USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 663 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 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 20 THR OG1 : rot 36:sc= 1.25 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 157:sc= 0.324 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 41 SER OG : rot 60:sc= 0.654 USER MOD Single : A 43 HIS : no HD1:sc= -0.944 K(o=-0.94,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 37:sc= 0.13 USER MOD Single : A 50 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1) USER MOD Single : A 61 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3.9!) USER MOD Single : A 62 GLN : amide:sc= -9.16! C(o=-9.2!,f=-14!) USER MOD Single : A 69 SER OG : rot -59:sc= 0.526 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.37 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -67:sc= 1.13 USER MOD Single : A 73 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.0046) USER MOD Single : A 77 GLN : amide:sc= -1.8! C(o=-1.8!,f=-4.8!) USER MOD Single : A 79 MET CE :methyl -152:sc= -1.72 (180deg=-3.56!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 15:sc= 0.807 USER MOD Single : A 89 SER OG : rot 24:sc= 0.0836 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 45:sc= 0.0346 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 157:sc= 2.12 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.985 -5.002 -3.732 1.00 0.00 N ATOM 86 CA GLU A 9 14.830 -5.773 -3.289 1.00 0.00 C ATOM 87 C GLU A 9 13.615 -4.870 -3.094 1.00 0.00 C ATOM 88 O GLU A 9 13.667 -3.673 -3.375 1.00 0.00 O ATOM 89 CB GLU A 9 15.148 -6.507 -1.985 1.00 0.00 C ATOM 90 CG GLU A 9 15.914 -7.804 -2.187 1.00 0.00 C ATOM 91 CD GLU A 9 15.001 -8.983 -2.460 1.00 0.00 C ATOM 92 OE1 GLU A 9 13.783 -8.764 -2.628 1.00 0.00 O ATOM 93 OE2 GLU A 9 15.504 -10.125 -2.504 1.00 0.00 O ATOM 0 HA GLU A 9 14.597 -6.505 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.729 -5.848 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.216 -6.723 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.608 -7.686 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.513 -8.010 -1.300 1.00 0.00 H new ATOM 100 N ALA A 10 12.523 -5.453 -2.611 1.00 0.00 N ATOM 101 CA ALA A 10 11.296 -4.701 -2.377 1.00 0.00 C ATOM 102 C ALA A 10 10.655 -5.098 -1.051 1.00 0.00 C ATOM 103 O ALA A 10 11.028 -6.090 -0.425 1.00 0.00 O ATOM 104 CB ALA A 10 10.319 -4.916 -3.523 1.00 0.00 C ATOM 0 H ALA A 10 12.463 -6.443 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 10 11.551 -3.642 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.407 -4.349 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.771 -4.578 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.077 -5.976 -3.601 1.00 0.00 H new ATOM 110 N PRO A 11 9.666 -4.305 -0.611 1.00 0.00 N ATOM 111 CA PRO A 11 8.952 -4.553 0.645 1.00 0.00 C ATOM 112 C PRO A 11 8.061 -5.788 0.571 1.00 0.00 C ATOM 113 O PRO A 11 7.676 -6.222 -0.515 1.00 0.00 O ATOM 114 CB PRO A 11 8.104 -3.291 0.826 1.00 0.00 C ATOM 115 CG PRO A 11 7.914 -2.762 -0.553 1.00 0.00 C ATOM 116 CD PRO A 11 9.170 -3.105 -1.306 1.00 0.00 C ATOM 0 HA PRO A 11 9.636 -4.746 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.148 -3.520 1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.607 -2.564 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.041 -3.211 -1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.750 -1.685 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.966 -3.305 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.895 -2.292 -1.271 1.00 0.00 H new ATOM 124 N ARG A 12 7.736 -6.348 1.731 1.00 0.00 N ATOM 125 CA ARG A 12 6.890 -7.534 1.797 1.00 0.00 C ATOM 126 C ARG A 12 5.873 -7.414 2.928 1.00 0.00 C ATOM 127 O ARG A 12 5.854 -6.422 3.656 1.00 0.00 O ATOM 128 CB ARG A 12 7.746 -8.786 1.995 1.00 0.00 C ATOM 129 CG ARG A 12 8.841 -8.617 3.036 1.00 0.00 C ATOM 130 CD ARG A 12 10.034 -9.512 2.739 1.00 0.00 C ATOM 131 NE ARG A 12 10.757 -9.880 3.953 1.00 0.00 N ATOM 132 CZ ARG A 12 11.696 -9.123 4.508 1.00 0.00 C ATOM 133 NH1 ARG A 12 12.025 -7.961 3.960 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.310 -9.526 5.613 1.00 0.00 N ATOM 0 H ARG A 12 8.046 -6.000 2.638 1.00 0.00 H new ATOM 0 HA ARG A 12 6.350 -7.618 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.101 -9.614 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.201 -9.059 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.163 -7.576 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.445 -8.852 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.693 -10.415 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.711 -8.999 2.055 1.00 0.00 H new ATOM 0 HE ARG A 12 10.528 -10.768 4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.556 -7.647 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.747 -7.381 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.061 -10.419 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.031 -8.943 6.037 1.00 0.00 H new ATOM 148 N ASP A 13 5.030 -8.431 3.068 1.00 0.00 N ATOM 149 CA ASP A 13 4.011 -8.441 4.111 1.00 0.00 C ATOM 150 C ASP A 13 3.280 -7.103 4.169 1.00 0.00 C ATOM 151 O ASP A 13 3.139 -6.506 5.237 1.00 0.00 O ATOM 152 CB ASP A 13 4.643 -8.750 5.469 1.00 0.00 C ATOM 153 CG ASP A 13 5.859 -7.890 5.751 1.00 0.00 C ATOM 154 OD1 ASP A 13 5.680 -6.715 6.131 1.00 0.00 O ATOM 155 OD2 ASP A 13 6.992 -8.393 5.590 1.00 0.00 O ATOM 0 H ASP A 13 5.032 -9.259 2.472 1.00 0.00 H new ATOM 0 HA ASP A 13 3.288 -9.220 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.903 -8.596 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.929 -9.801 5.502 1.00 0.00 H new ATOM 160 N LEU A 14 2.818 -6.637 3.014 1.00 0.00 N ATOM 161 CA LEU A 14 2.102 -5.368 2.933 1.00 0.00 C ATOM 162 C LEU A 14 0.611 -5.568 3.181 1.00 0.00 C ATOM 163 O LEU A 14 -0.155 -5.817 2.251 1.00 0.00 O ATOM 164 CB LEU A 14 2.321 -4.724 1.563 1.00 0.00 C ATOM 165 CG LEU A 14 1.491 -3.474 1.269 1.00 0.00 C ATOM 166 CD1 LEU A 14 2.009 -2.289 2.070 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.507 -3.161 -0.220 1.00 0.00 C ATOM 0 H LEU A 14 2.926 -7.118 2.121 1.00 0.00 H new ATOM 0 HA LEU A 14 2.494 -4.707 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.376 -4.466 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.106 -5.468 0.796 1.00 0.00 H new ATOM 0 HG LEU A 14 0.461 -3.667 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.406 -1.408 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.945 -2.514 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.048 -2.095 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.911 -2.268 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.533 -2.988 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.088 -4.002 -0.773 1.00 0.00 H new ATOM 179 N GLU A 15 0.206 -5.454 4.442 1.00 0.00 N ATOM 180 CA GLU A 15 -1.195 -5.621 4.812 1.00 0.00 C ATOM 181 C GLU A 15 -1.757 -4.333 5.408 1.00 0.00 C ATOM 182 O GLU A 15 -1.008 -3.454 5.832 1.00 0.00 O ATOM 183 CB GLU A 15 -1.349 -6.768 5.812 1.00 0.00 C ATOM 184 CG GLU A 15 -2.793 -7.072 6.173 1.00 0.00 C ATOM 185 CD GLU A 15 -2.988 -8.500 6.645 1.00 0.00 C ATOM 186 OE1 GLU A 15 -2.641 -9.428 5.884 1.00 0.00 O ATOM 187 OE2 GLU A 15 -3.488 -8.690 7.773 1.00 0.00 O ATOM 0 H GLU A 15 0.827 -5.247 5.224 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.757 -5.859 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.891 -7.665 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.800 -6.522 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.120 -6.387 6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.427 -6.890 5.305 1.00 0.00 H new ATOM 194 N ALA A 16 -3.082 -4.231 5.436 1.00 0.00 N ATOM 195 CA ALA A 16 -3.746 -3.053 5.981 1.00 0.00 C ATOM 196 C ALA A 16 -4.195 -3.292 7.419 1.00 0.00 C ATOM 197 O ALA A 16 -5.027 -4.160 7.684 1.00 0.00 O ATOM 198 CB ALA A 16 -4.933 -2.667 5.112 1.00 0.00 C ATOM 0 H ALA A 16 -3.716 -4.950 5.088 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.030 -2.231 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.419 -1.786 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.588 -2.445 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.644 -3.493 5.079 1.00 0.00 H new ATOM 204 N LYS A 17 -3.640 -2.516 8.344 1.00 0.00 N ATOM 205 CA LYS A 17 -3.984 -2.642 9.755 1.00 0.00 C ATOM 206 C LYS A 17 -4.841 -1.467 10.213 1.00 0.00 C ATOM 207 O LYS A 17 -4.874 -0.422 9.565 1.00 0.00 O ATOM 208 CB LYS A 17 -2.714 -2.722 10.605 1.00 0.00 C ATOM 209 CG LYS A 17 -1.786 -3.857 10.207 1.00 0.00 C ATOM 210 CD LYS A 17 -0.810 -4.197 11.321 1.00 0.00 C ATOM 211 CE LYS A 17 -0.261 -5.607 11.170 1.00 0.00 C ATOM 212 NZ LYS A 17 0.362 -6.098 12.431 1.00 0.00 N ATOM 0 H LYS A 17 -2.950 -1.793 8.141 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.558 -3.560 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.174 -1.778 10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.994 -2.843 11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.375 -4.739 9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.233 -3.578 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.013 -3.482 11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.309 -4.101 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.066 -6.281 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.478 -5.625 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.724 -7.062 12.