USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 15 ASN :FLIP amide:sc= 0.969 F(o=-0.19,f=0.97) USER MOD Single : A 18 CYS SG : rot -98:sc= -1.15 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= -0.0105 (180deg=-0.168) USER MOD Single : A 22 ASN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 25 MET CE :methyl 139:sc= -0.695 (180deg=-3.06!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -91:sc= 0.587 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 1.45 (180deg=0.872) USER MOD Single : A 38 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.000993 K(o=-0.00099,f=-1.1) USER MOD Single : A 50 THR OG1 : rot -65:sc= 1.16 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.922 USER MOD Single : A 59 CYS SG : rot 20:sc= -0.214 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 1:sc= 0.39 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= -0.0497 (180deg=-0.138) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= -0.299 (180deg=-1.52) USER MOD Single : A 73 SER OG : rot 120:sc= 0.0639 USER MOD Single : A 83 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.23) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0431 (180deg=-0.266) USER MOD Single : A 85 THR OG1 : rot -59:sc= 1.49 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -5.717 6.179 5.146 1.00 0.92 N ATOM 2 CA ASN A 15 -6.587 5.207 5.852 1.00 0.85 C ATOM 3 C ASN A 15 -8.047 5.647 5.815 1.00 0.80 C ATOM 4 O ASN A 15 -8.947 4.829 6.004 1.00 0.75 O ATOM 5 CB ASN A 15 -6.141 5.029 7.311 1.00 0.93 C ATOM 6 CG ASN A 15 -6.277 6.297 8.134 1.00 1.63 C ATOM 7 OD1 ASN A 15 -6.588 6.142 9.411 1.00 2.49 O flip ATOM 8 ND2 ASN A 15 -6.113 7.405 7.624 1.00 1.95 N flip ATOM 0 HA ASN A 15 -6.494 4.253 5.334 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -6.733 4.239 7.772 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -5.102 4.701 7.330 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -5.874 7.481 6.635 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -6.216 8.247 8.190 1.00 1.95 H new ATOM 17 N ASP A 16 -8.284 6.929 5.553 1.00 0.85 N ATOM 18 CA ASP A 16 -9.634 7.486 5.595 1.00 0.87 C ATOM 19 C ASP A 16 -10.509 6.886 4.506 1.00 0.75 C ATOM 20 O ASP A 16 -11.662 6.552 4.751 1.00 0.74 O ATOM 21 CB ASP A 16 -9.604 9.010 5.446 1.00 1.00 C ATOM 22 CG ASP A 16 -8.900 9.697 6.596 1.00 1.63 C ATOM 23 OD1 ASP A 16 -9.524 9.864 7.662 1.00 1.81 O ATOM 24 OD2 ASP A 16 -7.721 10.077 6.438 1.00 2.46 O ATOM 0 H ASP A 16 -7.558 7.603 5.309 1.00 0.85 H new ATOM 0 HA ASP A 16 -10.059 7.233 6.567 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -9.104 9.270 4.513 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -10.625 9.384 5.376 1.00 1.00 H new ATOM 29 N ILE A 17 -9.953 6.746 3.310 1.00 0.70 N ATOM 30 CA ILE A 17 -10.691 6.200 2.176 1.00 0.64 C ATOM 31 C ILE A 17 -11.176 4.785 2.482 1.00 0.57 C ATOM 32 O ILE A 17 -12.319 4.429 2.183 1.00 0.57 O ATOM 33 CB ILE A 17 -9.845 6.191 0.876 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.592 7.618 0.382 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.531 5.381 -0.215 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.657 8.421 1.254 1.00 0.80 C ATOM 0 H ILE A 17 -8.989 7.004 3.098 1.00 0.70 H new ATOM 0 HA ILE A 17 -11.549 6.853 2.013 1.00 0.64 H new ATOM 0 HB ILE A 17 -8.888 5.724 1.108 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.181 7.573 -0.626 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.546 8.141 0.314 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -9.917 5.391 -1.116 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -10.663 4.353 0.123 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.505 5.818 -0.435 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -8.533 9.418 0.832 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -9.074 8.501 2.258 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.688 7.924 1.302 1.00 0.80 H new ATOM 48 N CYS A 18 -10.313 4.000 3.110 1.00 0.55 N ATOM 49 CA CYS A 18 -10.642 2.627 3.467 1.00 0.51 C ATOM 50 C CYS A 18 -11.649 2.614 4.614 1.00 0.53 C ATOM 51 O CYS A 18 -12.616 1.852 4.606 1.00 0.51 O ATOM 52 CB CYS A 18 -9.365 1.880 3.867 1.00 0.52 C ATOM 53 SG CYS A 18 -9.566 0.100 4.082 1.00 1.35 S ATOM 0 H CYS A 18 -9.375 4.292 3.384 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.089 2.127 2.608 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.604 2.056 3.106 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -8.989 2.304 4.798 1.00 0.52 H new ATOM 0 HG CYS A 18 -9.709 -0.171 5.345 1.00 1.35 H new ATOM 59 N LEU A 19 -11.416 3.491 5.583 1.00 0.58 N ATOM 60 CA LEU A 19 -12.275 3.604 6.757 1.00 0.63 C ATOM 61 C LEU A 19 -13.683 4.003 6.348 1.00 0.63 C ATOM 62 O LEU A 19 -14.670 3.406 6.777 1.00 0.63 O ATOM 63 CB LEU A 19 -11.708 4.652 7.705 1.00 0.72 C ATOM 64 CG LEU A 19 -12.362 4.718 9.089 1.00 0.83 C ATOM 65 CD1 LEU A 19 -12.153 3.414 9.843 1.00 1.14 C ATOM 66 CD2 LEU A 19 -11.802 5.890 9.882 1.00 1.16 C ATOM 0 H LEU A 19 -10.630 4.141 5.578 1.00 0.58 H new ATOM 0 HA LEU A 19 -12.313 2.636 7.257 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -10.643 4.459 7.835 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -11.800 5.630 7.233 1.00 0.72 H new ATOM 0 HG LEU A 19 -13.434 