0.00 C ATOM 513 C ALA A 38 10.427 -2.827 -5.137 1.00 0.00 C ATOM 514 O ALA A 38 10.231 -3.555 -6.109 1.00 0.00 O ATOM 515 CB ALA A 38 12.318 -3.655 -3.653 1.00 0.00 C ATOM 0 H ALA A 38 10.699 -5.458 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 38 10.520 -2.711 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.843 -2.710 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.542 -4.054 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.645 -4.365 -4.413 1.00 0.00 H new ATOM 521 N PRO A 39 10.328 -1.470 -5.158 1.00 0.00 N ATOM 522 CA PRO A 39 9.971 -0.765 -6.378 1.00 0.00 C ATOM 523 C PRO A 39 11.148 -0.729 -7.355 1.00 0.00 C ATOM 524 O PRO A 39 12.254 -1.144 -7.015 1.00 0.00 O ATOM 525 CB PRO A 39 9.537 0.618 -5.919 1.00 0.00 C ATOM 526 CG PRO A 39 10.105 0.790 -4.520 1.00 0.00 C ATOM 527 CD PRO A 39 10.552 -0.576 -4.027 1.00 0.00 C ATOM 0 HA PRO A 39 9.170 -1.257 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.914 1.389 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.450 0.704 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.945 1.485 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.353 1.210 -3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.601 -0.566 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.978 -0.889 -3.155 1.00 0.00 H new ATOM 535 N LYS A 40 10.868 -0.228 -8.549 1.00 0.00 N ATOM 536 CA LYS A 40 11.890 -0.133 -9.578 1.00 0.00 C ATOM 537 C LYS A 40 13.204 0.328 -8.945 1.00 0.00 C ATOM 538 O LYS A 40 13.211 1.228 -8.106 1.00 0.00 O ATOM 539 CB LYS A 40 11.413 0.761 -10.725 1.00 0.00 C ATOM 540 CG LYS A 40 11.032 -0.074 -11.949 1.00 0.00 C ATOM 541 CD LYS A 40 9.575 -0.534 -11.868 1.00 0.00 C ATOM 542 CE LYS A 40 8.672 0.353 -12.728 1.00 0.00 C ATOM 543 NZ LYS A 40 7.380 0.593 -12.046 1.00 0.00 N ATOM 0 H LYS A 40 9.949 0.116 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 40 12.076 -1.111 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.555 1.349 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.200 1.467 -10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.182 0.513 -12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.688 -0.942 -12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.498 -1.569 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.238 -0.506 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.168 1.303 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.498 -0.123 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.849 1.327 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.827 -0.288 -12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.556 0.909 -11.071 1.00 0.00 H new ATOM 557 N LYS A 41 14.285 -0.310 -9.370 1.00 0.00 N ATOM 558 CA LYS A 41 15.602 0.024 -8.855 1.00 0.00 C ATOM 559 C LYS A 41 16.004 1.413 -9.355 1.00 0.00 C ATOM 560 O LYS A 41 16.472 2.245 -8.579 1.00 0.00 O ATOM 561 CB LYS A 41 16.609 -1.072 -9.208 1.00 0.00 C ATOM 562 CG LYS A 41 18.041 -0.612 -8.930 1.00 0.00 C ATOM 563 CD LYS A 41 18.470 -0.983 -7.509 1.00 0.00 C ATOM 564 CE LYS A 41 19.672 -0.147 -7.063 1.00 0.00 C ATOM 565 NZ LYS A 41 20.743 -1.021 -6.534 1.00 0.00 N ATOM 0 H LYS A 41 14.276 -1.056 -10.065 1.00 0.00 H new ATOM 0 HA LYS A 41 15.584 0.070 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.393 -1.970 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.507 -1.339 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.720 -1.069 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.113 0.467 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.639 -0.826 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.723 -2.042 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.051 0.434 -7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.364 0.565 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.551 -0.438 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.383 -1.557 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.049 -1.683 -7.275 1.00 0.00 H new ATOM 579 N GLU A 42 15.806 1.621 -10.649 1.00 0.00 N ATOM 580 CA GLU A 42 16.142 2.895 -11.262 1.00 0.00 C ATOM 581 C GLU A 42 15.130 3.965 -10.850 1.00 0.00 C ATOM 582 O GLU A 42 15.265 5.129 -11.225 1.00 0.00 O ATOM 583 CB GLU A 42 16.217 2.767 -12.784 1.00 0.00 C ATOM 584 CG GLU A 42 14.823 2.833 -13.410 1.00 0.00 C ATOM 585 CD GLU A 42 14.881 2.547 -14.912 1.00 0.00 C ATOM 586 OE1 GLU A 42 15.207 3.496 -15.658 1.00 0.00 O ATOM 587 OE2 GLU A 42 14.599 1.386 -15.280 1.00 0.00 O ATOM 0 H GLU A 42 15.417 0.929 -11.289 1.00 0.00 H new ATOM 0 HA GLU A 42 17.127 3.199 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.839 3.565 -13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.694 1.824 -13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.168 2.110 -12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.391 3.819 -13.241 1.00 0.00 H new ATOM 594 N LEU A 43 14.138 3.533 -10.085 1.00 0.00 N ATOM 595 CA LEU A 43 13.103 4.440 -9.619 1.00 0.00 C ATOM 596 C LEU A 43 13.203 4.583 -8.098 1.00 0.00 C ATOM 597 O LEU A 43 12.189 4.578 -7.403 1.00 0.00 O ATOM 598 CB LEU A 43 11.727 3.979 -10.103 1.00 0.00 C ATOM 599 CG LEU A 43 11.514 3.984 -11.619 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.050 3.706 -11.967 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.013 5.291 -12.238 1.00 0.00 C ATOM 0 H LEU A 43 14.029 2.567 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 43 13.248 5.433 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.554 2.968 -9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.970 4.618 -9.647 1.00 0.00 H new ATOM 0 HG LEU A 43 12.106 3.177 -12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.925 3.715 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.762 2.730 -11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.418 4.475 -11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.850 5.269 -13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.468 6.130 -11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.078 5.407 -12.034 1.00 0.00 H new ATOM 613 N GLN A 44 14.435 4.708 -7.628 1.00 0.00 N ATOM 614 CA GLN A 44 14.681 4.852 -6.203 1.00 0.00 C ATOM 615 C GLN A 44 15.454 6.143 -5.926 1.00 0.00 C ATOM 616 O GLN A 44 16.680 6.170 -6.024 1.00 0.00 O ATOM 617 CB GLN A 44 15.427 3.636 -5.650 1.00 0.00 C ATOM 618 CG GLN A 44 14.481 2.448 -5.468 1.00 0.00 C ATOM 619 CD GLN A 44 15.264 1.151 -5.250 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.390 1.147 -4.779 1.00 0.00 O ATOM 621 NE2 GLN A 44 14.608 0.055 -5.619 1.00 0.00 N ATOM 0 H GLN A 44 15.274 4.713 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 44 13.720 4.910 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 44 16.235 3.361 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.885 3.890 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.825 2.628 -4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.843 2.349 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.667 0.130 -6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.045 -0.861 -5.515 1.00 0.00 H new ATOM 630 N ASN A 45 14.706 7.181 -5.584 1.00 0.00 N ATOM 631 CA ASN A 45 15.305 8.472 -5.292 1.00 0.00 C ATOM 632 C ASN A 45 15.769 8.496 -3.834 1.00 0.00 C ATOM 633 O ASN A 45 15.442 9.419 -3.090 1.00 0.00 O ATOM 634 CB ASN A 45 14.295 9.605 -5.485 1.00 0.00 C ATOM 635 CG ASN A 45 14.239 10.045 -6.950 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.241 10.123 -7.641 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.013 10.327 -7.383 1.00 0.00 N ATOM 0 H ASN A 45 13.690 7.154 -5.502 1.00 0.00 H new ATOM 0 HA ASN A 45 16.143 8.616 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.307 9.276 -5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.569 10.453 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.869 10.629 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.217 10.241 -6.751 1.00 0.00 H new ATOM 644 N GLY A 46 16.523 7.469 -3.470 1.00 0.00 N ATOM 645 CA GLY A 46 17.035 7.361 -2.114 1.00 0.00 C ATOM 646 C GLY A 46 16.398 6.178 -1.381 1.00 0.00 C ATOM 647 O GLY A 46 15.283 5.772 -1.702 1.00 0.00 O ATOM 0 H GLY A 46 16.792 6.705 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.118 7.238 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.831 8.283 -1.570 