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.147 -5.470 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.349 -6.105 13.190 1.00 0.00 H new ATOM 226 N GLU A 18 -5.533 -1.646 11.335 1.00 0.00 N ATOM 227 CA GLU A 18 -6.389 -0.599 11.879 1.00 0.00 C ATOM 228 C GLU A 18 -7.360 -0.085 10.819 1.00 0.00 C ATOM 229 O GLU A 18 -7.642 1.111 10.747 1.00 0.00 O ATOM 230 CB GLU A 18 -5.542 0.557 12.414 1.00 0.00 C ATOM 231 CG GLU A 18 -4.466 0.120 13.393 1.00 0.00 C ATOM 232 CD GLU A 18 -4.960 0.084 14.826 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.360 1.149 15.342 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.948 -1.008 15.431 1.00 0.00 O ATOM 0 H GLU A 18 -5.517 -2.506 11.884 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.966 -1.026 12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.072 1.070 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.195 1.279 12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.105 -0.869 13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.618 0.801 13.322 1.00 0.00 H new ATOM 241 N VAL A 19 -7.867 -0.998 9.997 1.00 0.00 N ATOM 242 CA VAL A 19 -8.806 -0.639 8.941 1.00 0.00 C ATOM 243 C VAL A 19 -10.132 -0.162 9.524 1.00 0.00 C ATOM 244 O VAL A 19 -10.808 -0.898 10.243 1.00 0.00 O ATOM 245 CB VAL A 19 -9.071 -1.827 7.997 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.116 -1.458 6.955 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.779 -2.276 7.332 1.00 0.00 C ATOM 0 H VAL A 19 -7.643 -1.992 10.042 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.349 0.171 8.373 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.458 -2.658 8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.290 -2.309 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.047 -1.188 7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.761 -0.612 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.984 -3.116 6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.361 -1.451 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.064 -2.583 8.096 1.00 0.00 H new ATOM 257 N THR A 20 -10.500 1.077 9.208 1.00 0.00 N ATOM 258 CA THR A 20 -11.744 1.653 9.700 1.00 0.00 C ATOM 259 C THR A 20 -12.428 2.486 8.622 1.00 0.00 C ATOM 260 O THR A 20 -11.803 2.937 7.662 1.00 0.00 O ATOM 261 CB THR A 20 -11.503 2.536 10.939 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.214 3.155 10.857 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.595 1.714 12.216 1.00 0.00 C ATOM 0 H THR A 20 -9.953 1.700 8.613 1.00 0.00 H new ATOM 0 HA THR A 20 -12.390 0.820 9.977 1.00 0.00 H new ATOM 0 HB THR A 20 -12.275 3.306 10.964 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.021 3.387 9.925 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.421 2.359 13.077 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.587 1.268 12.291 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.843 0.925 12.196 1.00 0.00 H new ATOM 271 N PRO A 21 -13.743 2.698 8.782 1.00 0.00 N ATOM 272 CA PRO A 21 -14.540 3.480 7.833 1.00 0.00 C ATOM 273 C PRO A 21 -14.197 4.965 7.872 1.00 0.00 C ATOM 274 O PRO A 21 -14.799 5.770 7.161 1.00 0.00 O ATOM 275 CB PRO A 21 -15.979 3.251 8.304 1.00 0.00 C ATOM 276 CG PRO A 21 -15.855 2.927 9.753 1.00 0.00 C ATOM 277 CD PRO A 21 -14.552 2.191 9.903 1.00 0.00 C ATOM 0 HA PRO A 21 -14.360 3.174 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.593 4.138 8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.451 2.436 7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.863 3.834 10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.691 2.313 10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.082 2.398 10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.691 1.112 9.842 1.00 0.00 H new ATOM 285 N ARG A 22 -13.226 5.321 8.707 1.00 0.00 N ATOM 286 CA ARG A 22 -12.804 6.710 8.839 1.00 0.00 C ATOM 287 C ARG A 22 -11.354 6.882 8.395 1.00 0.00 C ATOM 288 O ARG A 22 -10.932 7.977 8.023 1.00 0.00 O ATOM 289 CB ARG A 22 -12.964 7.179 10.286 1.00 0.00 C ATOM 290 CG ARG A 22 -14.395 7.536 10.655 1.00 0.00 C ATOM 291 CD ARG A 22 -14.714 8.984 10.316 1.00 0.00 C ATOM 292 NE ARG A 22 -15.837 9.494 11.097 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.336 10.717 10.954 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.814 11.550 10.065 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.360 11.108 11.702 1.00 0.00 N ATOM 0 H ARG A 22 -12.717 4.667 9.302 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.438 7.319 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.610 6.394 10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.328 8.049 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.083 6.877 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.550 7.368 11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.835 9.601 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.945 9.065 9.254 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.262 8.878 11.790 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.027 11.253 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.199 12.488 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.764 10.470 12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.743 12.047 11.592 1.00 0.00 H new ATOM 309 N THR A 23 -10.594 5.792 8.439 1.00 0.00 N ATOM 310 CA THR A 23 -9.191 5.821 8.043 1.00 0.00 C ATOM 311 C THR A 23 -8.638 4.411 7.875 1.00 0.00 C ATOM 312 O THR A 23 -9.210 3.445 8.378 1.00 0.00 O ATOM 313 CB THR A 23 -8.333 6.577 9.075 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.780 6.274 10.401 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.404 8.079 8.841 1.00 0.00 C ATOM 0 H THR A 23 -10.927 4.878 8.745 1.00 0.00 H new ATOM 0 HA THR A 23 -9.142 6.343 7.088 1.00 0.00 H new ATOM 0 HB THR A 23 -7.298 6.255 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.228 6.757 11.051 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.790 8.592 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.035 8.309 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.438 8.413 8.932 1.00 0.00 H new ATOM 323 N ALA A 24 -7.520 4.300 7.164 1.00 0.00 N ATOM 324 CA ALA A 24 -6.888 3.008 6.932 1.00 0.00 C ATOM 325 C ALA A 24 -5.369 3.116 7.018 1.00 0.00 C ATOM 326 O ALA A 24 -4.760 3.970 6.371 1.00 0.00 O ATOM 327 CB ALA A 24 -7.303 2.453 5.577 1.00 0.00 C ATOM 0 H ALA A 24 -7.034 5.090 6.739 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.222 2.323 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.823 1.487 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.386 2.329 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.998 3.144 4.792 1.00 0.00 H new ATOM 333 N LEU A 25 -4.763 2.247 7.819 1.00 0.00 N ATOM 334 CA LEU A 25 -3.314 2.246 7.990 1.00 0.00 C ATOM 335 C LEU A 25 -2.692 1.007 7.354 1.00 0.00 C ATOM 336 O LEU A 25 -3.138 -0.116 7.592 1.00 0.00 O ATOM 337 CB LEU A 25 -2.956 2.305 9.477 1.00 0.00 C ATOM 338 CG LEU A 25 -1.503 1.985 9.830 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.651 3.243 9.769 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.418 1.348 11.209 1.00 0.00 C ATOM 0 H LEU A 25 -5.252 1.534 8.360 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.913 3.128 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.187 3.304 9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.601 1.609 10.014 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.119 1.274 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.380 2.997 10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.687 3.659 8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.034 3.977 10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.377 1.127 11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.820 2.036 11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.996 0.424 11.219 1.00 0.00 H new ATOM 352 N LEU A 26 -1.658 1.219 6.547 1.00 0.00 N ATOM 353 CA LEU A 26 -0.972 0.119 5.878 1.00 0.00 C ATOM 354 C LEU A 26 0.471 0.005 6.358 1.00 0.00 C ATOM 355 O LEU A 26 1.209 0.992 6.382 1.00 0.00 O ATOM 356 CB LEU A 26 -1.004 0.318 4.362 1.00 0.00 C ATOM 357 CG LEU A 26 -2.201 -0.291 3.630 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.501 0.488 2.359 1.00 0.00 C ATOM 359 CD2 LEU A 26 -1.941 -1.756 3.311 1.00 0.00 C ATOM 0 H LEU A 26 -1.276 2.142 6.340 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.492 -0.806 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.983 1.388 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.092 -0.105 3.941 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.072 -0.231 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.355 0.041 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.731 1.523 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.632 0.460 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.803 -2.173 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.058 -1.839 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.775 -2.306 4.237 1.00 0.00 H new ATOM 371 N THR A 27 0.871 -1.205 6.737 1.00 0.00 N ATOM 372 CA THR A 27 2.226 -1.448 7.214 1.00 0.00 C ATOM 373 C THR A 27 2.970 -2.407 6.293 1.00 0.00 C ATOM 374 O THR A 27 2.365 -3.283 5.675 1.00 0.00 O ATOM 375 CB THR A 27 2.224 -2.024 8.643 1.00 0.00 C ATOM 376 OG1 THR A 27 1.595 -3.311 8.651 1.00 0.00 O ATOM 377 CG2 THR A 27 1.496 -1.093 9.601 1.00 0.00 C ATOM 0 H THR A 27 0.275 -2.032 6.723 1.00 0.00 H new ATOM 0 HA THR A 27 2.736 -0.485 7.219 1.00 0.00 H new ATOM 0 HB THR A 27 3.258 -2.123 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.599 -3.671 9.562 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.508 -1.521 10.603 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.994 -0.123 9.615 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.464 -0.967 9.272 1.00 0.00 H new ATOM 385 N TRP A 28 4.284 -2.236 6.205 1.00 0.00 N ATOM 386 CA TRP A 28 5.111 -3.089 5.358 1.00 0.00 C ATOM 387 C TRP A 28 6.511 -3.242 5.942 1.00 0.00 C ATOM 388 O TRP A 28 6.932 -2.452 6.788 1.00 0.00 O ATOM 389 CB TRP A 28 5.194 -2.511 3.945 1.00 0.00 C ATOM 390 CG TRP A 28 5.974 -1.233 3.870 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.322 -1.105 3.689 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.453 0.096 3.977 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.670 0.224 3.677 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.541 0.981 3.851 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.173 0.625 4.165 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.386 2.364 3.908 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.021 1.997 4.222 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.122 2.854 4.093 1.00 0.00 C ATOM 0 H TRP A 28 4.800 -1.515 6.709 1.00 0.00 H new ATOM 0 HA TRP A 28 4.647 -4.074 5.313 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.653 -3.247 3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.185 -2.335 3.573 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.012 -1.927 3.573 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.615 0.588 3.558 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.318 -0.027 4.