4.868 8.958 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -12.625 3.481 10.823 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -12.599 2.593 9.281 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -11.085 3.232 9.966 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -12.276 5.925 10.863 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -10.726 5.767 10.003 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -12.003 6.819 9.349 1.00 1.16 H new ATOM 78 N ARG A 20 -13.753 5.031 5.519 1.00 0.64 N ATOM 79 CA ARG A 20 -15.012 5.557 4.998 1.00 0.65 C ATOM 80 C ARG A 20 -15.821 4.483 4.276 1.00 0.58 C ATOM 81 O ARG A 20 -17.047 4.446 4.372 1.00 0.60 O ATOM 82 CB ARG A 20 -14.689 6.701 4.039 1.00 0.69 C ATOM 83 CG ARG A 20 -15.893 7.424 3.463 1.00 0.82 C ATOM 84 CD ARG A 20 -15.446 8.534 2.525 1.00 1.37 C ATOM 85 NE ARG A 20 -14.507 9.442 3.183 1.00 2.06 N ATOM 86 CZ ARG A 20 -13.464 10.018 2.583 1.00 2.90 C ATOM 87 NH1 ARG A 20 -13.228 9.815 1.292 1.00 3.23 N ATOM 88 NH2 ARG A 20 -12.651 10.798 3.283 1.00 3.84 N ATOM 0 H ARG A 20 -12.931 5.532 5.183 1.00 0.64 H new ATOM 0 HA ARG A 20 -15.620 5.909 5.831 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -14.066 7.427 4.562 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.095 6.306 3.215 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -16.526 6.718 2.926 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.495 7.842 4.270 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -14.977 8.100 1.642 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -16.316 9.094 2.181 1.00 1.37 H new ATOM 0 HE ARG A 20 -14.660 9.649 4.170 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -13.847 9.214 0.749 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -12.427 10.261 0.844 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -12.825 10.955 4.276 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -11.852 11.241 2.829 1.00 3.84 H new ATOM 102 N LYS A 21 -15.127 3.605 3.561 1.00 0.51 N ATOM 103 CA LYS A 21 -15.770 2.520 2.823 1.00 0.46 C ATOM 104 C LYS A 21 -16.271 1.428 3.762 1.00 0.45 C ATOM 105 O LYS A 21 -16.820 0.417 3.319 1.00 0.44 O ATOM 106 CB LYS A 21 -14.783 1.924 1.827 1.00 0.41 C ATOM 107 CG LYS A 21 -15.093 2.259 0.382 1.00 0.52 C ATOM 108 CD LYS A 21 -16.446 1.708 -0.019 1.00 0.72 C ATOM 109 CE LYS A 21 -16.735 1.944 -1.489 1.00 0.72 C ATOM 110 NZ LYS A 21 -16.688 3.384 -1.853 1.00 1.10 N ATOM 0 H LYS A 21 -14.111 3.623 3.476 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.629 2.933 2.294 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.781 2.280 2.066 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.772 0.840 1.945 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -15.080 3.340 0.244 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -14.320 1.845 -0.266 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.480 0.639 0.192 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -17.223 2.177 0.584 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -16.010 1.396 -2.091 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -17.719 1.543 -1.732 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.023 3.506 -2.830 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.298 3.925 -1.208 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -15.710 3.730 -1.777 1.00 1.10 H new ATOM 124 N ASN A 22 -16.051 1.647 5.051 1.00 0.48 N ATOM 125 CA ASN A 22 -16.471 0.732 6.111 1.00 0.50 C ATOM 126 C ASN A 22 -15.620 -0.534 6.081 1.00 0.42 C ATOM 127 O ASN A 22 -15.992 -1.579 6.619 1.00 0.49 O ATOM 128 CB ASN A 22 -17.965 0.403 5.991 1.00 0.59 C ATOM 129 CG ASN A 22 -18.508 -0.343 7.197 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.053 -0.145 8.325 1.00 1.55 O ATOM 131 ND2 ASN A 22 -19.485 -1.204 6.969 1.00 1.92 N ATOM 0 H ASN A 22 -15.569 2.476 5.398 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.321 1.221 7.073 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.526 1.329 5.861 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.128 -0.197 5.096 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -19.890 -1.733 7.742 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -19.834 -1.340 6.020 1.00 1.92 H new ATOM 138 N TRP A 23 -14.460 -0.424 5.455 1.00 0.35 N ATOM 139 CA TRP A 23 -13.517 -1.526 5.395 1.00 0.29 C ATOM 140 C TRP A 23 -12.624 -1.505 6.626 1.00 0.34 C ATOM 141 O TRP A 23 -12.487 -0.468 7.277 1.00 0.40 O ATOM 142 CB TRP A 23 -12.640 -1.425 4.144 1.00 0.26 C ATOM 143 CG TRP A 23 -13.374 -1.531 2.845 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.535 -2.204 2.595 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.967 -0.959 1.602 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.875 -2.077 1.268 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.924 -1.319 0.638 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.883 -0.172 1.214 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.823 -0.919 -0.694 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.784 0.225 -0.102 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.748 -0.149 -1.044 1.00 0.31 C ATOM 0 H TRP A 23 -14.149 0.423 4.979 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.083 -2.457 5.358 