1.00 0.00 H new ATOM 651 N VAL A 47 17.135 5.659 -0.409 1.00 0.00 N ATOM 652 CA VAL A 47 16.657 4.532 0.372 1.00 0.00 C ATOM 653 C VAL A 47 15.176 4.735 0.699 1.00 0.00 C ATOM 654 O VAL A 47 14.670 5.854 0.632 1.00 0.00 O ATOM 655 CB VAL A 47 17.525 4.353 1.619 1.00 0.00 C ATOM 656 CG1 VAL A 47 17.260 5.465 2.636 1.00 0.00 C ATOM 657 CG2 VAL A 47 17.308 2.974 2.245 1.00 0.00 C ATOM 0 H VAL A 47 18.060 5.999 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 47 16.740 3.608 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 47 18.569 4.421 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.890 5.314 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.489 6.431 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.212 5.443 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.937 2.873 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.261 2.864 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 47 17.571 2.201 1.523 1.00 0.00 H new ATOM 667 N ILE A 48 14.523 3.636 1.046 1.00 0.00 N ATOM 668 CA ILE A 48 13.110 3.679 1.383 1.00 0.00 C ATOM 669 C ILE A 48 12.950 3.577 2.901 1.00 0.00 C ATOM 670 O ILE A 48 13.778 2.969 3.577 1.00 0.00 O ATOM 671 CB ILE A 48 12.341 2.606 0.610 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.967 2.368 -0.766 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.856 2.960 0.511 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.756 3.577 -1.681 1.00 0.00 C ATOM 0 H ILE A 48 14.946 2.710 1.101 1.00 0.00 H new ATOM 0 HA ILE A 48 12.674 4.631 1.079 1.00 0.00 H new ATOM 0 HB ILE A 48 12.412 1.669 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 48 14.034 2.173 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.526 1.481 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.332 2.181 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.433 3.039 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.743 3.912 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 48 13.210 3.382 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.688 3.754 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.219 4.457 -1.234 1.00 0.00 H new ATOM 686 N ARG A 49 11.878 4.181 3.393 1.00 0.00 N ATOM 687 CA ARG A 49 11.598 4.165 4.819 1.00 0.00 C ATOM 688 C ARG A 49 10.355 3.321 5.106 1.00 0.00 C ATOM 689 O ARG A 49 10.198 2.796 6.208 1.00 0.00 O ATOM 690 CB ARG A 49 11.379 5.582 5.352 1.00 0.00 C ATOM 691 CG ARG A 49 12.643 6.430 5.194 1.00 0.00 C ATOM 692 CD ARG A 49 13.262 6.750 6.556 1.00 0.00 C ATOM 693 NE ARG A 49 14.728 6.910 6.421 1.00 0.00 N ATOM 694 CZ ARG A 49 15.575 5.898 6.188 1.00 0.00 C ATOM 695 NH1 ARG A 49 15.108 4.648 6.063 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.889 6.136 6.080 1.00 0.00 N ATOM 0 H ARG A 49 11.193 4.685 2.829 1.00 0.00 H new ATOM 0 HA ARG A 49 12.461 3.729 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.553 6.051 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.095 5.539 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.367 5.898 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.401 7.357 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.824 7.663 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.039 5.951 7.263 1.00 0.00 H new ATOM 0 HE ARG A 49 15.117 7.849 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.108 4.467 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.753 3.878 5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.244 7.087 6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.534 5.366 5.903 1.00 0.00 H new ATOM 710 N GLY A 50 9.503 3.217 4.097 1.00 0.00 N ATOM 711 CA GLY A 50 8.279 2.446 4.228 1.00 0.00 C ATOM 712 C GLY A 50 7.388 2.618 2.996 1.00 0.00 C ATOM 713 O GLY A 50 7.728 3.364 2.079 1.00 0.00 O ATOM 0 H GLY A 50 9.636 3.654 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.522 1.392 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.738 2.764 5.119 1.00 0.00 H new ATOM 717 N TYR A 51 6.265 1.914 3.014 1.00 0.00 N ATOM 718 CA TYR A 51 5.323 1.980 1.910 1.00 0.00 C ATOM 719 C TYR A 51 3.888 2.116 2.421 1.00 0.00 C ATOM 720 O TYR A 51 3.473 1.384 3.318 1.00 0.00 O ATOM 721 CB TYR A 51 5.461 0.654 1.159 1.00 0.00 C ATOM 722 CG TYR A 51 6.839 0.436 0.529 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.952 0.306 1.334 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.968 0.369 -0.843 1.00 0.00 C ATOM 725 CE1 TYR A 51 9.249 0.100 0.742 1.00 0.00 C ATOM 726 CE2 TYR A 51 8.264 0.163 -1.435 1.00 0.00 C ATOM 727 CZ TYR A 51 9.341 0.039 -0.614 1.00 0.00 C ATOM 728 OH TYR A 51 10.565 -0.155 -1.173 1.00 0.00 O ATOM 0 H TYR A 51 5.987 1.295 3.776 1.00 0.00 H new ATOM 0 HA TYR A 51 5.532 2.843 1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.254 -0.165 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.704 0.611 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.851 0.359 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.097 0.471 -1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.128 -0.004 1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.378 0.108 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 51 10.757 -1.115 -1.216 1.00 0.00 H new ATOM 738 N GLN A 52 3.169 3.057 1.827 1.00 0.00 N ATOM 739 CA GLN A 52 1.788 3.298 2.211 1.00 0.00 C ATOM 740 C GLN A 52 0.867 2.270 1.552 1.00 0.00 C ATOM 741 O GLN A 52 1.215 1.684 0.528 1.00 0.00 O ATOM 742 CB GLN A 52 1.361 4.724 1.856 1.00 0.00 C ATOM 743 CG GLN A 52 1.797 5.712 2.940 1.00 0.00 C ATOM 744 CD GLN A 52 0.774 5.765 4.076 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.103 4.795 4.388 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.693 6.950 4.676 1.00 0.00 N ATOM 0 H GLN A 52 3.517 3.662 1.083 1.00 0.00 H new ATOM 0 HA GLN A 52 1.708 3.188 3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.798 5.011 0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.278 4.764 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.770 5.418 3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.916 6.705 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.284 7.721 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.040 7.088 5.447 1.00 0.00 H new ATOM 755 N ILE A 53 -0.292 2.081 2.166 1.00 0.00 N ATOM 756 CA ILE A 53 -1.266 1.134 1.652 1.00 0.00 C ATOM 757 C ILE A 53 -2.653 1.780 1.661 1.00 0.00 C ATOM 758 O ILE A 53 -3.268 1.923 2.717 1.00 0.00 O ATOM 759 CB ILE A 53 -1.196 -0.182 2.429 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.144 -0.884 2.197 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.382 -1.085 2.087 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.224 -0.325 3.126 1.00 0.00 C ATOM 0 H ILE A 53 -0.578 2.568 3.015 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.039 0.879 0.617 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.261 0.046 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.032 -1.955 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.451 -0.756 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.307 -2.014 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.312 -0.577 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.373 -1.309 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.166 -0.841 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.351 0.741 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.926 -0.476 4.163 1.00 0.00 H new ATOM 774 N GLY A 54 -3.106 2.152 0.473 1.00 0.00 N ATOM 775 CA GLY A 54 -4.409 2.779 0.331 1.00 0.00 C ATOM 776 C GLY A 54 -5.435 1.791 -0.226 1.00 0.00 C ATOM 777 O GLY A 54 -5.154 1.071 -1.183 1.00 0.00 O ATOM 0 H GLY A 54 -2.594 2.031 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.745 3.151 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.332 3.641 -0.332 1.00 0.00 H new ATOM 781 N TYR A 55 -6.605 1.788 0.397 1.00 0.00 N ATOM 782 CA TYR A 55 -7.675 0.899 -0.025 1.00 0.00 C ATOM 783 C TYR A 55 -9.044 1.482 0.332 1.00 0.00 C ATOM 784 O TYR A 55 -9.194 2.138 1.361 1.00 0.00 O ATOM 785 CB TYR A 55 -7.471 -0.404 0.751 1.00 0.00 C ATOM 786 CG TYR A 55 -7.758 -0.288 2.249 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.865 0.365 3.074 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.911 -0.836 2.775 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.135 0.474 4.485 