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.234 3.026 3.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.037 2.416 4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.970 3.922 4.141 1.00 0.00 H new ATOM 409 N THR A 29 7.229 -4.263 5.485 1.00 0.00 N ATOM 410 CA THR A 29 8.582 -4.520 5.963 1.00 0.00 C ATOM 411 C THR A 29 9.614 -3.794 5.108 1.00 0.00 C ATOM 412 O THR A 29 9.586 -3.878 3.881 1.00 0.00 O ATOM 413 CB THR A 29 8.901 -6.027 5.963 1.00 0.00 C ATOM 414 OG1 THR A 29 8.152 -6.687 6.989 1.00 0.00 O ATOM 415 CG2 THR A 29 10.388 -6.265 6.181 1.00 0.00 C ATOM 0 H THR A 29 6.896 -4.925 4.784 1.00 0.00 H new ATOM 0 HA THR A 29 8.633 -4.145 6.985 1.00 0.00 H new ATOM 0 HB THR A 29 8.622 -6.435 4.991 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.060 -7.637 6.767 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.589 -7.336 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.954 -5.786 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.687 -5.843 7.140 1.00 0.00 H new ATOM 423 N GLU A 30 10.524 -3.081 5.765 1.00 0.00 N ATOM 424 CA GLU A 30 11.565 -2.340 5.063 1.00 0.00 C ATOM 425 C GLU A 30 12.557 -3.291 4.400 1.00 0.00 C ATOM 426 O GLU A 30 13.086 -4.211 5.024 1.00 0.00 O ATOM 427 CB GLU A 30 12.302 -1.411 6.031 1.00 0.00 C ATOM 428 CG GLU A 30 12.682 -0.073 5.420 1.00 0.00 C ATOM 429 CD GLU A 30 14.072 -0.083 4.812 1.00 0.00 C ATOM 430 OE1 GLU A 30 14.260 -0.752 3.775 1.00 0.00 O ATOM 431 OE2 GLU A 30 14.970 0.578 5.374 1.00 0.00 O ATOM 0 H GLU A 30 10.561 -3.001 6.781 1.00 0.00 H new ATOM 0 HA GLU A 30 11.088 -1.741 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.673 -1.237 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.205 -1.910 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.955 0.191 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.630 0.700 6.187 1.00 0.00 H new ATOM 438 N PRO A 31 12.816 -3.066 3.103 1.00 0.00 N ATOM 439 CA PRO A 31 13.745 -3.891 2.326 1.00 0.00 C ATOM 440 C PRO A 31 15.195 -3.689 2.752 1.00 0.00 C ATOM 441 O PRO A 31 15.526 -2.767 3.497 1.00 0.00 O ATOM 442 CB PRO A 31 13.537 -3.404 0.890 1.00 0.00 C ATOM 443 CG PRO A 31 13.037 -2.008 1.032 1.00 0.00 C ATOM 444 CD PRO A 31 12.222 -1.987 2.296 1.00 0.00 C ATOM 0 HA PRO A 31 13.555 -4.956 2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.467 -3.436 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.819 -4.030 0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.865 -1.301 1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.431 -1.721 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.289 -1.024 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.166 -2.169 2.096 1.00 0.00 H new ATOM 452 N PRO A 32 16.084 -4.570 2.267 1.00 0.00 N ATOM 453 CA PRO A 32 17.514 -4.507 2.584 1.00 0.00 C ATOM 454 C PRO A 32 18.199 -3.310 1.934 1.00 0.00 C ATOM 455 O PRO A 32 19.386 -3.067 2.155 1.00 0.00 O ATOM 456 CB PRO A 32 18.062 -5.815 2.007 1.00 0.00 C ATOM 457 CG PRO A 32 17.110 -6.179 0.921 1.00 0.00 C ATOM 458 CD PRO A 32 15.760 -5.694 1.373 1.00 0.00 C ATOM 0 HA PRO A 32 17.690 -4.389 3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.073 -5.684 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.111 -6.594 2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.397 -5.713 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.102 -7.256 0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.145 -5.374 0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.206 -6.475 1.894 1.00 0.00 H new ATOM 466 N VAL A 33 17.445 -2.565 1.133 1.00 0.00 N ATOM 467 CA VAL A 33 17.980 -1.391 0.453 1.00 0.00 C ATOM 468 C VAL A 33 17.052 -0.193 0.612 1.00 0.00 C ATOM 469 O VAL A 33 15.975 -0.145 0.016 1.00 0.00 O ATOM 470 CB VAL A 33 18.197 -1.663 -1.048 1.00 0.00 C ATOM 471 CG1 VAL A 33 18.800 -0.444 -1.729 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.080 -2.886 -1.245 1.00 0.00 C ATOM 0 H VAL A 33 16.462 -2.753 0.939 1.00 0.00 H new ATOM 0 HA VAL A 33 18.940 -1.166 0.917 1.00 0.00 H new ATOM 0 HB VAL A 33 17.229 -1.864 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.946 -0.654 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.126 0.406 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.760 -0.208 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.223 -3.064 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.047 -2.716 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.603 -3.756 -0.793 1.00 0.00 H new ATOM 482 N ARG A 34 17.476 0.774 1.419 1.00 0.00 N ATOM 483 CA ARG A 34 16.682 1.974 1.657 1.00 0.00 C ATOM 484 C ARG A 34 16.434 2.729 0.355 1.00 0.00 C ATOM 485 O ARG A 34 17.356 3.241 -0.280 1.00 0.00 O ATOM 486 CB ARG A 34 17.387 2.886 2.662 1.00 0.00 C ATOM 487 CG ARG A 34 16.553 4.085 3.086 1.00 0.00 C ATOM 488 CD ARG A 34 16.977 4.604 4.450 1.00 0.00 C ATOM 489 NE ARG A 34 18.091 5.544 4.357 1.00 0.00 N ATOM 490 CZ ARG A 34 18.598 6.190 5.401 1.00 0.00 C ATOM 491 NH1 ARG A 34 18.093 5.997 6.612 1.00 0.00 N ATOM 492 NH2 ARG A 34 19.612 7.029 5.235 1.00 0.00 N ATOM 0 H ARG A 34 18.365 0.750 1.919 1.00 0.00 H new ATOM 0 HA ARG A 34 15.720 1.667 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.648 2.305 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.321 3.240 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.653 4.879 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.500 3.806 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.130 5.093 4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.263 3.765 5.084 1.00 0.00 H new ATOM 0 HE ARG A 34 18.503 5.714 3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.314 5.352 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.484 6.494 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 34 20.003 7.179 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.001 7.525 6.037 1.00 0.00 H new ATOM 506 N PRO A 35 15.159 2.800 -0.055 1.00 0.00 N ATOM 507 CA PRO A 35 14.759 3.490 -1.285 1.00 0.00 C ATOM 508 C PRO A 35 14.911 5.004 -1.176 1.00 0.00 C ATOM 509 O PRO A 35 14.919 5.558 -0.077 1.00 0.00 O ATOM 510 CB PRO A 35 13.285 3.111 -1.442 1.00 0.00 C ATOM 511 CG PRO A 35 12.823 2.805 -0.059 1.00 0.00 C ATOM 512 CD PRO A 35 14.008 2.212 0.652 1.00 0.00 C ATOM 0 HA PRO A 35 15.380 3.202 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.711 3.928 -1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.166 2.249 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.477 3.707 0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.986 2.106 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.012 2.470 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.011 1.124 0.589 1.00 0.00 H new ATOM 520 N ALA A 36 15.031 5.666 -2.321 1.00 0.00 N ATOM 521 CA ALA A 36 15.180 7.116 -2.354 1.00 0.00 C ATOM 522 C ALA A 36 13.855 7.811 -2.060 1.00 0.00 C ATOM 523 O ALA A 36 13.825 8.878 -1.448 1.00 0.00 O ATOM 524 CB ALA A 36 15.723 7.560 -3.704 1.00 0.00 C ATOM 0 H ALA A 36 15.028 5.221 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 36 15.890 7.401 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.829 8.645 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.696 7.098 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.034 7.255 -4.491 1.00 0.00 H new ATOM 530 N GLY A 37 12.760 7.198 -2.500 1.00 0.00 N ATOM 531 CA GLY A 37 11.447 7.773 -2.275 1.00 0.00 C ATOM 532 C GLY A 37 10.340 6.740 -2.355 1.00 0.00 C ATOM 533 O GLY A 37 10.539 5.647 -2.885 1.00 0.00 O ATOM 0 H GLY A 37 12.759 6.314 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.425 8.249 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.265 8.554 -3.013 1.00 0.00 H new ATOM 537 N TYR A 38 9.171 7.086 -1.827 1.00 0.00 N ATOM 538 CA TYR A 38 8.030 6.179 -1.838 1.00 0.00 C ATOM 539 C TYR A 38 6.849 6.798 -2.580 1.00 0.00 C ATOM 540 O TYR A 38 6.546 7.980 -2.414 1.00 0.00 O ATOM 541 CB TYR A 38 7.619 5.827 -0.407 1.00 0.00 C ATOM 542 CG TYR A 38 8.440 4.714 0.202 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.716 3.555 -0.513 1.00 0.00 C ATOM 544 CD2 TYR A 38 8.942 4.821 1.494 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.466 2.535 0.040 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.694 3.807 2.054 1.00 0.00 C ATOM 547 CZ TYR A 38 9.953 2.666 1.324 1.00 0.00 C ATOM 548 OH TYR A 38 10.701 1.653 1.878 1.00 0.00 O ATOM 0 H TYR A 38 8.989 7.988 -1.386 1.00 0.00 H new ATOM 0 HA TYR A 38 8.326 5.269 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.708 6.716 0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.568 5.537 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.337 3.450 -1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.740 5.712 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.670 1.640 -0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.077 3.907 3.059 1.00 0.00 H new ATOM 0 HH TYR A 38 10.968 1.903 2.787 1.00 0.00 H new ATOM 558 N LEU A 39 6.186 5.990 -3.400 1.00 0.00 N ATOM 559 CA LEU A 39 5.037 6.456 -4.169 1.00 0.00 C ATOM 560 C LEU A 39 3.814 5.584 -3.904 1.00 0.00 C ATOM 561 O LEU A 39 3.688 4.489 -4.454 1.00 0.00 O ATOM 562 CB LEU A 39 5.364 6.454 -5.664 1.00 0.00 C ATOM 563 CG LEU A 39 4.214 6.821 -6.603 1.00 0.00 C ATOM 564 CD1 LEU A 39 4.186 8.322 -6.850 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.337 6.065 -7.917 1.00 0.00 C ATOM 0 H LEU A 39 6.424 5.010 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 39 4.810 7.474 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.184 7.151 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.726 5.462 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 39 3.276 6.534 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.362 8.565 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.050 8.844 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.127 