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.109 -0.473 4.167 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.886 -2.211 4.183 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.103 -2.755 3.330 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.700 -2.481 0.826 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -11.133 0.122 1.933 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.566 -1.207 -1.423 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.948 0.835 -0.411 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.641 0.177 -2.068 1.00 0.31 H new ATOM 162 N PRO A 24 -12.011 -2.648 6.970 1.00 0.34 N ATOM 163 CA PRO A 24 -11.033 -2.718 8.058 1.00 0.40 C ATOM 164 C PRO A 24 -9.744 -1.980 7.699 1.00 0.39 C ATOM 165 O PRO A 24 -9.688 -1.254 6.706 1.00 0.41 O ATOM 166 CB PRO A 24 -10.776 -4.218 8.207 1.00 0.43 C ATOM 167 CG PRO A 24 -11.101 -4.790 6.874 1.00 0.44 C ATOM 168 CD PRO A 24 -12.229 -3.958 6.336 1.00 0.34 C ATOM 0 HA PRO A 24 -11.391 -2.249 8.975 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.740 -4.417 8.482 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.402 -4.652 8.987 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.237 -4.752 6.211 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.393 -5.837 6.958 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -12.196 -3.890 5.249 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.200 -4.377 6.600 1.00 0.34 H new ATOM 176 N MET A 25 -8.705 -2.159 8.496 1.00 0.47 N ATOM 177 CA MET A 25 -7.428 -1.535 8.208 1.00 0.47 C ATOM 178 C MET A 25 -6.647 -2.386 7.214 1.00 0.38 C ATOM 179 O MET A 25 -6.592 -3.611 7.349 1.00 0.44 O ATOM 180 CB MET A 25 -6.635 -1.359 9.495 1.00 0.61 C ATOM 181 CG MET A 25 -7.363 -0.548 10.556 1.00 0.70 C ATOM 182 SD MET A 25 -7.185 1.244 10.362 1.00 0.90 S ATOM 183 CE MET A 25 -8.331 1.603 9.030 1.00 1.00 C ATOM 0 H MET A 25 -8.721 -2.728 9.342 1.00 0.47 H new ATOM 0 HA MET A 25 -7.600 -0.553 7.767 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.397 -2.342 9.902 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.688 -0.871 9.264 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.423 -0.803 10.530 1.00 0.70 H new ATOM 0 HG3 MET A 25 -6.990 -0.836 11.539 1.00 0.70 H new ATOM 0 HE1 MET A 25 -8.869 2.525 9.251 1.00 1.00 H new ATOM 0 HE2 MET A 25 -7.780 1.720 8.097 1.00 1.00 H new ATOM 0 HE3 MET A 25 -9.042 0.783 8.931 1.00 1.00 H new ATOM 193 N PRO A 26 -6.049 -1.752 6.192 1.00 0.32 N ATOM 194 CA PRO A 26 -5.319 -2.459 5.138 1.00 0.25 C ATOM 195 C PRO A 26 -4.045 -3.134 5.640 1.00 0.23 C ATOM 196 O PRO A 26 -3.569 -2.876 6.750 1.00 0.27 O ATOM 197 CB PRO A 26 -4.950 -1.362 4.135 1.00 0.30 C ATOM 198 CG PRO A 26 -5.763 -0.170 4.510 1.00 0.46 C ATOM 199 CD PRO A 26 -6.036 -0.294 5.979 1.00 0.44 C ATOM 0 HA PRO A 26 -5.929 -3.260 4.721 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -3.884 -1.137 4.178 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.168 -1.677 3.115 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.225 0.752 4.291 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.693 -0.139 3.943 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.265 0.194 6.575 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -6.987 0.162 6.253 1.00 0.44 H new ATOM 207 N SER A 27 -3.503 -3.996 4.801 1.00 0.20 N ATOM 208 CA SER A 27 -2.262 -4.689 5.096 1.00 0.20 C ATOM 209 C SER A 27 -1.080 -3.820 4.707 1.00 0.17 C ATOM 210 O SER A 27 -1.132 -3.119 3.696 1.00 0.17 O ATOM 211 CB SER A 27 -2.205 -5.997 4.318 1.00 0.25 C ATOM 212 OG SER A 27 -1.049 -6.749 4.642 1.00 0.30 O ATOM 0 H SER A 27 -3.909 -4.236 3.897 1.00 0.20 H new ATOM 0 HA SER A 27 -2.219 -4.899 6.165 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.096 -6.588 4.533 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.214 -5.785 3.249 1.00 0.25 H new ATOM 0 HG SER A 27 -1.046 -7.582 4.126 1.00 0.30 H new ATOM 218 N TYR A 28 -0.014 -3.885 5.486 1.00 0.17 N ATOM 219 CA TYR A 28 1.177 -3.101 5.221 1.00 0.17 C ATOM 220 C TYR A 28 2.405 -3.936 5.574 1.00 0.20 C ATOM 221 O TYR A 28 2.647 -4.223 6.747 1.00 0.25 O ATOM 222 CB TYR A 28 1.176 -1.789 6.023 1.00 0.20 C ATOM 223 CG TYR A 28 0.210 -0.740 5.502 1.00 0.19 C ATOM 224 CD1 TYR A 28 0.610 0.185 4.543 1.00 0.22 C ATOM 225 CD2 TYR A 28 -1.097 -0.673 5.967 1.00 0.20 C ATOM 226 CE1 TYR A 28 -0.260 1.143 4.064 1.00 0.25 C ATOM 227 CE2 TYR A 28 -1.976 0.283 5.491 1.00 0.23 C ATOM 228 CZ TYR A 28 -1.552 1.187 4.539 1.00 0.25 C ATOM 229 OH TYR A 28 -2.425 2.134 4.055 1.00 0.30 O ATOM 0 H TYR A 28 0.049 -4.478 6.313 1.00 0.17 H new ATOM 0 HA TYR A 28 1.197 -2.836 4.164 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.928 -2.011 7.061 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.183 -1.373 6.018 1.00 0.20 H new ATOM 0 HD1 TYR A 28 1.622 0.153 4.166 1.00 0.22 H new ATOM 0 HD2 TYR A 28 -1.432 -1.379 6.712 1.00 0.20 H new ATOM 0 HE1 TYR A 28 0.070 1.854 3.321 1.00 0.25 H new ATOM 0 HE2 TYR A 28 -2.989 0.322 5.863 1.00 0.23 H new ATOM 0 HH TYR A 28 -3.296 2.029 4.492 1.00 0.30 H new ATOM 239 N ARG A 29 3.167 -4.340 4.560 1.00 0.23 N ATOM 240 CA ARG A 29 4.335 -5.185 4.758 1.00 0.33 C ATOM 241 C ARG A 29 5.293 -5.009 3.591 1.00 0.24 C ATOM 242 O ARG A 29 4.912 -5.187 2.429 1.00 0.22 O