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.181 -0.727 4.185 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.280 -0.077 4.970 1.00 0.00 C ATOM 792 OH TYR A 55 -8.535 0.026 6.302 1.00 0.00 O ATOM 0 H TYR A 55 -6.835 2.387 1.190 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.648 0.751 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.117 -1.173 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.443 -0.740 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.964 0.794 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.610 -1.346 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.444 0.981 5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.079 -1.152 4.610 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.388 -0.412 6.507 1.00 0.00 H new ATOM 802 N ARG A 56 -10.007 1.222 -0.540 1.00 0.00 N ATOM 803 CA ARG A 56 -11.359 1.713 -0.330 1.00 0.00 C ATOM 804 C ARG A 56 -12.363 0.844 -1.090 1.00 0.00 C ATOM 805 O ARG A 56 -12.031 0.265 -2.123 1.00 0.00 O ATOM 806 CB ARG A 56 -11.496 3.164 -0.795 1.00 0.00 C ATOM 807 CG ARG A 56 -11.008 3.327 -2.236 1.00 0.00 C ATOM 808 CD ARG A 56 -11.903 4.296 -3.011 1.00 0.00 C ATOM 809 NE ARG A 56 -11.925 3.929 -4.444 1.00 0.00 N ATOM 810 CZ ARG A 56 -12.651 4.567 -5.372 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.419 5.608 -5.023 1.00 0.00 N ATOM 812 NH2 ARG A 56 -12.609 4.164 -6.650 1.00 0.00 N ATOM 0 H ARG A 56 -9.878 0.678 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.567 1.665 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.538 3.476 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.922 3.816 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.982 3.694 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.000 2.357 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.915 4.273 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.536 5.316 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.351 3.141 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.451 5.915 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.972 6.094 -5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.024 3.372 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.162 4.650 -7.356 1.00 0.00 H new ATOM 826 N GLU A 57 -13.571 0.780 -0.549 1.00 0.00 N ATOM 827 CA GLU A 57 -14.625 -0.008 -1.163 1.00 0.00 C ATOM 828 C GLU A 57 -14.839 0.430 -2.613 1.00 0.00 C ATOM 829 O GLU A 57 -15.198 1.578 -2.872 1.00 0.00 O ATOM 830 CB GLU A 57 -15.924 0.094 -0.362 1.00 0.00 C ATOM 831 CG GLU A 57 -16.600 -1.272 -0.234 1.00 0.00 C ATOM 832 CD GLU A 57 -17.981 -1.144 0.411 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.095 -0.325 1.349 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.892 -1.866 -0.049 1.00 0.00 O ATOM 0 H GLU A 57 -13.843 1.261 0.308 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.317 -1.054 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.713 0.493 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.602 0.794 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.696 -1.727 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.976 -1.936 0.364 1.00 0.00 H new ATOM 936 N TYR A 66 -9.424 7.166 0.168 1.00 0.00 N ATOM 937 CA TYR A 66 -8.732 5.904 0.367 1.00 0.00 C ATOM 938 C TYR A 66 -8.062 5.856 1.741 1.00 0.00 C ATOM 939 O TYR A 66 -7.361 6.791 2.127 1.00 0.00 O ATOM 940 CB TYR A 66 -7.653 5.840 -0.716 1.00 0.00 C ATOM 941 CG TYR A 66 -8.116 5.180 -2.017 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.018 5.827 -2.836 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.630 3.937 -2.371 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.453 5.206 -4.060 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.065 3.316 -3.595 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.955 3.981 -4.379 1.00 0.00 C ATOM 947 OH TYR A 66 -9.366 3.394 -5.535 1.00 0.00 O ATOM 0 HA TYR A 66 -9.431 5.070 0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.312 6.852 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.795 5.292 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.398 6.799 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.924 3.431 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.159 5.702 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.693 2.344 -3.884 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.928 2.523 -5.634 1.00 0.00 H new ATOM 957 N SER A 67 -8.300 4.757 2.442 1.00 0.00 N ATOM 958 CA SER A 67 -7.728 4.575 3.765 1.00 0.00 C ATOM 959 C SER A 67 -6.225 4.313 3.654 1.00 0.00 C ATOM 960 O SER A 67 -5.809 3.239 3.221 1.00 0.00 O ATOM 961 CB SER A 67 -8.413 3.427 4.509 1.00 0.00 C ATOM 962 OG SER A 67 -9.694 3.804 5.008 1.00 0.00 O ATOM 0 H SER A 67 -8.881 3.984 2.118 1.00 0.00 H new ATOM 0 HA SER A 67 -7.890 5.489 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.521 2.574 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.782 3.104 5.337 1.00 0.00 H new ATOM 0 HG SER A 67 -10.100 3.044 5.475 1.00 0.00 H new ATOM 968 N ILE A 68 -5.451 5.311 4.053 1.00 0.00 N ATOM 969 CA ILE A 68 -4.003 5.202 4.003 1.00 0.00 C ATOM 970 C ILE A 68 -3.490 4.667 5.342 1.00 0.00 C ATOM 971 O ILE A 68 -3.975 5.065 6.400 1.00 0.00 O ATOM 972 CB ILE A 68 -3.378 6.537 3.594 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.729 6.886 2.146 1.00 0.00 C ATOM 974 CG2 ILE A 68 -1.867 6.531 3.832 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.304 5.767 1.194 1.00 0.00 C ATOM 0 H ILE A 68 -5.799 6.200 4.413 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.701 4.488 3.237 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.800 7.319 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.802 7.054 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.236 7.816 1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.448 7.492 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.666 6.361 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.409 5.736 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.565 6.040 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.227 5.618 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.817 4.844 1.465 1.00 0.00 H new ATOM 987 N VAL A 69 -2.515 3.775 5.252 1.00 0.00 N ATOM 988 CA VAL A 69 -1.931 3.182 6.443 1.00 0.00 C ATOM 989 C VAL A 69 -0.407 3.167 6.305 1.00 0.00 C ATOM 990 O VAL A 69 0.136 2.471 5.448 1.00 0.00 O ATOM 991 CB VAL A 69 -2.523 1.792 6.680 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.730 1.863 7.618 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.897 1.122 5.356 1.00 0.00 C ATOM 0 H VAL A 69 -2.115 3.448 4.373 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.172 3.778 7.323 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.760 1.181 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.132 0.861 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.422 2.280 8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.497 2.499 7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.316 0.135 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.635 1.732 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.007 1.021 4.735 1.00 0.00 H new ATOM 1003 N GLU A 70 0.241 3.943 7.163 1.00 0.00 N ATOM 1004 CA GLU A 70 1.691 4.027 7.147 1.00 0.00 C ATOM 1005 C GLU A 70 2.301 2.822 7.866 1.00 0.00 C ATOM 1006 O GLU A 70 1.729 2.315 8.830 1.00 0.00 O ATOM 1007 CB GLU A 70 2.170 5.339 7.773 1.00 0.00 C ATOM 1008 CG GLU A 70 3.670 5.286 8.074 1.00 0.00 C ATOM 1009 CD GLU A 70 3.923 4.870 9.525 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.520 5.647 10.417 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.513 3.783 9.708 1.00 0.00 O ATOM 0 H GLU A 70 -0.212 4.518 7.873 1.00 0.00 H new ATOM 0 HA GLU A 70 2.025 4.013 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.960 6.167 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.617 5.531 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.155 4.580 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.117 6.263 7.889 1.00 0.00 H new ATOM 1018 N MET A 71 3.453 2.398 7.369 1.00 0.00 N ATOM 1019 CA MET A 71 4.146 1.261 7.952 1.00 0.00 C ATOM 1020 C MET A 71 5.660 1.387 7.764 1.00 0.00 C ATOM 1021 O MET A 71 6.143 2.389 7.239 1.00 0.00 O ATOM 1022 CB MET A 71 3.655 -0.029 