8.634 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.510 6.338 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.281 6.321 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.308 4.993 -7.724 1.00 0.00 H new ATOM 577 N LEU A 40 2.915 6.076 -3.059 1.00 0.00 N ATOM 578 CA LEU A 40 1.700 5.343 -2.722 1.00 0.00 C ATOM 579 C LEU A 40 0.535 5.786 -3.601 1.00 0.00 C ATOM 580 O LEU A 40 0.127 6.947 -3.571 1.00 0.00 O ATOM 581 CB LEU A 40 1.348 5.550 -1.248 1.00 0.00 C ATOM 582 CG LEU A 40 0.231 4.665 -0.693 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.760 3.275 -0.374 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.388 5.299 0.544 1.00 0.00 C ATOM 0 H LEU A 40 3.005 6.980 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 40 1.884 4.283 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.246 5.382 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.062 6.592 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.544 4.571 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.049 2.659 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.154 2.819 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.554 3.350 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.181 4.655 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.377 5.424 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.804 6.272 0.284 1.00 0.00 H new ATOM 596 N SER A 41 0.002 4.852 -4.383 1.00 0.00 N ATOM 597 CA SER A 41 -1.116 5.147 -5.272 1.00 0.00 C ATOM 598 C SER A 41 -2.364 4.378 -4.850 1.00 0.00 C ATOM 599 O SER A 41 -2.401 3.149 -4.914 1.00 0.00 O ATOM 600 CB SER A 41 -0.752 4.796 -6.716 1.00 0.00 C ATOM 601 OG SER A 41 0.215 5.696 -7.232 1.00 0.00 O ATOM 0 H SER A 41 0.326 3.886 -4.419 1.00 0.00 H new ATOM 0 HA SER A 41 -1.328 6.214 -5.206 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.365 3.778 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.647 4.824 -7.337 1.00 0.00 H new ATOM 0 HG SER A 41 1.026 5.654 -6.684 1.00 0.00 H new ATOM 607 N PHE A 42 -3.384 5.110 -4.417 1.00 0.00 N ATOM 608 CA PHE A 42 -4.635 4.499 -3.982 1.00 0.00 C ATOM 609 C PHE A 42 -5.810 5.023 -4.802 1.00 0.00 C ATOM 610 O PHE A 42 -6.083 6.223 -4.820 1.00 0.00 O ATOM 611 CB PHE A 42 -4.872 4.774 -2.496 1.00 0.00 C ATOM 612 CG PHE A 42 -5.442 6.136 -2.222 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.667 7.272 -2.387 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.754 6.280 -1.800 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.190 8.527 -2.135 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.282 7.532 -1.546 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.499 8.657 -1.715 1.00 0.00 C ATOM 0 H PHE A 42 -3.369 6.128 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.558 3.423 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.550 4.019 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.929 4.669 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.643 7.177 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.371 5.404 -1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.575 9.405 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.306 7.630 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.910 9.636 -1.519 1.00 0.00 H new ATOM 627 N HIS A 43 -6.504 4.113 -5.479 1.00 0.00 N ATOM 628 CA HIS A 43 -7.651 4.482 -6.301 1.00 0.00 C ATOM 629 C HIS A 43 -8.918 3.791 -5.808 1.00 0.00 C ATOM 630 O HIS A 43 -8.855 2.759 -5.138 1.00 0.00 O ATOM 631 CB HIS A 43 -7.394 4.119 -7.764 1.00 0.00 C ATOM 632 CG HIS A 43 -7.784 2.715 -8.110 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.521 1.637 -7.290 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.421 2.214 -9.194 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.979 0.535 -7.856 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.530 0.858 -9.012 1.00 0.00 N ATOM 0 H HIS A 43 -6.292 3.115 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.792 5.560 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.945 4.809 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.335 4.258 -7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.777 2.777 -10.044 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.914 -0.461 -7.444 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.966 0.206 -9.664 1.00 0.00 H new ATOM 645 N THR A 44 -10.069 4.366 -6.142 1.00 0.00 N ATOM 646 CA THR A 44 -11.351 3.806 -5.732 1.00 0.00 C ATOM 647 C THR A 44 -11.988 3.006 -6.862 1.00 0.00 C ATOM 648 O THR A 44 -11.749 3.256 -8.043 1.00 0.00 O ATOM 649 CB THR A 44 -12.328 4.910 -5.284 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.095 5.368 -6.403 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.577 6.079 -4.665 1.00 0.00 C ATOM 0 H THR A 44 -10.140 5.220 -6.696 1.00 0.00 H new ATOM 0 HA THR A 44 -11.152 3.143 -4.890 1.00 0.00 H new ATOM 0 HB THR A 44 -12.997 4.490 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.715 6.068 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.288 6.846 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.017 5.733 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.887 6.497 -5.398 1.00 0.00 H new ATOM 659 N PRO A 45 -12.820 2.020 -6.493 1.00 0.00 N ATOM 660 CA PRO A 45 -13.511 1.164 -7.462 1.00 0.00 C ATOM 661 C PRO A 45 -14.587 1.916 -8.237 1.00 0.00 C ATOM 662 O PRO A 45 -15.772 1.827 -7.918 1.00 0.00 O ATOM 663 CB PRO A 45 -14.141 0.077 -6.588 1.00 0.00 C ATOM 664 CG PRO A 45 -14.304 0.713 -5.251 1.00 0.00 C ATOM 665 CD PRO A 45 -13.151 1.666 -5.103 1.00 0.00 C ATOM 0 HA PRO A 45 -12.832 0.778 -8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.100 -0.249 -6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.503 -0.805 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.256 1.239 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.296 -0.036 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.428 2.544 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.307 1.199 -4.595 1.00 0.00 H new ATOM 704 N THR A 49 -8.013 8.031 -10.021 1.00 0.00 N ATOM 705 CA THR A 49 -6.817 7.580 -9.320 1.00 0.00 C ATOM 706 C THR A 49 -6.014 8.761 -8.787 1.00 0.00 C ATOM 707 O THR A 49 -5.830 9.761 -9.481 1.00 0.00 O ATOM 708 CB THR A 49 -5.915 6.733 -10.237 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.670 5.663 -10.816 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.735 6.166 -9.461 1.00 0.00 C ATOM 0 HA THR A 49 -7.153 6.966 -8.484 1.00 0.00 H new ATOM 0 HB THR A 49 -5.533 7.377 -11.029 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.576 5.975 -11.021 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.112 5.571 -10.129 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.145 6.984 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.101 5.536 -8.650 1.00 0.00 H new ATOM 718 N GLN A 50 -5.538 8.639 -7.552 1.00 0.00 N ATOM 719 CA GLN A 50 -4.755 9.697 -6.927 1.00 0.00 C ATOM 720 C GLN A 50 -3.368 9.193 -6.542 1.00 0.00 C ATOM 721 O GLN A 50 -3.196 8.025 -6.197 1.00 0.00 O ATOM 722 CB GLN A 50 -5.478 10.233 -5.690 1.00 0.00 C ATOM 723 CG GLN A 50 -4.688 11.289 -4.933 1.00 0.00 C ATOM 724 CD GLN A 50 -5.576 12.214 -4.125 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.760 11.939 -3.925 1.00 0.00 O ATOM 726 NE2 GLN A 50 -5.008 13.318 -3.654 1.00 0.00 N ATOM 0 H GLN A 50 -5.681 7.817 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.640 10.505 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.436 10.656 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.695 9.403 -5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.979 10.798 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.105 11.878 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.024 13.506 -3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.556 13.978 -3.102 1.00 0.00 H new ATOM 735 N GLU A 51 -2.382 10.083 -6.603 1.00 0.00 N ATOM 736 CA GLU A 51 -1.010 9.727 -6.261 1.00 0.00 C ATOM 737 C GLU A 51 -0.514 10.548 -5.074 1.00 0.00 C ATOM 738 O GLU A 51 -0.765 11.750 -4.990 1.00 0.00 O ATOM 739 CB GLU A 51 -0.089 9.942 -7.464 1.00 0.00 C ATOM 740 CG GLU A 51 -0.383 9.012 -8.630 1.00 0.00 C ATOM 741 CD GLU A 51 0.672 9.086 -9.716 1.00 0.00 C ATOM 742 OE1 GLU A 51 0.840 10.173 -10.306 1.00 0.00 O ATOM 743 OE2 GLU A 51 1.330 8.057 -9.975 1.00 0.00 O ATOM 0 H GLU A 51 -2.508 11.055 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.994 8.673 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.181 10.974 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.945 9.801 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.451 7.987 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.355 9.264 -9.055 1.00 0.00 H new ATOM 750 N ILE A 52 0.190 9.889 -4.160 1.00 0.00 N ATOM 751 CA ILE A 52 0.722 10.557 -2.979 1.00 0.00 C ATOM 752 C ILE A 52 2.245 10.499 -2.953 1.00 0.00 C ATOM 753 O ILE A 52 2.846 9.495 -3.338 1.00 0.00 O ATOM 754 CB ILE A 52 0.173 9.930 -1.683 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.322 9.640 -1.824 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.431 10.850 -0.499 1.00 0.00 C ATOM 757 CD1 ILE A 52 -1.841 8.637 -0.818 1.00 0.00 C ATOM 0 H ILE A 52 0.405 8.893 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 52 0.402 11.598 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 52 0.691 8.988 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.876 10.572 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.518 9.268 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.037 10.393 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.504 11.010 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.063 11.807 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.908 8.480 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.313 7.691 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.677 9.015 0.191 1.00 0.00 H new ATOM 769 N LEU A 53 2.865 11.581 -2.495 1.00 0.00 N ATOM 770 CA LEU A 53 4.320 11.654 -2.417 1.00 0.00 C ATOM 771 C LEU A 53 4.800 11.437 -0.985 1.00 0.00 C ATOM 772 O LEU A 53 4.850 12.375 -0.188 1.00 0.00 O ATOM 773 CB LEU A 53 4.811 13.007 -2.933 1.00 0.00 C ATOM 774 