ATOM 243 CB ARG A 29 3.929 -6.655 4.883 1.00 0.50 C ATOM 244 CG ARG A 29 5.108 -7.607 5.041 1.00 1.34 C ATOM 245 CD ARG A 29 4.653 -9.056 5.106 1.00 1.55 C ATOM 246 NE ARG A 29 3.795 -9.310 6.260 1.00 2.13 N ATOM 247 CZ ARG A 29 2.511 -9.659 6.178 1.00 2.75 C ATOM 248 NH1 ARG A 29 1.929 -9.805 4.993 1.00 2.84 N ATOM 249 NH2 ARG A 29 1.811 -9.866 7.283 1.00 3.69 N ATOM 0 H ARG A 29 2.992 -4.091 3.586 1.00 0.23 H new ATOM 0 HA ARG A 29 4.828 -4.888 5.684 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.266 -6.767 5.741 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.359 -6.941 3.999 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.795 -7.478 4.205 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.659 -7.357 5.948 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.115 -9.308 4.192 1.00 1.55 H new ATOM 0 HD3 ARG A 29 5.525 -9.708 5.153 1.00 1.55 H new ATOM 0 HE ARG A 29 4.205 -9.214 7.189 1.00 2.13 H new ATOM 0 HH11 ARG A 29 2.465 -9.650 4.139 1.00 2.84 H new ATOM 0 HH12 ARG A 29 0.946 -10.072 4.937 1.00 2.84 H new ATOM 0 HH21 ARG A 29 2.254 -9.758 8.195 1.00 3.69 H new ATOM 0 HH22 ARG A 29 0.828 -10.133 7.222 1.00 3.69 H new ATOM 263 N CYS A 30 6.525 -4.648 3.901 1.00 0.31 N ATOM 264 CA CYS A 30 7.523 -4.373 2.885 1.00 0.31 C ATOM 265 C CYS A 30 7.917 -5.662 2.172 1.00 0.27 C ATOM 266 O CYS A 30 8.264 -6.657 2.812 1.00 0.30 O ATOM 267 CB CYS A 30 8.746 -3.722 3.534 1.00 0.45 C ATOM 268 SG CYS A 30 9.570 -2.487 2.501 1.00 1.53 S ATOM 0 H CYS A 30 6.860 -4.538 4.858 1.00 0.31 H new ATOM 0 HA CYS A 30 7.107 -3.688 2.146 1.00 0.31 H new ATOM 0 HB2 CYS A 30 8.439 -3.251 4.468 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.464 -4.501 3.791 1.00 0.45 H new ATOM 0 HG CYS A 30 10.505 -3.060 1.802 1.00 1.53 H new ATOM 274 N VAL A 31 7.857 -5.645 0.844 1.00 0.26 N ATOM 275 CA VAL A 31 8.193 -6.823 0.060 1.00 0.28 C ATOM 276 C VAL A 31 9.698 -6.957 -0.037 1.00 0.27 C ATOM 277 O VAL A 31 10.241 -8.061 -0.062 1.00 0.32 O ATOM 278 CB VAL A 31 7.571 -6.794 -1.353 1.00 0.34 C ATOM 279 CG1 VAL A 31 6.057 -6.814 -1.262 1.00 1.15 C ATOM 280 CG2 VAL A 31 8.035 -5.589 -2.155 1.00 1.15 C ATOM 0 H VAL A 31 7.580 -4.832 0.293 1.00 0.26 H new ATOM 0 HA VAL A 31 7.772 -7.687 0.574 1.00 0.28 H new ATOM 0 HB VAL A 31 7.911 -7.687 -1.878 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.632 -6.793 -2.265 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.735 -7.721 -0.750 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.714 -5.942 -0.705 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.573 -5.609 -3.142 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.746 -4.674 -1.637 1.00 1.15 H new ATOM 0 HG23 VAL A 31 9.119 -5.618 -2.261 1.00 1.15 H new ATOM 290 N LYS A 32 10.366 -5.820 -0.084 1.00 0.24 N ATOM 291 CA LYS A 32 11.813 -5.770 0.007 1.00 0.26 C ATOM 292 C LYS A 32 12.226 -4.664 0.965 1.00 0.31 C ATOM 293 O LYS A 32 11.786 -3.522 0.828 1.00 0.31 O ATOM 294 CB LYS A 32 12.439 -5.477 -1.355 1.00 0.30 C ATOM 295 CG LYS A 32 13.962 -5.458 -1.318 1.00 0.61 C ATOM 296 CD LYS A 32 14.552 -4.933 -2.615 1.00 1.14 C ATOM 297 CE LYS A 32 16.042 -4.645 -2.476 1.00 1.37 C ATOM 298 NZ LYS A 32 16.317 -3.584 -1.463 1.00 2.25 N ATOM 0 H LYS A 32 9.922 -4.907 -0.186 1.00 0.24 H new ATOM 0 HA LYS A 32 12.159 -6.740 0.363 1.00 0.26 H new ATOM 0 HB2 LYS A 32 12.108 -6.230 -2.071 1.00 0.30 H new ATOM 0 HB3 LYS A 32 12.078 -4.514 -1.715 1.00 0.30 H new ATOM 0 HG2 LYS A 32 14.298 -4.836 -0.488 1.00 0.61 H new ATOM 0 HG3 LYS A 32 14.333 -6.466 -1.132 1.00 0.61 H new ATOM 0 HD2 LYS A 32 14.394 -5.663 -3.409 1.00 1.14 H new ATOM 0 HD3 LYS A 32 14.031 -4.023 -2.911 1.00 1.14 H new ATOM 0 HE2 LYS A 32 16.563 -5.560 -2.193 1.00 1.37 H new ATOM 0 HE3 LYS A 32 16.443 -4.336 -3.442 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 17.261 -3.181 -1.630 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 15.601 -2.834 -1.543 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 16.280 -3.997 -0.509 1.00 2.25 H new ATOM 312 N GLU A 33 13.068 -4.998 1.918 1.00 0.52 N ATOM 313 CA GLU A 33 13.611 -4.012 2.838 1.00 0.65 C ATOM 314 C GLU A 33 15.037 -4.380 3.205 1.00 0.98 C ATOM 315 O GLU A 33 15.344 -5.553 3.419 1.00 1.39 O ATOM 316 CB GLU A 33 12.748 -3.921 4.100 1.00 1.01 C ATOM 317 CG GLU A 33 13.129 -2.777 5.025 1.00 1.34 C ATOM 318 CD GLU A 33 12.276 -2.728 6.274 1.00 1.80 C ATOM 319 OE1 GLU A 33 11.078 -2.386 6.169 1.00 2.60 O ATOM 320 OE2 GLU A 33 12.792 -3.037 7.366 1.00 1.99 O ATOM 0 H GLU A 33 13.396 -5.950 2.080 1.00 0.52 H new ATOM 0 HA GLU A 33 13.608 -3.038 2.348 1.00 0.65 H new ATOM 0 HB2 GLU A 33 11.704 -3.806 3.807 1.00 1.01 H new ATOM 0 HB3 GLU A 33 12.824 -4.860 4.649 1.00 1.01 H new ATOM 0 HG2 GLU A 33 14.177 -2.878 5.309 1.00 1.34 H new ATOM 0 HG3 GLU A 33 13.034 -1.833 4.488 1.00 1.34 H new ATOM 327 N GLY A 34 15.910 -3.385 3.266 1.00 1.02 N ATOM 328 CA GLY A 34 17.288 -3.649 3.582 1.00 1.52 C ATOM 329 C GLY A 34 18.016 -4.298 2.429 1.00 1.29 C ATOM 330 O GLY A 34 17.651 -4.104 1.267 1.00 1.69 O ATOM 0 H GLY A 34 15.684 -2.404 3.102 1.00 1.02 H new ATOM 0 HA2 GLY A 34 17.785 -2.716 3.846 1.00 1.52 H new ATOM 0 HA3 GLY A 34 17.342 -4.297 4.457 1.00 1.52 H new ATOM 334 N GLY A 35 19.015 -5.093 2.754 1.00 1.53 N