7.294 1.00 0.00 C ATOM 1023 CG MET A 71 3.879 0.008 5.781 1.00 0.00 C ATOM 1024 SD MET A 71 5.524 -0.567 5.392 1.00 0.00 S ATOM 1025 CE MET A 71 5.194 -2.302 5.137 1.00 0.00 C ATOM 0 H MET A 71 3.924 2.821 6.569 1.00 0.00 H new ATOM 0 HA MET A 71 3.932 1.238 9.021 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.180 -0.883 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.595 -0.168 7.505 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.139 -0.616 5.280 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.743 1.024 5.410 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.129 -2.825 4.936 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.730 -2.719 6.031 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.521 -2.423 4.288 1.00 0.00 H new ATOM 1035 N LYS A 72 6.366 0.356 8.204 1.00 0.00 N ATOM 1036 CA LYS A 72 7.814 0.338 8.090 1.00 0.00 C ATOM 1037 C LYS A 72 8.233 -0.779 7.132 1.00 0.00 C ATOM 1038 O LYS A 72 7.505 -1.754 6.953 1.00 0.00 O ATOM 1039 CB LYS A 72 8.459 0.234 9.474 1.00 0.00 C ATOM 1040 CG LYS A 72 8.098 -1.090 10.149 1.00 0.00 C ATOM 1041 CD LYS A 72 9.356 -1.881 10.514 1.00 0.00 C ATOM 1042 CE LYS A 72 9.674 -1.749 12.004 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.837 -0.857 12.209 1.00 0.00 N ATOM 0 H LYS A 72 5.962 -0.473 8.640 1.00 0.00 H new ATOM 0 HA LYS A 72 8.174 1.275 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.542 0.316 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.129 1.066 10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.513 -0.896 11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.472 -1.683 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.215 -2.932 10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.200 -1.521 9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.807 -1.353 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.883 -2.732 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.039 -0.778 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.667 -1.250 11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.624 0.086 11.825 1.00 0.00 H new ATOM 1057 N ALA A 73 9.405 -0.599 6.540 1.00 0.00 N ATOM 1058 CA ALA A 73 9.929 -1.579 5.604 1.00 0.00 C ATOM 1059 C ALA A 73 10.848 -2.549 6.350 1.00 0.00 C ATOM 1060 O ALA A 73 11.969 -2.194 6.711 1.00 0.00 O ATOM 1061 CB ALA A 73 10.646 -0.860 4.460 1.00 0.00 C ATOM 0 H ALA A 73 10.006 0.211 6.691 1.00 0.00 H new ATOM 0 HA ALA A 73 9.119 -2.162 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.039 -1.595 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.943 -0.205 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.467 -0.266 4.861 1.00 0.00 H new ATOM 1067 N THR A 74 10.339 -3.754 6.559 1.00 0.00 N ATOM 1068 CA THR A 74 11.100 -4.777 7.255 1.00 0.00 C ATOM 1069 C THR A 74 12.088 -5.449 6.299 1.00 0.00 C ATOM 1070 O THR A 74 12.800 -6.375 6.687 1.00 0.00 O ATOM 1071 CB THR A 74 10.108 -5.754 7.889 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.680 -6.569 6.802 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.828 -5.064 8.365 1.00 0.00 C ATOM 0 H THR A 74 9.409 -4.045 6.258 1.00 0.00 H new ATOM 0 HA THR A 74 11.708 -4.346 8.051 1.00 0.00 H new ATOM 0 HB THR A 74 10.583 -6.257 8.731 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.698 -6.045 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.159 -5.803 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.077 -4.309 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.334 -4.588 7.518 1.00 0.00 H new ATOM 1081 N GLY A 75 12.100 -4.958 5.069 1.00 0.00 N ATOM 1082 CA GLY A 75 12.989 -5.499 4.055 1.00 0.00 C ATOM 1083 C GLY A 75 12.533 -5.093 2.653 1.00 0.00 C ATOM 1084 O GLY A 75 11.699 -4.202 2.501 1.00 0.00 O ATOM 0 H GLY A 75 11.508 -4.191 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.004 -5.142 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.016 -6.586 4.132 1.00 0.00 H new ATOM 1088 N ASP A 76 13.101 -5.765 1.662 1.00 0.00 N ATOM 1089 CA ASP A 76 12.763 -5.485 0.277 1.00 0.00 C ATOM 1090 C ASP A 76 11.288 -5.811 0.040 1.00 0.00 C ATOM 1091 O ASP A 76 10.569 -5.034 -0.586 1.00 0.00 O ATOM 1092 CB ASP A 76 13.596 -6.343 -0.677 1.00 0.00 C ATOM 1093 CG ASP A 76 15.111 -6.234 -0.490 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.541 -6.265 0.683 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.804 -6.122 -1.524 1.00 0.00 O ATOM 0 H ASP A 76 13.793 -6.503 1.791 1.00 0.00 H new ATOM 0 HA ASP A 76 12.967 -4.431 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.304 -7.386 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.351 -6.063 -1.701 1.00 0.00 H new ATOM 1100 N SER A 77 10.879 -6.963 0.554 1.00 0.00 N ATOM 1101 CA SER A 77 9.502 -7.402 0.406 1.00 0.00 C ATOM 1102 C SER A 77 8.685 -6.980 1.628 1.00 0.00 C ATOM 1103 O SER A 77 9.129 -7.144 2.764 1.00 0.00 O ATOM 1104 CB SER A 77 9.425 -8.917 0.212 1.00 0.00 C ATOM 1105 OG SER A 77 9.954 -9.626 1.330 1.00 0.00 O ATOM 0 H SER A 77 11.478 -7.605 1.073 1.00 0.00 H new ATOM 0 HA SER A 77 9.085 -6.928 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.387 -9.210 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.974 -9.196 -0.687 1.00 0.00 H new ATOM 0 HG SER A 77 9.885 -10.590 1.168 1.00 0.00 H new ATOM 1111 N GLU A 78 7.504 -6.445 1.355 1.00 0.00 N ATOM 1112 CA GLU A 78 6.620 -5.999 2.419 1.00 0.00 C ATOM 1113 C GLU A 78 5.203 -6.527 2.188 1.00 0.00 C ATOM 1114 O GLU A 78 4.811 -6.787 1.052 1.00 0.00 O ATOM 1115 CB GLU A 78 6.625 -4.473 2.532 1.00 0.00 C ATOM 1116 CG GLU A 78 8.006 -3.958 2.941 1.00 0.00 C ATOM 1117 CD GLU A 78 8.508 -4.675 4.196 1.00 0.00 C ATOM 1118 OE1 GLU A 78 7.720 -4.744 5.164 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.669 -5.137 4.159 1.00 0.00 O ATOM 0 H GLU A 78 7.138 -6.310 0.412 1.00 0.00 H new ATOM 0 HA GLU A 78 6.987 -6.402 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.337 -4.033 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.883 -4.157 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.711 -4.110 2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.958 -2.885 3.125 1.00 0.00 H new ATOM 1126 N VAL A 79 4.473 -6.670 3.285 1.00 0.00 N ATOM 1127 CA VAL A 79 3.108 -7.163 3.216 1.00 0.00 C ATOM 1128 C VAL A 79 2.274 -6.496 4.313 1.00 0.00 C ATOM 1129 O VAL A 79 2.792 -6.171 5.380 1.00 0.00 O ATOM 1130 CB VAL A 79 3.098 -8.690 3.303 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.644 -9.167 4.650 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.694 -9.244 3.053 1.00 0.00 C ATOM 0 H VAL A 79 4.801 -6.453 4.226 1.00 0.00 H new ATOM 0 HA VAL A 79 2.656 -6.903 2.259 1.00 0.00 H new ATOM 0 HB VAL A 79 3.754 -9.074 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.626 -10.256 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.669 -8.817 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.027 -8.768 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.715 -10.332 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.008 -8.847 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.358 -8.949 2.059 1.00 0.00 H new ATOM 1142 N TYR A 80 0.997 -6.314 4.012 1.00 0.00 N ATOM 1143 CA TYR A 80 0.087 -5.692 4.958 1.00 0.00 C ATOM 1144 C TYR A 80 -1.317 -6.290 4.843 1.00 0.00 C ATOM 1145 O TYR A 80 -1.919 -6.267 3.771 1.00 0.00 O ATOM 1146 CB TYR A 80 0.030 -4.211 4.579 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.408 -3.292 5.721 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.623 -3.495 6.343 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.412 -2.260 6.129 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.035 -2.630 7.418 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.000 -1.395 7.204 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.203 -1.623 7.795 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.592 -0.806 8.811 1.00 0.00 O ATOM 0 H TYR A 80 0.571 -6.586 3.126 1.00 0.00 H new ATOM 0 HA TYR A 80 0.431 -5.849 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.014 -3.897 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.658 -4.087 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.265 -4.303 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.363 -2.101 5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.983 -2.778 7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.632 -0.584 7.533 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.899 -0.133 8.973 1.00 0.00 H new ATOM 1163 N THR A 81 -1.797 -6.812 5.963 1.00 0.00 N ATOM 1164 CA THR A 81 -3.118 -7.415 6.001 1.00 0.00 C ATOM 1165 C THR A 81 -4.176 -6.362 6.337 1.00 0.00 C ATOM 1166 O THR A 81 -4.374 -6.026 7.503 1.00 0.00 O ATOM 1167 CB THR A 81 -3.079 -8.576 6.997 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.343 -9.591 6.319 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.457 -9.202 7.221 1.00 0.00 C ATOM 0 H THR A 81 -1.294 -6.830 6.850 1.00 0.00 H new ATOM 0 HA THR A 81 -3.399 -7.813 5.026 1.00 0.00 H new ATOM 0 HB THR A 81 -2.681 -8.224 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.268 -10.381 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.373 -10.021 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.140 -8.448 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.841 -9.584 6.275 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.827 -5.870 5.293 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.859 -4.861 5.463 1.00 0.00 C ATOM 1179 C LEU A 82 -7.117 -5.517 6.036 1.00 0.00 C ATOM 1180 O LEU A 82 -7.824 -6.235 5.330 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.099 -4.114 4.149 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.890 -3.382 3.563 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -5.073 -3.134 2.065 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.609 -2.088 4.329 1.00 0.00 C ATOM 0 H LEU A 82 -4.660 -6.151 4.327 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.539 -4.104 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.460 -4.828 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.897 -3.388 4.307 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.014 -4.021 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.200 -2.612 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.188 -4.088 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.962 -2.525 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.745 -1.587 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.478 -1.433 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.404 -2.321 5.374 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.359 -5.246 7.310 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.519 -5.801 7.986 1.00 0.00 C ATOM 1198 C ASP A 83 -9.631 -4.751 8.025 1.00 0.00 C ATOM 1199 O ASP A 83 -9.409 -3.593 7.677 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.184 -6.188 9.428 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.090 -5.345 10.086 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.441 -4.260 10.600 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -5.927 -5.803 10.061 1.00 0.00 O ATOM 0 H ASP A 83 -6.771 -4.649 7.892 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.835 -6.689 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.091 -6.112 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.876 -7.233 9.446 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.805 -5.195 8.451 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.953 -4.308 8.539 1.00 0.00 C ATOM 1210 C ASN A 84 -12.509 -4.059 7.136 1.00 0.00 C ATOM 1211 O ASN A 84 -12.566 -2.918 6.680 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.559 -2.956 9.138 1.00 0.00 C ATOM 1213 CG ASN A 84 -12.536 -2.540 10.241 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -13.623 -2.046 9.989 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -12.089 -2.767 11.473 1.00 0.00 N ATOM 0 H ASN A 84 -10.986 -6.157 8.739 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.698 -4.783 9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.549 -3.014 9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.544 -2.198 8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.667 -2.524 12.278 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.169 -3.184 11.613 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.905 -5.146 6.490 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.455 -5.060 5.147 1.00 0.00 C ATOM 1224 C LEU A 85 -14.853 -5.680 5.133 1.00 0.00 C ATOM 1225 O LEU A 85 -15.343 -6.140 6.163 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.494 -5.685 4.134 1.00 0.00 C ATOM 1227 CG LEU A 85 -11.008 -5.387 4.346 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -10.144 -6.186 3.368 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.733 -3.884 4.259 1.00 0.00 C ATOM 0 H LEU A 85 -12.856 -6.091 6.871 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.565 -4.018 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.633 -6.766 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.774 -5.342 3.138 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.735 -5.707 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.092 -5.956 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.312 -7.252 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.411 -5.920 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.670 -3.699 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.026 -3.517 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.307 -3.364 5.026 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.457 -5.673 3.953 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.789 -6.230 3.791 1.00 0.00 C ATOM 1243 C LYS A 86 -16.677 -7.679 3.314 1.00 0.00 C ATOM 1244 O LYS A 86 -15.602 -8.124 2.915 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.632 -5.343 2.872 1.00 0.00 C ATOM 1246 CG LYS A 86 -19.043 -5.157 3.433 1.00 0.00 C ATOM 1247 CD LYS A 86 -20.047 -4.885 2.311 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.166 -5.929 2.311 1.00 0.00 C ATOM 1249 NZ LYS A 86 -22.037 -5.756 3.495 1.00 0.00 N ATOM 0 H LYS A 86 -15.048 -5.290 3.100 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.313 -6.249 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.151 -4.371 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.687 -5.790 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.340 -6.050 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.050 -4.329 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.474 -3.889 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.535 -4.896 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.758 -5.836 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.737 -6.931 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.791 -6.472 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.472 -5.867 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.461 -4.807 3.478 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.802 -8.376 3.371 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.844 -9.766 2.950 1.00 0.00 C ATOM 1265 C LYS A 87 -18.002 -9.829 1.430 1.00 0.00 C ATOM 1266 O LYS A 87 -18.819 -9.111 0.856 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.932 -10.525 3.713 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.639 -10.540 5.215 1.00 0.00 C ATOM 1269 CD LYS A 87 -18.907 -11.924 5.811 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.205 -12.084 7.161 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.186 -12.012 8.267 1.00 0.00 N ATOM 0 H LYS A 87 -18.692 -8.004 3.703 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.907 -10.266 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.901 -10.059 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.996 -11.548 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.600 -10.260 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -19.258 -9.797 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.980 -12.069 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.559 -12.694 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.680 -13.039 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.454 -11.303 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.693 -12.122 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.668 -11.091 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.887 -12.772 8.159 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.206 -10.696 0.820 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.247 -10.862 -0.623 1.00 0.00 C ATOM 