CG LEU A 53 6.215 13.025 -3.540 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.244 12.569 -2.518 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.269 12.148 -4.782 1.00 0.00 C ATOM 0 H LEU A 53 2.383 12.420 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 53 4.733 10.863 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.107 13.364 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.784 13.719 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 53 6.452 14.048 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.237 12.588 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.223 13.237 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.011 11.554 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.275 12.172 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.012 11.123 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.559 12.520 -5.521 1.00 0.00 H new ATOM 788 N LEU A 54 5.153 10.197 -0.666 1.00 0.00 N ATOM 789 CA LEU A 54 5.632 9.858 0.670 1.00 0.00 C ATOM 790 C LEU A 54 7.024 10.433 0.912 1.00 0.00 C ATOM 791 O LEU A 54 7.764 10.746 -0.021 1.00 0.00 O ATOM 792 CB LEU A 54 5.655 8.339 0.854 1.00 0.00 C ATOM 793 CG LEU A 54 4.353 7.702 1.338 1.00 0.00 C ATOM 794 CD1 LEU A 54 3.282 7.791 0.262 1.00 0.00 C ATOM 795 CD2 LEU A 54 4.586 6.253 1.741 1.00 0.00 C ATOM 0 H LEU A 54 5.117 9.410 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 54 4.948 10.296 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.928 7.882 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.443 8.091 1.565 1.00 0.00 H new ATOM 0 HG LEU A 54 4.006 8.251 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.362 7.332 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.095 8.837 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.620 7.267 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.648 5.815 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.957 5.692 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.320 6.213 2.546 1.00 0.00 H new ATOM 807 N PRO A 55 7.391 10.574 2.194 1.00 0.00 N ATOM 808 CA PRO A 55 8.697 11.108 2.589 1.00 0.00 C ATOM 809 C PRO A 55 9.838 10.150 2.265 1.00 0.00 C ATOM 810 O PRO A 55 11.011 10.501 2.390 1.00 0.00 O ATOM 811 CB PRO A 55 8.564 11.289 4.103 1.00 0.00 C ATOM 812 CG PRO A 55 7.520 10.307 4.511 1.00 0.00 C ATOM 813 CD PRO A 55 6.560 10.221 3.357 1.00 0.00 C ATOM 0 HA PRO A 55 8.939 12.027 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.509 11.095 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.270 12.308 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.962 9.334 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.011 10.632 5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.137 9.221 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.724 10.910 3.478 1.00 0.00 H new ATOM 821 N GLY A 56 9.486 8.937 1.849 1.00 0.00 N ATOM 822 CA GLY A 56 10.493 7.947 1.513 1.00 0.00 C ATOM 823 C GLY A 56 11.378 7.598 2.693 1.00 0.00 C ATOM 824 O GLY A 56 12.454 8.171 2.861 1.00 0.00 O ATOM 0 H GLY A 56 8.522 8.622 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.003 7.043 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.111 8.324 0.698 1.00 0.00 H new ATOM 828 N GLY A 57 10.924 6.655 3.514 1.00 0.00 N ATOM 829 CA GLY A 57 11.695 6.248 4.674 1.00 0.00 C ATOM 830 C GLY A 57 10.817 5.910 5.863 1.00 0.00 C ATOM 831 O GLY A 57 11.120 6.290 6.994 1.00 0.00 O ATOM 0 H GLY A 57 10.037 6.166 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.303 5.381 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.382 7.048 4.949 1.00 0.00 H new ATOM 835 N ILE A 58 9.727 5.195 5.607 1.00 0.00 N ATOM 836 CA ILE A 58 8.803 4.806 6.665 1.00 0.00 C ATOM 837 C ILE A 58 8.390 3.345 6.525 1.00 0.00 C ATOM 838 O ILE A 58 8.725 2.684 5.541 1.00 0.00 O ATOM 839 CB ILE A 58 7.540 5.687 6.661 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.615 5.286 5.510 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.919 7.157 6.555 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.404 6.181 5.368 1.00 0.00 C ATOM 0 H ILE A 58 9.462 4.873 4.676 1.00 0.00 H new ATOM 0 HA ILE A 58 9.329 4.943 7.610 1.00 0.00 H new ATOM 0 HB ILE A 58 7.007 5.536 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.180 5.302 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.282 4.259 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.015 7.767 6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.542 7.434 7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.471 7.325 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.794 5.838 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.816 6.146 6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.728 7.205 5.183 1.00 0.00 H new ATOM 854 N THR A 59 7.658 2.844 7.515 1.00 0.00 N ATOM 855 CA THR A 59 7.198 1.462 7.503 1.00 0.00 C ATOM 856 C THR A 59 5.677 1.388 7.555 1.00 0.00 C ATOM 857 O THR A 59 5.093 0.312 7.423 1.00 0.00 O ATOM 858 CB THR A 59 7.780 0.665 8.686 1.00 0.00 C ATOM 859 OG1 THR A 59 7.364 1.252 9.924 1.00 0.00 O ATOM 860 CG2 THR A 59 9.300 0.632 8.620 1.00 0.00 C ATOM 0 H THR A 59 7.371 3.376 8.336 1.00 0.00 H new ATOM 0 HA THR A 59 7.549 1.021 6.570 1.00 0.00 H new ATOM 0 HB THR A 59 7.407 -0.357 8.626 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.737 0.739 10.671 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.689 0.064 9.465 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.614 0.159 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.688 1.650 8.658 1.00 0.00 H new ATOM 868 N SER A 60 5.039 2.538 7.748 1.00 0.00 N ATOM 869 CA SER A 60 3.584 2.603 7.821 1.00 0.00 C ATOM 870 C SER A 60 3.081 3.983 7.410 1.00 0.00 C ATOM 871 O SER A 60 3.620 5.005 7.835 1.00 0.00 O ATOM 872 CB SER A 60 3.108 2.275 9.237 1.00 0.00 C ATOM 873 OG SER A 60 3.869 2.975 10.206 1.00 0.00 O ATOM 0 H SER A 60 5.507 3.438 7.857 1.00 0.00 H new ATOM 0 HA SER A 60 3.177 1.866 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.055 2.536 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.189 1.202 9.412 1.00 0.00 H new ATOM 0 HG SER A 60 3.544 2.749 11.103 1.00 0.00 H new ATOM 879 N HIS A 61 2.043 4.004 6.579 1.00 0.00 N ATOM 880 CA HIS A 61 1.465 5.259 6.110 1.00 0.00 C ATOM 881 C HIS A 61 -0.006 5.359 6.503 1.00 0.00 C ATOM 882 O HIS A 61 -0.723 4.360 6.517 1.00 0.00 O ATOM 883 CB HIS A 61 1.609 5.375 4.593 1.00 0.00 C ATOM 884 CG HIS A 61 1.726 6.788 4.109 1.00 0.00 C ATOM 885 ND1 HIS A 61 1.070 7.256 2.990 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.426 7.837 4.599 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.363 8.532 2.812 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.184 8.909 3.776 1.00 0.00 N ATOM 0 H HIS A 61 1.585 3.167 6.217 1.00 0.00 H new ATOM 0 HA HIS A 61 2.006 6.079 6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.490 4.817 4.276 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.747 4.907 4.118 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.058 7.832 5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.994 9.160 2.014 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.575 9.844 3.890 1.00 0.00 H new ATOM 897 N GLN A 62 -0.447 6.572 6.821 1.00 0.00 N ATOM 898 CA GLN A 62 -1.832 6.802 7.215 1.00 0.00 C ATOM 899 C GLN A 62 -2.640 7.373 6.054 1.00 0.00 C ATOM 900 O GLN A 62 -2.289 8.410 5.490 1.00 0.00 O ATOM 901 CB GLN A 62 -1.893 7.753 8.411 1.00 0.00 C ATOM 902 CG GLN A 62 -3.213 7.700 9.164 1.00 0.00 C ATOM 903 CD GLN A 62 -4.396 7.449 8.250 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.802 8.326 7.486 1.00 0.00 O ATOM 905 NE2 GLN A 62 -4.957 6.248 8.323 1.00 0.00 N ATOM 0 H GLN A 62 0.134 7.410 6.814 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.267 5.844 7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.082 7.511 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.723 8.772 8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.166 6.913 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.362 8.640 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.588 5.551 8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.757 6.022 7.732 1.00 0.00 H new ATOM 914 N LEU A 63 -3.725 6.691 5.703 1.00 0.00 N ATOM 915 CA LEU A 63 -4.584 7.130 4.609 1.00 0.00 C ATOM 916 C LEU A 63 -5.830 7.831 5.142 1.00 0.00 C ATOM 917 O LEU A 63 -6.533 7.300 6.003 1.00 0.00 O ATOM 918 CB LEU A 63 -4.988 5.937 3.741 1.00 0.00 C ATOM 919 CG LEU A 63 -3.923 5.420 2.773 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.357 4.098 2.159 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.644 6.449 1.687 1.00 0.00 C ATOM 0 H LEU A 63 -4.031 5.832 6.160 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.022 7.840 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.281 5.118 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.870 6.215 3.164 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.002 5.253 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.587 3.745 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.505 3.361 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.291 4.239 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.884 6.064 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.560 6.649 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.288 7.373 2.144 1.00 0.00 H new ATOM 933 N LEU A 64 -6.099 9.024 4.624 1.00 0.00 N ATOM 934 CA LEU A 64 -7.261 9.797 5.046 1.00 0.00 C ATOM 935 C LEU A 64 -8.259 9.948 3.902 1.00 0.00 C ATOM 936 O LEU A 64 -7.904 9.810 2.733 1.00 0.00 O ATOM 937 CB LEU A 64 -6.828 11.176 5.545 1.00 0.00 C ATOM 938 CG LEU A 64 -5.926 11.190 6.780 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.375 12.587 7.023 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.687 10.696 8.002 1.00 0.00 C ATOM 0 H LEU A 64 -5.528 9.477 3.911 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.747 9.260 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.308 11.687 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.723 11.758 5.767 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.088 10.517 