ATOM 335 CA GLY A 35 19.872 -5.666 1.747 1.00 1.64 C ATOM 336 C GLY A 35 21.243 -5.037 1.801 1.00 1.92 C ATOM 337 O GLY A 35 21.593 -4.426 2.813 1.00 2.13 O ATOM 0 H GLY A 35 19.250 -5.355 3.711 1.00 1.53 H new ATOM 0 HA2 GLY A 35 19.953 -6.742 1.899 1.00 1.64 H new ATOM 0 HA3 GLY A 35 19.435 -5.515 0.760 1.00 1.64 H new ATOM 341 N PRO A 36 22.047 -5.165 0.741 1.00 2.06 N ATOM 342 CA PRO A 36 23.367 -4.538 0.680 1.00 2.40 C ATOM 343 C PRO A 36 23.287 -3.017 0.789 1.00 2.43 C ATOM 344 O PRO A 36 22.228 -2.437 0.552 1.00 3.00 O ATOM 345 CB PRO A 36 23.906 -4.939 -0.696 1.00 2.51 C ATOM 346 CG PRO A 36 23.090 -6.112 -1.113 1.00 2.43 C ATOM 347 CD PRO A 36 21.746 -5.947 -0.466 1.00 2.06 C ATOM 0 HA PRO A 36 24.001 -4.859 1.506 1.00 2.40 H new ATOM 0 HB2 PRO A 36 23.811 -4.120 -1.409 1.00 2.51 H new ATOM 0 HB3 PRO A 36 24.964 -5.195 -0.644 1.00 2.51 H new ATOM 0 HG2 PRO A 36 22.996 -6.153 -2.198 1.00 2.43 H new ATOM 0 HG3 PRO A 36 23.560 -7.044 -0.798 1.00 2.43 H new ATOM 0 HD2 PRO A 36 21.046 -5.426 -1.119 1.00 2.06 H new ATOM 0 HD3 PRO A 36 21.297 -6.909 -0.220 1.00 2.06 H new ATOM 355 N ALA A 37 24.395 -2.380 1.142 1.00 2.18 N ATOM 356 CA ALA A 37 24.424 -0.932 1.355 1.00 2.20 C ATOM 357 C ALA A 37 23.804 -0.165 0.187 1.00 1.91 C ATOM 358 O ALA A 37 22.988 0.741 0.385 1.00 1.86 O ATOM 359 CB ALA A 37 25.854 -0.468 1.588 1.00 2.61 C ATOM 0 H ALA A 37 25.292 -2.843 1.289 1.00 2.18 H new ATOM 0 HA ALA A 37 23.823 -0.719 2.239 1.00 2.20 H new ATOM 0 HB1 ALA A 37 25.865 0.611 1.745 1.00 2.61 H new ATOM 0 HB2 ALA A 37 26.260 -0.967 2.468 1.00 2.61 H new ATOM 0 HB3 ALA A 37 26.463 -0.714 0.718 1.00 2.61 H new ATOM 365 N HIS A 38 24.173 -0.551 -1.031 1.00 1.80 N ATOM 366 CA HIS A 38 23.700 0.134 -2.234 1.00 1.61 C ATOM 367 C HIS A 38 22.223 -0.151 -2.504 1.00 1.37 C ATOM 368 O HIS A 38 21.590 0.537 -3.302 1.00 1.39 O ATOM 369 CB HIS A 38 24.542 -0.266 -3.459 1.00 1.69 C ATOM 370 CG HIS A 38 24.387 -1.699 -3.892 1.00 1.73 C ATOM 371 ND1 HIS A 38 25.292 -2.685 -3.567 1.00 2.01 N ATOM 372 CD2 HIS A 38 23.426 -2.309 -4.632 1.00 1.66 C ATOM 373 CE1 HIS A 38 24.895 -3.834 -4.080 1.00 2.10 C ATOM 374 NE2 HIS A 38 23.767 -3.634 -4.732 1.00 1.91 N ATOM 0 H HIS A 38 24.799 -1.335 -1.213 1.00 1.80 H new ATOM 0 HA HIS A 38 23.812 1.204 -2.058 1.00 1.61 H new ATOM 0 HB2 HIS A 38 24.274 0.382 -4.294 1.00 1.69 H new ATOM 0 HB3 HIS A 38 25.593 -0.080 -3.236 1.00 1.69 H new ATOM 0 HD2 HIS A 38 22.554 -1.838 -5.062 1.00 1.66 H new ATOM 0 HE1 HIS A 38 25.408 -4.779 -3.982 1.00 2.10 H new ATOM 0 HE2 HIS A 38 23.235 -4.348 -5.230 1.00 1.91 H new ATOM 383 N ALA A 39 21.674 -1.152 -1.834 1.00 1.26 N ATOM 384 CA ALA A 39 20.313 -1.588 -2.107 1.00 1.12 C ATOM 385 C ALA A 39 19.415 -1.391 -0.893 1.00 0.93 C ATOM 386 O ALA A 39 18.545 -2.211 -0.615 1.00 1.07 O ATOM 387 CB ALA A 39 20.305 -3.043 -2.537 1.00 1.28 C ATOM 0 H ALA A 39 22.148 -1.677 -1.099 1.00 1.26 H new ATOM 0 HA ALA A 39 19.919 -0.975 -2.918 1.00 1.12 H new ATOM 0 HB1 ALA A 39 19.281 -3.357 -2.738 1.00 1.28 H new ATOM 0 HB2 ALA A 39 20.904 -3.159 -3.440 1.00 1.28 H new ATOM 0 HB3 ALA A 39 20.724 -3.660 -1.742 1.00 1.28 H new ATOM 393 N LYS A 40 19.621 -0.291 -0.186 1.00 0.78 N ATOM 394 CA LYS A 40 18.824 0.029 0.992 1.00 0.61 C ATOM 395 C LYS A 40 17.525 0.724 0.588 1.00 0.43 C ATOM 396 O LYS A 40 16.922 1.450 1.375 1.00 0.39 O ATOM 397 CB LYS A 40 19.601 0.899 1.977 1.00 0.71 C ATOM 398 CG LYS A 40 19.250 0.631 3.434 1.00 0.90 C ATOM 399 CD LYS A 40 19.816 -0.694 3.919 1.00 0.86 C ATOM 400 CE LYS A 40 19.507 -0.922 5.391 1.00 1.03 C ATOM 401 NZ LYS A 40 20.111 -2.179 5.903 1.00 1.93 N ATOM 0 H LYS A 40 20.338 0.400 -0.408 1.00 0.78 H new ATOM 0 HA LYS A 40 18.585 -0.910 1.490 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.668 0.733 1.832 1.00 0.71 H new ATOM 0 HB3 LYS A 40 19.409 1.948 1.753 1.00 0.71 H new ATOM 0 HG2 LYS A 40 19.636 1.440 4.055 1.00 0.90 H new ATOM 0 HG3 LYS A 40 18.166 0.628 3.552 1.00 0.90 H new ATOM 0 HD2 LYS A 40 19.398 -1.509 3.327 1.00 0.86 H new ATOM 0 HD3 LYS A 40 20.895 -0.709 3.765 1.00 0.86 H new ATOM 0 HE2 LYS A 40 19.879 -0.079 5.973 1.00 1.03 H new ATOM 0 HE3 LYS A 40 18.427 -0.956 5.533 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 19.874 -2.293 6.909 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 19.738 -2.987 5.366 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 21.144 -2.138 5.793 1.00 1.93 H new ATOM 415 N ARG A 41 17.134 0.553 -0.662 1.00 0.39 N ATOM 416 CA ARG A 41 15.855 1.074 -1.111 1.00 0.33 C ATOM 417 C ARG A 41 14.786 0.075 -0.720 1.00 0.28 C ATOM 418 O ARG A 41 14.991 -1.139 -0.813 1.00 0.36 O ATOM 419 CB ARG A 41 15.809 1.304 -2.627 1.00 0.39 C ATOM 420 CG ARG A 41 16.995 2.080 -3.183 1.00 1.16 C ATOM 421 CD ARG A 41 16.948 3.549 -2.783 1.00 1.48 C ATOM 422 NE ARG A 41 15.763 4.228 -3.309 1.00 2.15 N ATOM 423 CZ ARG A 41 15.689 5.541 -3.529 1.00 2.71 C ATOM 424 NH1 ARG A 41 16.741 6.321 -3.305 1.00 2.69 N ATOM 425 NH2 ARG A 41 14.559 6.072 -3.979 1.00 3.64 N ATOM 0 H ARG A 41 17.675 0.065 -1.376 1.00 0.39 H new ATOM 0 HA ARG A 41 15.693 2.044 -0.641 1.00 0.33 H new ATOM 0 HB2 ARG A 41 15.757 0.337 -3.127 1.00 0.39 H new ATOM 0 HB3 ARG A 41 14.892 1.840 -2.873 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.922 