1287 C PHE A 88 -17.586 -9.542 -1.318 1.00 0.00 C ATOM 1288 O PHE A 88 -18.642 -9.415 -1.936 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.347 -11.881 -0.925 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.359 -12.373 -2.374 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.187 -12.576 -3.033 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.542 -12.609 -3.002 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.198 -13.032 -4.377 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -19.553 -13.065 -4.347 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.381 -13.268 -5.006 1.00 0.00 C ATOM 0 H PHE A 88 -16.529 -11.290 1.299 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.274 -11.193 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.226 -12.738 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.315 -11.435 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.248 -12.390 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.473 -12.450 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.267 -13.192 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.492 -13.251 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.389 -13.616 -6.028 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.670 -8.592 -1.193 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.859 -7.286 -1.802 1.00 0.00 C ATOM 1307 C ALA A 89 -15.576 -6.877 -2.528 1.00 0.00 C ATOM 1308 O ALA A 89 -14.475 -7.165 -2.061 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.268 -6.277 -0.727 1.00 0.00 C ATOM 0 H ALA A 89 -15.796 -8.701 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.660 -7.318 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.410 -5.297 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.199 -6.599 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.486 -6.215 0.030 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.761 -6.211 -3.658 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.632 -5.759 -4.454 1.00 0.00 C ATOM 1317 C GLN A 90 -13.954 -4.564 -3.781 1.00 0.00 C ATOM 1318 O GLN A 90 -14.540 -3.487 -3.682 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.070 -5.410 -5.878 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.885 -4.911 -6.709 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.076 -5.244 -8.190 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -13.414 -6.103 -8.750 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -15.014 -4.519 -8.791 1.00 0.00 N ATOM 0 H GLN A 90 -16.676 -5.973 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.910 -6.573 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.508 -6.288 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.845 -4.644 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.778 -3.833 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.964 -5.367 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.531 -3.816 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.216 -4.666 -9.780 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.727 -4.794 -3.335 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.963 -3.750 -2.675 1.00 0.00 C ATOM 1334 C TYR A 91 -10.661 -3.464 -3.426 1.00 0.00 C ATOM 1335 O TYR A 91 -9.858 -4.369 -3.650 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.626 -4.290 -1.283 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.653 -3.926 -0.209 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -13.728 -4.758 0.029 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -12.504 -2.764 0.522 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -14.694 -4.415 1.040 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -13.471 -2.421 1.532 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.518 -3.264 1.742 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.431 -2.940 2.697 1.00 0.00 O ATOM 0 H TYR A 91 -12.244 -5.688 -3.418 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.534 -2.823 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.541 -5.375 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.650 -3.908 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.845 -5.667 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.663 -2.113 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -15.540 -5.058 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.368 -1.515 2.110 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.177 -2.092 3.118 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.493 -2.203 -3.796 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.303 -1.787 -4.519 1.00 0.00 C ATOM 1355 C GLY A 92 -8.240 -1.248 -3.559 1.00 0.00 C ATOM 1356 O GLY A 92 -8.536 -0.415 -2.704 1.00 0.00 O ATOM 0 H GLY A 92 -11.161 -1.455 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.899 -2.631 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.565 -1.019 -5.246 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.025 -1.747 -3.733 1.00 0.00 N ATOM 1361 CA VAL A 93 -5.916 -1.326 -2.893 1.00 0.00 C ATOM 1362 C VAL A 93 -4.797 -0.767 -3.775 1.00 0.00 C ATOM 1363 O VAL A 93 -4.681 -1.134 -4.943 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.458 -2.488 -2.010 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -4.362 -2.041 -1.041 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -6.639 -3.104 -1.257 1.00 0.00 C ATOM 0 H VAL A 93 -6.784 -2.439 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.228 -0.528 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.038 -3.257 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.054 -2.886 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.505 -1.672 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.744 -1.246 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.285 -3.928 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.102 -2.347 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.372 -3.477 -1.972 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.002 0.111 -3.181 1.00 0.00 N ATOM 1377 CA VAL A 94 -2.897 0.723 -3.898 1.00 0.00 C ATOM 1378 C VAL A 94 -1.715 0.907 -2.944 1.00 0.00 C ATOM 1379 O VAL A 94 -1.823 1.617 -1.946 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.353 2.034 -4.543 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.358 1.771 -5.667 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.937 2.985 -3.497 1.00 0.00 C ATOM 0 H VAL A 94 -4.101 0.413 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.563 0.076 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.478 2.514 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.666 2.719 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.894 1.148 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.231 1.259 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.253 3.909 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.795 2.515 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.179 3.210 -2.746 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.614 0.253 -3.285 1.00 0.00 N ATOM 1393 CA VAL A 95 0.587 0.335 -2.471 1.00 0.00 C ATOM 1394 C VAL A 95 1.557 1.338 -3.100 1.00 0.00 C ATOM 1395 O VAL A 95 1.596 1.488 -4.320 1.00 0.00 O ATOM 1396 CB VAL A 95 1.197 -1.057 -2.297 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.256 -1.057 -1.192 1.00 0.00 C ATOM 1398 CG2 VAL A 95 0.113 -2.100 -2.018 1.00 0.00 C ATOM 0 H VAL A 95 -0.529 -0.336 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 95 0.347 0.698 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 95 1.688 -1.327 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.674 -2.058 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.051 -0.357 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.799 -0.756 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.574 -3.081 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.420 -1.836 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.588 -2.128 -2.852 1.00 0.00 H new ATOM 1408 N GLN A 96 2.315 2.000 -2.238 1.00 0.00 N ATOM 1409 CA GLN A 96 3.281 2.985 -2.693 1.00 0.00 C ATOM 1410 C GLN A 96 4.423 3.114 -1.683 1.00 0.00 C ATOM 1411 O GLN A 96 4.202 3.028 -0.476 1.00 0.00 O ATOM 1412 CB GLN A 96 2.611 4.338 -2.939 1.00 0.00 C ATOM 1413 CG GLN A 96 1.369 4.502 -2.061 1.00 0.00 C ATOM 1414 CD GLN A 