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.736 12.577 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.794 12.905 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.200 13.281 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.030 10.713 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.545 11.344 8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.033 9.677 7.828 1.00 0.00 H new ATOM 952 N GLY A 65 -9.510 10.235 4.249 1.00 0.00 N ATOM 953 CA GLY A 65 -10.540 10.403 3.240 1.00 0.00 C ATOM 954 C GLY A 65 -10.928 9.092 2.584 1.00 0.00 C ATOM 955 O GLY A 65 -10.611 8.856 1.418 1.00 0.00 O ATOM 0 H GLY A 65 -9.829 10.354 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.422 10.852 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.187 11.097 2.477 1.00 0.00 H new ATOM 959 N LEU A 66 -11.613 8.237 3.335 1.00 0.00 N ATOM 960 CA LEU A 66 -12.043 6.941 2.820 1.00 0.00 C ATOM 961 C LEU A 66 -13.563 6.817 2.860 1.00 0.00 C ATOM 962 O LEU A 66 -14.257 7.707 3.352 1.00 0.00 O ATOM 963 CB LEU A 66 -11.406 5.811 3.630 1.00 0.00 C ATOM 964 CG LEU A 66 -9.878 5.762 3.627 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.380 4.593 4.463 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.351 5.664 2.203 1.00 0.00 C ATOM 0 H LEU A 66 -11.883 8.417 4.302 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.717 6.864 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.745 5.895 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.781 4.861 3.248 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.503 6.685 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.290 4.574 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.728 4.706 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.764 3.660 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.262 5.630 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.735 4.758 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.678 6.534 1.633 1.00 0.00 H new ATOM 978 N PHE A 67 -14.074 5.706 2.341 1.00 0.00 N ATOM 979 CA PHE A 67 -15.512 5.464 2.318 1.00 0.00 C ATOM 980 C PHE A 67 -15.875 4.260 3.183 1.00 0.00 C ATOM 981 O PHE A 67 -15.097 3.318 3.338 1.00 0.00 O ATOM 982 CB PHE A 67 -15.990 5.237 0.882 1.00 0.00 C ATOM 983 CG PHE A 67 -15.865 6.453 0.010 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.268 7.697 0.470 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.344 6.354 -1.270 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.155 8.817 -0.331 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.228 7.471 -2.076 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.633 8.705 -1.605 1.00 0.00 C ATOM 0 H PHE A 67 -13.514 4.959 1.931 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.010 6.345 2.724 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.415 4.423 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.032 4.918 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.675 7.792 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.024 5.392 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.475 9.780 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.821 7.379 -3.072 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.542 9.580 -2.231 1.00 0.00 H new ATOM 998 N PRO A 68 -17.085 4.290 3.761 1.00 0.00 N ATOM 999 CA PRO A 68 -17.579 3.210 4.620 1.00 0.00 C ATOM 1000 C PRO A 68 -17.878 1.937 3.836 1.00 0.00 C ATOM 1001 O PRO A 68 -18.729 1.929 2.947 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.867 3.789 5.211 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.317 4.805 4.218 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.064 5.381 3.620 1.00 0.00 C ATOM 0 HA PRO A 68 -16.844 2.916 5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.620 3.014 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.687 4.241 6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.943 4.350 3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.914 5.581 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.208 5.659 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.743 6.279 4.148 1.00 0.00 H new ATOM 1012 N SER A 69 -17.172 0.862 4.172 1.00 0.00 N ATOM 1013 CA SER A 69 -17.359 -0.417 3.497 1.00 0.00 C ATOM 1014 C SER A 69 -16.971 -0.316 2.025 1.00 0.00 C ATOM 1015 O SER A 69 -17.643 -0.870 1.154 1.00 0.00 O ATOM 1016 CB SER A 69 -18.813 -0.876 3.623 1.00 0.00 C ATOM 1017 OG SER A 69 -18.980 -2.188 3.114 1.00 0.00 O ATOM 0 H SER A 69 -16.465 0.851 4.908 1.00 0.00 H new ATOM 0 HA SER A 69 -16.711 -1.151 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.117 -0.847 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.463 -0.188 3.083 1.00 0.00 H new ATOM 0 HG SER A 69 -18.709 -2.211 2.172 1.00 0.00 H new ATOM 1023 N THR A 70 -15.881 0.395 1.754 1.00 0.00 N ATOM 1024 CA THR A 70 -15.403 0.571 0.388 1.00 0.00 C ATOM 1025 C THR A 70 -14.008 -0.018 0.214 1.00 0.00 C ATOM 1026 O THR A 70 -13.074 0.355 0.923 1.00 0.00 O ATOM 1027 CB THR A 70 -15.373 2.058 -0.010 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.683 2.624 0.112 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.873 2.227 -1.436 1.00 0.00 C ATOM 0 H THR A 70 -15.312 0.858 2.463 1.00 0.00 H new ATOM 0 HA THR A 70 -16.101 0.043 -0.261 1.00 0.00 H new ATOM 0 HB THR A 70 -14.689 2.577 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.911 3.103 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.861 3.286 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.865 1.822 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.535 1.695 -2.119 1.00 0.00 H new ATOM 1037 N SER A 71 -13.874 -0.941 -0.734 1.00 0.00 N ATOM 1038 CA SER A 71 -12.593 -1.584 -0.999 1.00 0.00 C ATOM 1039 C SER A 71 -11.629 -0.615 -1.679 1.00 0.00 C ATOM 1040 O SER A 71 -12.014 0.132 -2.578 1.00 0.00 O ATOM 1041 CB SER A 71 -12.791 -2.822 -1.875 1.00 0.00 C ATOM 1042 OG SER A 71 -11.554 -3.459 -2.145 1.00 0.00 O ATOM 0 H SER A 71 -14.637 -1.260 -1.331 1.00 0.00 H new ATOM 0 HA SER A 71 -12.163 -1.888 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.462 -3.521 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.268 -2.536 -2.812 1.00 0.00 H new ATOM 0 HG SER A 71 -11.708 -4.248 -2.705 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.375 -0.635 -1.242 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.356 0.243 -1.805 1.00 0.00 C ATOM 1050 C TYR A 72 -8.131 -0.555 -2.242 1.00 0.00 C ATOM 1051 O TYR A 72 -7.766 -1.547 -1.612 1.00 0.00 O ATOM 1052 CB TYR A 72 -8.948 1.307 -0.785 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.897 2.482 -0.723 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -11.007 2.460 0.113 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -9.684 3.614 -1.500 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -11.877 3.532 0.172 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -10.548 4.690 -1.446 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.643 4.644 -0.609 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.507 5.714 -0.553 1.00 0.00 O ATOM 0 H TYR A 72 -10.040 -1.249 -0.500 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.780 0.734 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.887 0.848 0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.950 1.670 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -11.193 1.591 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.828 3.653 -2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -12.736 3.499 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.367 5.563 -2.056 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.378 5.451 -0.917 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.501 -0.114 -3.326 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.317 -0.786 -3.848 1.00 0.00 C ATOM 1071 C ASN A 73 -5.082 0.099 -3.706 1.00 0.00 C ATOM 1072 O ASN A 73 -4.876 1.026 -4.489 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.524 -1.159 -5.318 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.696 -2.360 -5.731 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.881 -2.280 -6.651 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -5.901 -3.482 -5.051 1.00 0.00 N ATOM 0 H ASN A 73 -7.791 0.706 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.160 -1.695 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.579 -1.371 -5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.263 -0.308 -5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.373 -4.323 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.587 -3.503 -4.296 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.263 -0.195 -2.701 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.048 0.572 -2.457 1.00 0.00 C ATOM 1085 C ALA A 74 -1.835 -0.108 -3.085 1.00 0.00 C ATOM 1086 O ALA A 74 -1.781 -1.334 -3.183 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.834 0.761 -0.963 1.00 0.00 C ATOM 0 H ALA A 74 -4.419 -0.959 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.166 1.551 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.923 1.336 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.683 1.296 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.742 -0.213 -0.483 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.866 0.696 -3.509 1.00 0.00 N ATOM 1094 CA ARG A 75 0.345 0.172 -4.129 1.00 0.00 C ATOM 1095 C ARG A 75 1.571 0.965 -3.685 1.00 0.00 C ATOM 1096 O ARG A 75 1.631 2.183 -3.856 1.00 0.00 O ATOM 1097 CB ARG A 75 0.222 0.214 -5.653 1.00 0.00 C ATOM 1098 CG ARG A 75 1.529 -0.066 -6.377 1.00 0.00 C ATOM 1099 CD ARG A 75 1.484 0.423 -7.816 1.00 0.00 C ATOM 1100 NE ARG A 75 1.396 1.879 -7.897 1.00 0.00 N ATOM 1101 CZ ARG A 75 1.421 2.554 -9.040 1.00 0.00 C ATOM 1102 NH1 ARG A 75 1.530 1.909 -10.193 1.00 0.00 N ATOM 1103 NH2 ARG A 75 1.336 3.879 -9.032 1.00 0.00 N ATOM 0 H ARG A 75 -0.896 1.713 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 75 0.468 -0.863 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.523 -0.517 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.147 1.195 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.349 0.422 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.733 -1.137 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.376 0.084 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.627 -0.021 -8.323 1.00 0.00 H new ATOM 0 HE ARG A 75 1.311 2.406 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.595 0.891 -10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.549 2.431 -11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.251 4.379 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.355 4.397 -9.911 1.00 0.00 H new ATOM 1117 N LEU A 76 2.545 0.267 -3.112 1.00 0.00 N ATOM 1118 CA LEU A 76 3.770 0.905 -2.642 1.00 0.00 C ATOM 1119 C LEU A 76 4.895 0.738 -3.658 1.00 0.00 C ATOM 1120 O LEU A 76 5.394 -0.368 -3.869 1.00 0.00 O ATOM 1121 CB LEU A 76 4.191 0.316 -1.295 1.00 0.00 C ATOM 1122 CG LEU A 76 5.283 1.076 -0.542 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.741 2.387 0.006 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.851 0.220 0.581 1.00 0.00 C ATOM 0 H LEU A 76 2.510 -0.741 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 76 3.572 1.970 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.310 0.257 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.534 -0.705 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 76 6.088 1.304 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.533 2.914 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.384 3.006 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.917 2.183 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.627 0.777 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.055 -0.039 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.278 -0.692 0.163 1.00 0.00 H new ATOM 1136 N GLN A 77 5.292 1.842 -4.282 1.00 0.00 N ATOM 1137 CA GLN A 77 6.360 1.817 -5.274 1.00 0.00 C ATOM 1138 C GLN A 77 7.512 2.725 -4.857 1.00 0.00 C ATOM 1139 O GLN A 77 7.350 3.940 -4.750 1.00 0.00 O ATOM 1140 CB GLN A 77 5.826 2.247 -6.641 1.00 0.00 C ATOM 1141 CG GLN A 77 6.573 1.625 -7.810 1.00 0.00 C ATOM 1142 CD GLN A 77 6.508 2.475 -9.063 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.930 3.562 -9.060 1.00 0.00 O ATOM 1144 NE2 GLN A 77 7.102 1.983 -10.144 1.00 0.00 N ATOM 0 H GLN A 77 4.890 2.765 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 77 6.733 0.795 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.772 1.979 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.885 3.333 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.616 1.475 -7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.155 0.641 -8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.570 1.078 -10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.091 2.511 -11.017 1.00 0.00 H new ATOM 1153 N ALA A 78 8.675 2.127 -4.621 1.00 0.00 N ATOM 1154 CA ALA A 78 9.855 2.882 -4.217 1.00 0.00 C ATOM 1155 C ALA A 78 10.702 3.264 -5.426 1.00 0.00 C ATOM 1156 O ALA A 78 10.820 2.497 -6.381 1.00 0.00 O ATOM 1157 CB ALA A 78 10.681 2.079 -3.224 1.00 0.00 C ATOM 0 H ALA A 78 8.825 1.121 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 78 9.521 3.801 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.559 2.655 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.079 1.861 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.998 1.144 -3.686 1.00 0.00 H new ATOM 1163 N MET A 79 11.290 4.456 -5.378 1.00 0.00 N ATOM 1164 CA MET A 79 12.127 4.939 -6.470 1.00 0.00 C ATOM 1165 C MET A 79 13.572 4.484 -6.289 1.00 0.00 C ATOM 1166 O MET A 79 14.224 4.833 -5.305 1.00 0.00 O ATOM 1167 CB MET A 79 12.068 6.465 -6.549 1.00 0.00 C ATOM 1168 CG MET A 79 10.655 7.023 -6.480 1.00 0.00 C ATOM 1169 SD MET A 79 10.589 8.792 -6.820 1.00 0.00 S ATOM 1170 CE MET A 79 10.363 9.446 -5.167 1.00 0.00 C ATOM 0 H MET A 79 11.202 5.104 -4.595 1.00 0.00 H new ATOM 0 HA MET A 79 11.745 4.519 -7.401 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.656 6.886 -5.734 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.534 6.791 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.025 6.496 -7.196 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.241 6.832 -5.490 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.827 10.393 -5.221 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.789 8.737 -4.571 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.336 9.606 -4.703 1.00 0.00 H new ATOM 1180 N TRP A 80 14.065 3.703 -7.244 1.00 0.00 N ATOM 1181 CA TRP A 80 15.433 3.200 -7.190 1.00 0.00 C ATOM 1182 C TRP A 80 16.232 3.664 -8.402 1.00 0.00 C ATOM 1183 O TRP A 80 16.137 3.080 -9.481 1.00 0.00 O ATOM 1184 CB TRP A 80 15.434 1.672 -7.117 1.00 0.00 C ATOM 1185 CG TRP A 80 15.327 1.144 -5.718 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.334 1.041 -4.802 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.146 0.646 -5.078 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.851 0.508 -3.631 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.512 0.258 -3.774 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.817 0.492 -5.479 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.595 -0.274 -2.872 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.908 -0.037 -4.582 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.300 -0.414 -3.291 1.00 0.00 C ATOM 0 H TRP A 80 13.538 3.404 -8.065 1.00 0.00 H new ATOM 0 HA TRP A 80 15.905 3.600 -6.293 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.603 1.287 -7.708 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.350 1.294 -7.571 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.359 1.335 -4.972 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.401 0.328 -2.791 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.505 0.781 -6.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.895 -0.566 -1.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.878 -0.162 -4.882 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.566 -0.823 -2.613 1.00 0.00 H new ATOM 1204 N GLY A 81 17.021 4.718 -8.218 1.00 0.00 N ATOM 1205 CA GLY A 81 17.825 5.242 -9.307 1.00 0.00 C ATOM 1206 C GLY A 81 17.122 5.145 -10.646 1.00 0.00 C ATOM 1207 O GLY A 81 15.954 5.513 -10.768 1.00 0.00 O ATOM 0 H GLY A 81 17.118 5.218 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.071 6.284 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.767 4.696 -9.354 1.00 0.00 H new ATOM 1211 N GLN A 82 17.836 4.651 -11.653 1.00 0.00 N ATOM 1212 CA GLN A 82 17.272 4.510 -12.990 1.00 0.00 C ATOM 1213 C GLN A 82 16.443 3.235 -13.100 1.00 0.00 C ATOM 1214 O GLN A 82 16.531 2.508 -14.090 1.00 0.00 O ATOM 1215 CB GLN A 82 18.388 4.498 -14.037 1.00 0.00 C ATOM 1216 CG GLN A 82 19.003 5.866 -14.286 1.00 0.00 C ATOM 1217 CD GLN A 82 20.345 5.784 -14.986 1.00 0.00 C ATOM 1218 OE1 GLN A 82 21.393 5.738 -14.341 1.00 0.00 O ATOM 1219 NE2 GLN A 82 20.320 5.765 -16.313 1.00 0.00 N ATOM 0 H GLN A 82 18.804 4.342 -11.568 1.00 0.00 H new ATOM 0 HA GLN A 82 16.619 5.363 -13.173 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.170 3.810 -13.715 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.990 4.111 -14.975 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.319 6.463 -14.889 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.125 6.384 -13.335 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.428 5.805 -16.807 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.192 5.710 -16.839 1.00 0.00 H new ATOM 1228 N SER A 83 15.638 2.968 -12.076 1.00 0.00 N ATOM 1229 CA SER A 83 14.795 1.778 -12.055 1.00 0.00 C ATOM 1230 C SER A 83 13.633 1.953 -11.083 1.00 0.00 C ATOM 1231 O SER A 83 13.716 2.729 -10.130 1.00 0.00 O ATOM 1232 CB SER A 83 15.621 0.550 -11.666 1.00 0.00 C ATOM 1233 OG SER A 83 16.459 0.140 -12.733 1.00 0.00 O ATOM 0 H SER A 83 15.552 3.560 -11.250 1.00 0.00 H new ATOM 0 HA SER A 83 14.389 1.632 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.228 0.779 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.955 -0.267 -11.388 1.00 0.00 H new ATOM 0 HG SER A 83 16.509 0.854 -13.403 1.00 0.00 H new ATOM 1239 N LEU A 84 12.549 1.226 -11.331 1.00 0.00 N ATOM 1240 CA LEU A 84 11.367 1.299 -10.479 1.00 0.00 C ATOM 1241 C LEU A 84 10.914 -0.095 -10.055 1.00 0.00 C ATOM 1242 O LEU A 84 9.959 -0.643 -10.606 1.00 0.00 O ATOM 1243 CB LEU A 84 10.231 2.017 -11.209 1.00 0.00 C ATOM 1244 CG LEU A 84 10.496 3.471 -11.598 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.428 3.970 -12.559 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.555 4.353 -10.359 1.00 0.00 C ATOM 0 H LEU A 84 12.464 0.579 -12.115 1.00 0.00 H new ATOM 0 HA LEU A 84 11.629 1.863 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.996 1.457 -12.114 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.344 1.987 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 84 11.461 3.522 -12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.633 5.007 -12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.434 3.357 -13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.450 3.905 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.744 5.385 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.605 4.297 -9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.358 4.010 -9.706 1.00 0.00 H new ATOM 1258 N LEU A 85 11.604 -0.661 -9.071 1.00 0.00 N ATOM 1259 CA LEU A 85 11.272 -1.991 -8.571 1.00 0.00 C ATOM 1260 C LEU A 85 9.762 -2.205 -8.555 1.00 0.00 C ATOM 1261 O LEU A 85 8.978 -1.263 -8.438 1.00 0.00 O ATOM 1262 CB LEU A 85 11.841 -2.185 -7.164 1.00 0.00 C ATOM 1263 CG LEU A 85 13.353 -2.006 -7.021 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.796 -2.324 -5.602 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.091 -2.883 -8.022 1.00 0.00 C ATOM 0 H LEU A 85 12.396 -0.220 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 85 11.718 -2.726 -9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.347 -1.482 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.580 -3.187 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 85 13.598 -0.965 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.875 -2.191 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.293 -1.654 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.538 -3.356 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.166 -2.743 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.840 -3.929 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.796 -2.607 -9.034 1.00 0.00 H new ATOM 1277 N PRO A 86 9.342 -3.474 -8.673 1.00 0.00 N ATOM 1278 CA PRO A 86 7.923 -3.842 -8.672 1.00 0.00 C ATOM 1279 C PRO A 86 7.276 -3.652 -7.305 1.00 0.00 C ATOM 1280 O PRO A 86 7.667 -4.271 -6.315 1.00 0.00 O ATOM 1281 CB PRO A 86 7.941 -5.324 -9.054 1.00 0.00 C ATOM 1282 CG PRO A 86 9.285 -5.808 -8.631 1.00 0.00 C ATOM 1283 CD PRO A 86 10.221 -4.646 -8.816 1.00 0.00 C ATOM 0 HA PRO A 86 7.340 -3.220 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.146 -5.873 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.791 -5.459 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.272 -6.137 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.599 -6.662 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.015 -4.647 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.703 -4.670 -9.793 1.00 0.00 H new ATOM 1291 N PRO A 87 6.262 -2.776 -7.246 1.00 0.00 N ATOM 1292 CA PRO A 87 5.538 -2.485 -6.004 1.00 0.00 C ATOM 1293 C PRO A 87 4.680 -3.659 -5.545 1.00 0.00 C ATOM 1294 O PRO A 87 4.766 -4.757 -6.096 1.00 0.00 O ATOM 1295 CB PRO A 87 4.655 -1.292 -6.379 1.00 0.00 C ATOM 1296 CG PRO A 87 4.469 -1.408 -7.853 1.00 0.00 C ATOM 1297 CD PRO A 87 5.743 -2.002 -8.386 1.00 0.00 C ATOM 0 HA PRO A 87 6.216 -2.287 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.700 -1.326 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.131 -0.348 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.614 -2.042 -8.090 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.276 -0.433 -8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.558 -2.637 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.445 -1.230 -8.701 1.00 0.00 H new ATOM 1305 N VAL A 88 3.853 -3.421 -4.532 1.00 0.00 N ATOM 1306 CA VAL A 88 2.978 -4.459 -3.999 1.00 0.00 C ATOM 1307 C VAL A 88 1.543 -3.960 -3.882 1.00 0.00 C ATOM 1308 O VAL A 88 1.257 -3.031 -3.126 1.00 0.00 O ATOM 1309 CB VAL A 88 3.457 -4.942 -2.617 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.516 -6.024 -2.767 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.988 -3.774 -1.800 1.00 0.00 C ATOM 0 H VAL A 88 3.770 -2.519 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 88 3.013 -5.294 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 88 2.607 -5.371 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.842 -6.353 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.097 -6.870 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.368 -5.625 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.322 -4.133 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.826 -3.314 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.197 -3.037 -1.663 1.00 0.00 H new ATOM 1321 N SER A 89 0.642 -4.584 -4.634 1.00 0.00 N ATOM 1322 CA SER A 89 -0.765 -4.201 -4.617 1.00 0.00 C ATOM 1323 C SER A 89 -1.569 -5.126 -3.709 1.00 0.00 C ATOM 1324 O SER A 89 -1.431 -6.349 -3.769 1.00 0.00 O ATOM 1325 CB SER A 89 -1.341 -4.232 -6.034 1.00 0.00 C ATOM 1326 OG SER A 89 -1.232 -5.527 -6.601 1.00 0.00 O ATOM 0 H SER A 89 0.861 -5.357 -5.263 1.00 0.00 H new ATOM 0 HA SER A 89 -0.835 -3.186 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.388 -3.929 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.814 -3.512 -6.660 1.00 0.00 H new ATOM 0 HG SER A 89 -1.178 -6.194 -5.885 1.00 0.00 H new ATOM 1332 N THR A 90 -2.410 -4.535 -2.867 1.00 0.00 N ATOM 1333 CA THR A 90 -3.236 -5.304 -1.945 1.00 0.00 C ATOM 1334 C THR A 90 -4.635 -4.709 -1.833 1.00 0.00 C ATOM 1335 O THR A 90 -4.817 -3.498 -1.955 1.00 0.00 O ATOM 1336 CB THR A 90 -2.603 -5.365 -0.542 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.292 -6.327 0.265 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.650 -4.003 0.134 1.00 0.00 C ATOM 0 H THR A 90 -2.537 -3.525 -2.804 1.00 0.00 H new ATOM 0 HA THR A 90 -3.305 -6.314 -2.349 1.00 0.00 H new ATOM 0 HB THR A 90 -1.560 -5.662 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.882 -6.361 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.197 -4.072 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.100 -3.279 -0.467 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.687 -3.681 0.231 1.00 0.00 H new ATOM 1346 N SER A 91 -5.622 -5.569 -1.599 1.00 0.00 N ATOM 1347 CA SER A 91 -7.006 -5.128 -1.473 1.00 0.00 C ATOM 1348 C SER A 91 -7.477 -5.223 -0.025 1.00 0.00 C ATOM 1349 O SER A 91 -7.378 -6.276 0.605 1.00 0.00 O ATOM 1350 CB SER A 91 -7.914 -5.969 -2.372 1.00 0.00 C ATOM 1351 OG SER A 91 -7.647 -7.352 -2.218 1.00 0.00 O ATOM 0 H SER A 91 -5.488 -6.575 -1.493 1.00 0.00 H new ATOM 0 HA SER A 91 -7.059 -4.085 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.958 -5.768 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.767 -5.681 -3.413 1.00 0.00 H new ATOM 0 HG SER A 91 -7.569 -7.566 -1.265 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.990 -4.114 0.497 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.476 -4.069 1.872 1.00 0.00 C ATOM 1359 C PHE A 92 -9.845 -3.399 1.943 1.00 0.00 C ATOM 1360 O PHE A 92 -10.084 -2.378 1.298 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.482 -3.321 2.762 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.344 -1.866 2.416 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.619 -1.471 1.303 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -7.938 -0.894 3.204 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.490 -0.133 0.981 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.813 0.446 2.886 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.087 0.826 1.775 1.00 0.00 C ATOM 0 H PHE A 92 -8.080 -3.234 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.574 -5.094 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.798 -3.411 3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.506 -3.799 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.149 -2.217 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.505 -1.186 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.923 0.162 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.283 1.195 3.506 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.986 1.872 1.527 1.00 0.00 H new ATOM 1377 N THR A 93 -10.742 -3.982 2.732 1.00 0.00 N ATOM 1378 CA THR A 93 -12.088 -3.444 2.887 1.00 0.00 C ATOM 1379 C THR A 93 -12.224 -2.676 4.197 1.00 0.00 C ATOM 1380 O THR A 93 -11.767 -3.130 5.246 1.00 0.00 O ATOM 1381 CB THR A 93 -13.147 -4.561 2.847 1.00 0.00 C ATOM 1382 OG1 THR A 93 -12.871 -5.460 1.767 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.543 -3.978 2.683 1.00 0.00 C ATOM 0 H THR A 93 -10.561 -4.827 3.274 1.00 0.00 H new ATOM 0 HA THR A 93 -12.256 -2.765 2.051 1.00 0.00 H new ATOM 0 HB THR A 93 -13.105 -5.104 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.548 -6.168 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.274 -4.786 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.762 -3.317 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.594 -3.413 1.752 1.00 0.00 H new ATOM 1391 N THR A 94 -12.858 -1.509 4.130 1.00 0.00 N ATOM 1392 CA THR A 94 -13.055 -0.678 5.310 1.00 0.00 C ATOM 1393 C THR A 94 -14.313 -1.087 6.068 1.00 0.00 C ATOM 1394 O THR A 94 -15.202 -1.730 5.512 1.00 0.00 O ATOM 1395 CB THR A 94 -13.157 0.813 4.936 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.168 1.000 3.940 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.825 1.334 4.419 1.00 0.00 C ATOM 0 H THR A 94 -13.244 -1.119 3.270 1.00 0.00 H new ATOM 0 HA THR A 94 -12.185 -0.827 5.949 1.00 0.00 H new ATOM 0 HB THR A 94 -13.424 1.372 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.484 1.927 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.922 2.389 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.064 1.217 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.533 0.770 3.533 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.382 -0.709 7.341 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.536 -1.046 8.153 1.00 0.00 C ATOM 1407 C GLY A 95 -16.761 -0.234 7.785 1.00 0.00 C ATOM 1408 O GLY A 95 -16.765 0.475 6.779 1.00 0.00 O ATOM 0 H GLY A 95 -13.659 -0.175 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.759 -2.107 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.297 -0.882 9.204 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.806 -0.339 8.600 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.030 0.396 8.336 1.00 0.00 C ATOM 1414 C GLY A 96 -19.289 1.480 9.364 1.00 0.00 C ATOM 1415 O GLY A 96 -18.854 1.374 10.511 1.00 0.00 O ATOM 0 H GLY A 96 -17.827 -0.920 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.973 0.846 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.871 -0.297 8.324 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.997 2.526 8.953 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.312 3.635 9.846 1.00 0.00 C ATOM 1421 C LEU A 97 -21.402 3.243 10.838 1.00 0.00 C ATOM 1422 O LEU A 97 -22.566 3.607 10.672 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.757 4.856 9.038 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.638 5.732 8.474 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.192 6.718 7.458 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.919 6.466 9.596 1.00 0.00 C ATOM 0 H LEU A 97 -20.364 2.629 8.007 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.411 3.886 10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.375 4.512 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.391 5.475 9.673 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.918 5.088 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.381 7.333 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.660 6.172 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.933 7.357 7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.126 7.085 9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.628 7.098 10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.487 5.742 10.287 1.00 0.00 H new