1.635 -2.822 1.00 1.16 H new ATOM 0 HG3 ARG A 41 17.005 1.999 -4.270 1.00 1.16 H new ATOM 0 HD2 ARG A 41 16.957 3.628 -1.696 1.00 1.48 H new ATOM 0 HD3 ARG A 41 17.844 4.052 -3.147 1.00 1.48 H new ATOM 0 HE ARG A 41 14.942 3.661 -3.521 1.00 2.15 H new ATOM 0 HH11 ARG A 41 17.612 5.916 -2.963 1.00 2.69 H new ATOM 0 HH12 ARG A 41 16.677 7.325 -3.476 1.00 2.69 H new ATOM 0 HH21 ARG A 41 13.750 5.476 -4.156 1.00 3.64 H new ATOM 0 HH22 ARG A 41 14.499 7.076 -4.148 1.00 3.64 H new ATOM 439 N PHE A 42 13.659 0.578 -0.266 1.00 0.23 N ATOM 440 CA PHE A 42 12.618 -0.270 0.266 1.00 0.24 C ATOM 441 C PHE A 42 11.422 -0.265 -0.660 1.00 0.19 C ATOM 442 O PHE A 42 10.951 0.789 -1.084 1.00 0.20 O ATOM 443 CB PHE A 42 12.205 0.197 1.665 1.00 0.32 C ATOM 444 CG PHE A 42 13.368 0.527 2.563 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.455 -0.329 2.672 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.375 1.701 3.292 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.522 -0.016 3.494 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.436 2.018 4.114 1.00 0.37 C ATOM 449 CZ PHE A 42 15.511 1.159 4.217 1.00 0.46 C ATOM 0 H PHE A 42 13.441 1.574 -0.255 1.00 0.23 H new ATOM 0 HA PHE A 42 13.004 -1.287 0.342 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.569 1.077 1.571 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.604 -0.581 2.135 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.468 -1.250 2.108 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.538 2.380 3.217 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.362 -0.690 3.570 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.426 2.939 4.678 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.341 1.406 4.862 1.00 0.46 H new ATOM 459 N THR A 43 10.951 -1.450 -0.971 1.00 0.17 N ATOM 460 CA THR A 43 9.829 -1.626 -1.863 1.00 0.17 C ATOM 461 C THR A 43 8.719 -2.309 -1.086 1.00 0.17 C ATOM 462 O THR A 43 8.963 -3.339 -0.456 1.00 0.24 O ATOM 463 CB THR A 43 10.238 -2.494 -3.072 1.00 0.20 C ATOM 464 OG1 THR A 43 11.469 -2.005 -3.628 1.00 0.26 O ATOM 465 CG2 THR A 43 9.159 -2.483 -4.143 1.00 0.25 C ATOM 0 H THR A 43 11.337 -2.323 -0.611 1.00 0.17 H new ATOM 0 HA THR A 43 9.492 -0.660 -2.239 1.00 0.17 H new ATOM 0 HB THR A 43 10.371 -3.519 -2.725 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.725 -2.560 -4.394 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.474 -3.102 -4.983 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.231 -2.877 -3.729 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.998 -1.461 -4.486 1.00 0.25 H new ATOM 473 N PHE A 44 7.516 -1.757 -1.089 1.00 0.14 N ATOM 474 CA PHE A 44 6.442 -2.284 -0.269 1.00 0.12 C ATOM 475 C PHE A 44 5.141 -2.278 -1.074 1.00 0.13 C ATOM 476 O PHE A 44 4.965 -1.440 -1.957 1.00 0.16 O ATOM 477 CB PHE A 44 6.311 -1.427 1.009 1.00 0.14 C ATOM 478 CG PHE A 44 4.903 -1.220 1.466 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.200 -2.260 2.035 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.296 0.015 1.354 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.915 -2.072 2.483 1.00 0.16 C ATOM 482 CE2 PHE A 44 3.013 0.207 1.806 1.00 0.17 C ATOM 483 CZ PHE A 44 2.284 -0.838 2.248 1.00 0.15 C ATOM 0 H PHE A 44 7.261 -0.945 -1.651 1.00 0.14 H new ATOM 0 HA PHE A 44 6.659 -3.311 0.025 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.875 -1.902 1.811 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.770 -0.455 0.830 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.663 -3.231 2.129 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.835 0.837 0.907 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.397 -2.861 3.008 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.586 1.199 1.807 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.224 -0.728 2.420 1.00 0.15 H new ATOM 493 N GLY A 45 4.243 -3.212 -0.774 1.00 0.13 N ATOM 494 CA GLY A 45 2.962 -3.259 -1.452 1.00 0.17 C ATOM 495 C GLY A 45 1.797 -3.312 -0.480 1.00 0.15 C ATOM 496 O GLY A 45 1.860 -4.019 0.528 1.00 0.15 O ATOM 0 H GLY A 45 4.381 -3.938 -0.071 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.859 -2.382 -2.091 1.00 0.17 H new ATOM 0 HA3 GLY A 45 2.930 -4.133 -2.102 1.00 0.17 H new ATOM 500 N VAL A 46 0.714 -2.607 -0.799 1.00 0.15 N ATOM 501 CA VAL A 46 -0.443 -2.528 0.093 1.00 0.15 C ATOM 502 C VAL A 46 -1.585 -3.349 -0.479 1.00 0.14 C ATOM 503 O VAL A 46 -1.639 -3.577 -1.686 1.00 0.19 O ATOM 504 CB VAL A 46 -0.977 -1.086 0.243 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.571 -0.877 1.625 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.089 -0.052 -0.058 1.00 0.76 C ATOM 0 H VAL A 46 0.612 -2.082 -1.668 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.108 -2.897 1.062 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.768 -0.950 -0.495 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.942 0.144 1.711 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.394 -1.576 1.777 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.804 -1.050 2.380 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.330 0.947 0.060 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.924 -0.179 0.631 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.441 -0.180 -1.082 1.00 0.76 H