96 0.673 5.836 -2.340 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.115 5.974 -3.261 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.007 6.807 -1.494 1.00 0.00 N ATOM 0 H GLN A 96 2.279 1.873 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 96 3.697 2.646 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.317 5.141 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.332 4.424 -3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.677 3.681 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.653 4.448 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.674 6.623 -0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.596 7.735 -1.595 1.00 0.00 H new ATOM 1425 N ALA A 97 5.620 3.318 -2.214 1.00 0.00 N ATOM 1426 CA ALA A 97 6.797 3.460 -1.374 1.00 0.00 C ATOM 1427 C ALA A 97 7.006 4.939 -1.043 1.00 0.00 C ATOM 1428 O ALA A 97 7.021 5.783 -1.937 1.00 0.00 O ATOM 1429 CB ALA A 97 8.006 2.844 -2.082 1.00 0.00 C ATOM 0 H ALA A 97 5.800 3.388 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 97 6.664 2.927 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.889 2.950 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.818 1.787 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.172 3.356 -3.030 1.00 0.00 H new ATOM 1435 N PHE A 98 7.163 5.207 0.246 1.00 0.00 N ATOM 1436 CA PHE A 98 7.370 6.569 0.707 1.00 0.00 C ATOM 1437 C PHE A 98 8.643 6.675 1.548 1.00 0.00 C ATOM 1438 O PHE A 98 8.904 5.823 2.397 1.00 0.00 O ATOM 1439 CB PHE A 98 6.166 6.935 1.576 1.00 0.00 C ATOM 1440 CG PHE A 98 6.136 6.222 2.930 1.00 0.00 C ATOM 1441 CD1 PHE A 98 7.005 6.586 3.910 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.240 5.223 3.152 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.977 5.924 5.166 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.212 4.561 4.408 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.081 4.926 5.388 1.00 0.00 C ATOM 0 H PHE A 98 7.151 4.504 0.985 1.00 0.00 H new ATOM 0 HA PHE A 98 7.474 7.239 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.166 8.012 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.252 6.697 1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.717 7.379 3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.550 4.933 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.667 6.213 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.501 3.768 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.059 4.423 6.343 1.00 0.00 H new ATOM 1455 N ASN A 99 9.403 7.728 1.285 1.00 0.00 N ATOM 1456 CA ASN A 99 10.643 7.956 2.007 1.00 0.00 C ATOM 1457 C ASN A 99 10.608 9.346 2.645 1.00 0.00 C ATOM 1458 O ASN A 99 9.646 10.092 2.464 1.00 0.00 O ATOM 1459 CB ASN A 99 11.848 7.898 1.066 1.00 0.00 C ATOM 1460 CG ASN A 99 11.614 8.759 -0.177 1.00 0.00 C ATOM 1461 OD1 ASN A 99 11.013 9.820 -0.125 1.00 0.00 O ATOM 1462 ND2 ASN A 99 12.122 8.246 -1.294 1.00 0.00 N ATOM 0 H ASN A 99 9.184 8.433 0.581 1.00 0.00 H new ATOM 0 HA ASN A 99 10.740 7.178 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.740 8.243 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.032 6.866 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.020 8.746 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.614 7.353 -1.267 1.00 0.00 H new ATOM 1469 N ARG A 100 11.667 9.652 3.379 1.00 0.00 N ATOM 1470 CA ARG A 100 11.770 10.940 4.045 1.00 0.00 C ATOM 1471 C ARG A 100 11.675 12.075 3.024 1.00 0.00 C ATOM 1472 O ARG A 100 11.314 13.198 3.371 1.00 0.00 O ATOM 1473 CB ARG A 100 13.089 11.061 4.810 1.00 0.00 C ATOM 1474 CG ARG A 100 13.202 9.976 5.884 1.00 0.00 C ATOM 1475 CD ARG A 100 12.744 10.503 7.246 1.00 0.00 C ATOM 1476 NE ARG A 100 11.277 10.359 7.377 1.00 0.00 N ATOM 1477 CZ ARG A 100 10.604 10.542 8.521 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.262 10.878 9.639 1.00 0.00 N ATOM 1479 NH2 ARG A 100 9.273 10.390 8.547 1.00 0.00 N ATOM 0 H ARG A 100 12.462 9.030 3.528 1.00 0.00 H new ATOM 0 HA ARG A 100 10.944 11.013 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.925 10.979 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.156 12.045 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.597 9.115 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.234 9.632 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.244 9.955 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.026 11.550 7.353 1.00 0.00 H new ATOM 0 HE ARG A 100 10.745 10.105 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.275 10.994 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.750 11.017 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.772 10.135 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.761 10.529 9.418 1.00 0.00 H new ATOM 1493 N ALA A 101 12.005 11.742 1.784 1.00 0.00 N ATOM 1494 CA ALA A 101 11.961 12.719 0.710 1.00 0.00 C ATOM 1495 C ALA A 101 10.503 12.998 0.339 1.00 0.00 C ATOM 1496 O ALA A 101 10.192 14.046 -0.224 1.00 0.00 O ATOM 1497 CB ALA A 101 12.778 12.209 -0.478 1.00 0.00 C ATOM 0 H ALA A 101 12.304 10.809 1.500 1.00 0.00 H new ATOM 0 HA ALA A 101 12.405 13.661 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.745 12.942 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.812 12.055 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.360 11.265 -0.829 1.00 0.00 H new ATOM 1503 N GLY A 102 9.649 12.041 0.670 1.00 0.00 N ATOM 1504 CA GLY A 102 8.231 12.171 0.378 1.00 0.00 C ATOM 1505 C GLY A 102 7.602 10.805 0.096 1.00 0.00 C ATOM 1506 O GLY A 102 8.131 9.776 0.514 1.00 0.00 O ATOM 0 H GLY A 102 9.911 11.173 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.724 12.642 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.092 12.824 -0.483 1.00 0.00 H new ATOM 1510 N THR A 103 6.483 10.839 -0.612 1.00 0.00 N ATOM 1511 CA THR A 103 5.777 9.616 -0.956 1.00 0.00 C ATOM 1512 C THR A 103 5.802 9.393 -2.469 1.00 0.00 C ATOM 1513 O THR A 103 5.735 10.348 -3.242 1.00 0.00 O ATOM 1514 CB THR A 103 4.363 9.709 -0.378 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.563 10.163 0.957 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.708 8.336 -0.211 1.00 0.00 C ATOM 0 H THR A 103 6.047 11.694 -0.957 1.00 0.00 H new ATOM 0 HA THR A 103 6.264 8.742 -0.523 1.00 0.00 H new ATOM 0 HB THR A 103 3.745 10.329 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.696 10.253 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.707 8.458 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.642 7.844 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.308 7.727 0.465 1.00 0.00 H new ATOM 1524 N GLY A 104 5.898 8.127 -2.847 1.00 0.00 N ATOM 1525 CA GLY A 104 5.933 7.766 -4.254 1.00 0.00 C ATOM 1526 C GLY A 104 4.518 7.624 -4.818 1.00 0.00 C ATOM 1527 O GLY A 104 3.537 7.765 -4.089 1.00 0.00 O ATOM 0 H GLY A 104 5.953 7.338 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.477 8.526 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.474 6.828 -4.379 1.00 0.00 H new ATOM 1531 N PRO A 105 4.455 7.338 -6.147 1.00 0.00 N ATOM 1532 CA PRO A 105 3.176 7.175 -6.817 1.00 0.00 C ATOM 1533 C PRO A 105 2.539 5.830 -6.463 1.00 0.00 C ATOM 1534 O PRO A 105 3.236 4.888 -6.090 1.00 0.00 O ATOM 1535 CB PRO A 105 3.489 7.312 -8.298 1.00 0.00 C ATOM 1536 CG PRO A 105 4.985 7.083 -8.432 1.00 0.00 C ATOM 1537 CD PRO A 105 5.595 7.164 -7.042 1.00 0.00 C ATOM 0 HA PRO A 105 2.441 7.918 -6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.929 6.584 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.211 8.300 -8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.184 6.109 -8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.429 7.832 -9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.153 6.259 -6.801 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.291 7.999 -6.963 1.00 0.00 H new ATOM 1545 N SER A 106 1.221 5.784 -6.591 1.00 0.00 N ATOM 1546 CA SER A 106 0.482 4.570 -6.289 1.00 0.00 C ATOM 1547 C SER A 106 0.710 3.531 -7.389 1.00 0.00 C ATOM 1548 O SER A 106 0.992 3.884 -8.533 1.00 0.00 O ATOM 1549 CB SER A 106 -1.012 4.859 -6.134 1.00 0.00 C ATOM 1550 OG SER A 106 -1.525 5.618 -7.226 1.00 0.00 O ATOM 0 H SER A 106 0.646 6.568 -6.900 1.00 0.00 H new ATOM 0 HA SER A 106 0.848 4.174 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.557 3.918 