new ATOM 516 N ARG A 47 -2.495 -3.789 0.372 1.00 0.15 N ATOM 517 CA ARG A 47 -3.698 -4.462 -0.079 1.00 0.18 C ATOM 518 C ARG A 47 -4.845 -4.099 0.858 1.00 0.15 C ATOM 519 O ARG A 47 -4.620 -3.853 2.047 1.00 0.19 O ATOM 520 CB ARG A 47 -3.489 -5.986 -0.136 1.00 0.33 C ATOM 521 CG ARG A 47 -2.971 -6.594 1.156 1.00 0.66 C ATOM 522 CD ARG A 47 -2.678 -8.080 1.009 1.00 1.02 C ATOM 523 NE ARG A 47 -1.465 -8.336 0.234 1.00 1.43 N ATOM 524 CZ ARG A 47 -1.205 -9.488 -0.383 1.00 1.85 C ATOM 525 NH1 ARG A 47 -2.091 -10.477 -0.369 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.053 -9.648 -1.014 1.00 2.62 N ATOM 0 H ARG A 47 -2.422 -3.691 1.385 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.940 -4.134 -1.090 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.435 -6.461 -0.394 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.788 -6.215 -0.939 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.064 -6.074 1.463 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.706 -6.446 1.947 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -2.575 -8.527 1.998 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -3.524 -8.568 0.526 1.00 1.02 H new ATOM 0 HE ARG A 47 -0.776 -7.587 0.161 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -2.980 -10.359 0.117 1.00 1.99 H new ATOM 0 HH12 ARG A 47 -1.883 -11.355 -0.844 1.00 1.99 H new ATOM 0 HH21 ARG A 47 0.631 -8.891 -1.026 1.00 2.62 H new ATOM 0 HH22 ARG A 47 0.151 -10.528 -1.488 1.00 2.62 H new ATOM 540 N VAL A 48 -6.056 -4.034 0.322 1.00 0.13 N ATOM 541 CA VAL A 48 -7.235 -3.681 1.114 1.00 0.13 C ATOM 542 C VAL A 48 -8.308 -4.760 0.992 1.00 0.12 C ATOM 543 O VAL A 48 -8.377 -5.459 -0.017 1.00 0.13 O ATOM 544 CB VAL A 48 -7.811 -2.315 0.672 1.00 0.15 C ATOM 545 CG1 VAL A 48 -9.095 -1.984 1.415 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.787 -1.221 0.895 1.00 0.22 C ATOM 0 H VAL A 48 -6.252 -4.221 -0.661 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.925 -3.606 2.156 1.00 0.13 H new ATOM 0 HB VAL A 48 -8.046 -2.381 -0.390 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.471 -1.018 1.079 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.840 -2.753 1.214 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.896 -1.943 2.486 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -7.203 -0.264 0.580 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.529 -1.174 1.953 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.891 -1.437 0.312 1.00 0.22 H new ATOM 556 N ASN A 49 -9.139 -4.893 2.021 1.00 0.13 N ATOM 557 CA ASN A 49 -10.181 -5.910 2.032 1.00 0.15 C ATOM 558 C ASN A 49 -11.498 -5.318 1.541 1.00 0.16 C ATOM 559 O ASN A 49 -12.332 -4.861 2.321 1.00 0.18 O ATOM 560 CB ASN A 49 -10.345 -6.509 3.432 1.00 0.20 C ATOM 561 CG ASN A 49 -11.247 -7.731 3.437 1.00 0.66 C ATOM 562 OD1 ASN A 49 -11.356 -8.444 2.438 1.00 1.59 O ATOM 563 ND2 ASN A 49 -11.879 -7.997 4.568 1.00 1.21 N ATOM 0 H ASN A 49 -9.110 -4.309 2.857 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.886 -6.713 1.357 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.365 -6.782 3.824 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.757 -5.754 4.101 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -12.482 -8.817 4.635 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -11.763 -7.382 5.374 1.00 1.21 H new ATOM 570 N THR A 50 -11.640 -5.321 0.231 1.00 0.17 N ATOM 571 CA THR A 50 -12.853 -4.817 -0.400 1.00 0.21 C ATOM 572 C THR A 50 -14.019 -5.735 -0.058 1.00 0.25 C ATOM 573 O THR A 50 -14.048 -6.897 -0.447 1.00 0.33 O ATOM 574 CB THR A 50 -12.723 -4.651 -1.929 1.00 0.27 C ATOM 575 OG1 THR A 50 -12.280 -5.867 -2.541 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.758 -3.526 -2.265 1.00 0.29 C ATOM 0 H THR A 50 -10.935 -5.665 -0.420 1.00 0.17 H new ATOM 0 HA THR A 50 -13.032 -3.817 -0.004 1.00 0.21 H new ATOM 0 HB THR A 50 -13.709 -4.403 -2.321 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.372 -6.075 -2.235 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.680 -3.425 -3.347 1.00 0.29 H new ATOM 0 HG22 THR A 50 -12.125 -2.592 -1.839 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.776 -3.753 -1.850 1.00 0.29 H new ATOM 584 N SER A 51 -14.956 -5.208 0.714 1.00 0.25 N ATOM 585 CA SER A 51 -16.079 -5.980 1.234 1.00 0.30 C ATOM 586 C SER A 51 -16.830 -6.728 0.127 1.00 0.33 C ATOM 587 O SER A 51 -17.437 -7.769 0.378 1.00 0.42 O ATOM 588 CB SER A 51 -17.034 -5.046 1.982 1.00 0.35 C ATOM 589 OG SER A 51 -18.032 -5.763 2.691 1.00 1.32 O ATOM 0 H SER A 51 -14.961 -4.229 1.000 1.00 0.25 H new ATOM 0 HA SER A 51 -15.682 -6.732 1.916 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.466 -4.430 2.679 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.509 -4.369 1.272 1.00 0.35 H new ATOM 0 HG SER A 51 -18.620 -5.132 3.156 1.00 1.32 H new ATOM 595 N ASP A 52 -16.772 -6.211 -1.091 1.00 0.33 N ATOM 596 CA ASP A 52 -17.510 -6.803 -2.197 1.00 0.41 C ATOM 597 C ASP A 52 -16.659 -7.781 -3.013 1.00 0.31 C ATOM 598 O ASP A 52 -17.204 -8.589 -3.763 1.00 0.37 O ATOM 599 CB ASP A 52 -18.059 -5.711 -3.114 1.00 0.64 C ATOM 600 CG ASP A 52 -16.983 -5.026 -3.934 1.00 0.82 C ATOM 601 OD1 ASP A 52 -16.123 -4.341 -3.339 1.00 0.85 O ATOM 602 OD2 ASP A 52 -17.006 -5.155 -5.177 