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.182 5.401 -5.204 1.00 0.00 H new ATOM 0 HG SER A 106 -2.482 5.780 -7.091 1.00 0.00 H new ATOM 1556 N SER A 107 0.580 2.270 -7.003 1.00 0.00 N ATOM 1557 CA SER A 107 0.768 1.177 -7.942 1.00 0.00 C ATOM 1558 C SER A 107 -0.518 0.942 -8.737 1.00 0.00 C ATOM 1559 O SER A 107 -1.545 1.557 -8.457 1.00 0.00 O ATOM 1560 CB SER A 107 1.187 -0.105 -7.219 1.00 0.00 C ATOM 1561 OG SER A 107 0.468 -0.291 -6.003 1.00 0.00 O ATOM 0 H SER A 107 0.347 1.981 -6.053 1.00 0.00 H new ATOM 0 HA SER A 107 1.568 1.452 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.021 -0.961 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.255 -0.069 -7.007 1.00 0.00 H new ATOM 0 HG SER A 107 0.947 0.148 -5.269 1.00 0.00 H new ATOM 1567 N SER A 108 -0.419 0.050 -9.711 1.00 0.00 N ATOM 1568 CA SER A 108 -1.561 -0.274 -10.548 1.00 0.00 C ATOM 1569 C SER A 108 -2.716 -0.784 -9.683 1.00 0.00 C ATOM 1570 O SER A 108 -2.614 -1.843 -9.067 1.00 0.00 O ATOM 1571 CB SER A 108 -1.191 -1.315 -11.607 1.00 0.00 C ATOM 1572 OG SER A 108 0.191 -1.659 -11.558 1.00 0.00 O ATOM 0 H SER A 108 0.435 -0.459 -9.939 1.00 0.00 H new ATOM 0 HA SER A 108 -1.875 0.633 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.793 -2.212 -11.460 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.433 -0.927 -12.597 1.00 0.00 H new ATOM 0 HG SER A 108 0.387 -2.327 -12.248 1.00 0.00 H new ATOM 1578 N GLU A 109 -3.788 -0.006 -9.666 1.00 0.00 N ATOM 1579 CA GLU A 109 -4.961 -0.365 -8.886 1.00 0.00 C ATOM 1580 C GLU A 109 -5.356 -1.817 -9.162 1.00 0.00 C ATOM 1581 O GLU A 109 -5.413 -2.240 -10.315 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.124 0.585 -9.177 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.232 0.431 -8.133 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.455 1.273 -8.502 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.240 2.430 -8.924 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.576 0.741 -8.354 1.00 0.00 O ATOM 0 H GLU A 109 -3.869 0.871 -10.180 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.714 -0.270 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.765 1.614 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.524 0.382 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.519 -0.618 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.859 0.734 -7.155 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.620 -2.540 -8.083 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.008 -3.935 -8.194 1.00 0.00 C ATOM 1595 C ILE A 110 -7.326 -4.154 -7.448 1.00 0.00 C ATOM 1596 O ILE A 110 -7.936 -3.201 -6.965 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.875 -4.847 -7.719 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.999 -4.139 -6.683 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -4.056 -5.365 -8.903 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.802 -5.007 -6.292 1.00 0.00 C ATOM 0 H ILE A 110 -5.573 -2.185 -7.128 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.183 -4.199 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.317 -5.714 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.648 -3.189 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.591 -3.909 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.257 -6.011 -8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.703 -5.931 -9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.624 -4.522 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.196 -4.480 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.157 -5.946 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.199 -5.215 -7.176 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.727 -5.415 -7.378 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.962 -5.771 -6.699 1.00 0.00 C ATOM 1614 C ASN A 111 -8.853 -7.202 -6.169 1.00 0.00 C ATOM 1615 O ASN A 111 -8.004 -7.971 -6.617 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.154 -5.710 -7.656 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.902 -6.565 -8.900 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.512 -7.718 -8.824 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.145 -5.936 -10.047 1.00 0.00 N ATOM 0 H ASN A 111 -7.219 -6.203 -7.780 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.116 -5.062 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.052 -6.059 -7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.336 -4.677 -7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.006 -6.421 -10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.470 -4.969 -10.040 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.725 -7.516 -5.222 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.737 -8.841 -4.626 1.00 0.00 C ATOM 1628 C ALA A 112 -10.968 -8.980 -3.728 1.00 0.00 C ATOM 1629 O ALA A 112 -10.952 -8.548 -2.576 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.430 -9.071 -3.864 1.00 0.00 C ATOM 0 H ALA A 112 -10.428 -6.876 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.803 -9.608 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.440 -10.065 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.589 -8.991 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.330 -8.321 -3.079 1.00 0.00 H new ATOM 1636 N THR A 113 -12.005 -9.585 -4.288 1.00 0.00 N ATOM 1637 CA THR A 113 -13.242 -9.786 -3.552 1.00 0.00 C ATOM 1638 C THR A 113 -13.013 -10.736 -2.375 1.00 0.00 C ATOM 1639 O THR A 113 -12.710 -11.912 -2.572 1.00 0.00 O ATOM 1640 CB THR A 113 -14.303 -10.282 -4.536 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.283 -9.316 -5.583 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.720 -10.186 -3.967 1.00 0.00 C ATOM 0 H THR A 113 -12.014 -9.943 -5.243 1.00 0.00 H new ATOM 0 HA THR A 113 -13.597 -8.854 -3.113 1.00 0.00 H new ATOM 0 HB THR A 113 -14.091 -11.316 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.941 -9.561 -6.267 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.434 -10.550 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.791 -10.792 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.946 -9.147 -3.726 1.00 0.00 H new ATOM 1650 N THR A 114 -13.166 -10.191 -1.177 1.00 0.00 N ATOM 1651 CA THR A 114 -12.980 -10.976 0.032 1.00 0.00 C ATOM 1652 C THR A 114 -13.755 -12.292 -0.062 1.00 0.00 C ATOM 1653 O THR A 114 -14.458 -12.534 -1.042 1.00 0.00 O ATOM 1654 CB THR A 114 -13.393 -10.112 1.225 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.595 -9.478 0.795 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.427 -8.951 1.469 1.00 0.00 C ATOM 0 H THR A 114 -13.417 -9.215 -1.018 1.00 0.00 H new ATOM 0 HA THR A 114 -11.935 -11.259 0.163 1.00 0.00 H new ATOM 0 HB THR A 114 -13.449 -10.732 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.970 -8.953 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.766 -8.370 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.430 -9.343 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.396 -8.312 0.587 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.600 -13.108 0.970 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.276 -14.393 1.016 1.00 0.00 C ATOM 1666 C LEU A 115 -15.748 -14.178 1.373 1.00 0.00 C ATOM 1667 O LEU A 115 -16.074 -13.305 2.177 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.547 -15.349 1.963 1.00 0.00 C ATOM 1669 CG LEU A 115 -12.072 -15.608 1.650 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.507 -16.710 2.547 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.873 -15.918 0.165 1.00 0.00 C ATOM 0 H LEU A 115 -13.016 -12.904 1.781 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.252 -14.871 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.619 -14.951 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.072 -16.304 1.958 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.512 -14.698 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.457 -16.874 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.595 -16.410 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.065 -17.632 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.816 -16.098 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.448 -16.805 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.213 -15.072 -0.432 1.00 0.00 H new