1.00 1.30 O ATOM 0 H ASP A 52 -16.224 -5.387 -1.338 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.333 -7.368 -1.760 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.798 -6.147 -3.787 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -18.578 -4.966 -2.511 1.00 0.64 H new ATOM 607 N ARG A 53 -15.337 -7.736 -2.868 1.00 0.28 N ATOM 608 CA ARG A 53 -14.470 -8.577 -3.693 1.00 0.28 C ATOM 609 C ARG A 53 -13.415 -9.295 -2.847 1.00 0.24 C ATOM 610 O ARG A 53 -13.216 -10.502 -2.985 1.00 0.29 O ATOM 611 CB ARG A 53 -13.805 -7.733 -4.785 1.00 0.42 C ATOM 612 CG ARG A 53 -13.070 -8.553 -5.832 1.00 1.14 C ATOM 613 CD ARG A 53 -12.664 -7.702 -7.027 1.00 1.45 C ATOM 614 NE ARG A 53 -11.686 -6.672 -6.678 1.00 2.15 N ATOM 615 CZ ARG A 53 -11.841 -5.373 -6.937 1.00 2.81 C ATOM 616 NH1 ARG A 53 -12.990 -4.918 -7.431 1.00 3.05 N ATOM 617 NH2 ARG A 53 -10.851 -4.525 -6.683 1.00 3.68 N ATOM 0 H ARG A 53 -14.849 -7.139 -2.201 1.00 0.28 H new ATOM 0 HA ARG A 53 -15.088 -9.342 -4.163 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -14.567 -7.129 -5.279 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -13.102 -7.042 -4.320 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -12.182 -9.002 -5.386 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -13.707 -9.371 -6.167 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -12.247 -8.346 -7.802 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -13.550 -7.228 -7.449 1.00 1.45 H new ATOM 0 HE ARG A 53 -10.831 -6.966 -6.206 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -13.758 -5.564 -7.614 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -13.103 -3.923 -7.627 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -9.974 -4.868 -6.291 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -10.968 -3.531 -6.880 1.00 3.68 H new ATOM 631 N GLY A 54 -12.766 -8.557 -1.957 1.00 0.18 N ATOM 632 CA GLY A 54 -11.794 -9.148 -1.060 1.00 0.19 C ATOM 633 C GLY A 54 -10.456 -8.448 -1.090 1.00 0.17 C ATOM 634 O GLY A 54 -10.371 -7.272 -1.452 1.00 0.17 O ATOM 0 H GLY A 54 -12.897 -7.552 -1.840 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.186 -9.125 -0.043 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.655 -10.196 -1.325 1.00 0.19 H new ATOM 638 N TRP A 55 -9.421 -9.162 -0.673 1.00 0.18 N ATOM 639 CA TRP A 55 -8.062 -8.647 -0.738 1.00 0.18 C ATOM 640 C TRP A 55 -7.739 -8.154 -2.143 1.00 0.19 C ATOM 641 O TRP A 55 -7.779 -8.921 -3.107 1.00 0.24 O ATOM 642 CB TRP A 55 -7.052 -9.715 -0.322 1.00 0.24 C ATOM 643 CG TRP A 55 -6.727 -9.724 1.144 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.704 -10.808 1.973 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.368 -8.598 1.952 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.336 -10.424 3.240 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.127 -9.071 3.252 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.222 -7.237 1.703 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.743 -8.227 4.291 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.846 -6.405 2.739 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.608 -6.899 4.015 1.00 0.27 C ATOM 0 H TRP A 55 -9.497 -10.102 -0.285 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.992 -7.810 -0.044 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.441 -10.694 -0.601 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.131 -9.565 -0.885 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.940 -11.819 1.677 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.235 -11.046 4.042 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.400 -6.838 0.715 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.558 -8.612 5.283 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.735 -5.347 2.553 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.311 -6.220 4.801 1.00 0.27 H new ATOM 662 N THR A 56 -7.444 -6.871 -2.248 1.00 0.18 N ATOM 663 CA THR A 56 -7.119 -6.258 -3.522 1.00 0.22 C ATOM 664 C THR A 56 -5.749 -6.703 -4.007 1.00 0.26 C ATOM 665 O THR A 56 -4.932 -7.199 -3.222 1.00 0.36 O ATOM 666 CB THR A 56 -7.129 -4.724 -3.421 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.230 -4.291 -2.391 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.527 -4.206 -3.133 1.00 0.24 C ATOM 0 H THR A 56 -7.423 -6.228 -1.457 1.00 0.18 H new ATOM 0 HA THR A 56 -7.881 -6.579 -4.232 1.00 0.22 H new ATOM 0 HB THR A 56 -6.802 -4.320 -4.379 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.242 -3.313 -2.336 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.505 -3.118 -3.067 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.199 -4.507 -3.936 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.881 -4.620 -2.189 1.00 0.24 H new ATOM 676 N ASP A 57 -5.506 -6.529 -5.297 1.00 0.30 N ATOM 677 CA ASP A 57 -4.192 -6.786 -5.859 1.00 0.34 C ATOM 678 C ASP A 57 -3.185 -5.856 -5.213 1.00 0.23 C ATOM 679 O ASP A 57 -3.378 -4.636 -5.167 1.00 0.35 O ATOM 680 CB ASP A 57 -4.191 -6.612 -7.380 1.00 0.49 C ATOM 681 CG ASP A 57 -4.572 -5.212 -7.828 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.766 -4.855 -7.731 1.00 0.98 O ATOM 683 OD2 ASP A 57 -3.678 -4.469 -8.295 1.00 1.84 O ATOM 0 H ASP A 57 -6.201 -6.211 -5.972 1.00 0.30 H new ATOM 0 HA ASP A 57 -3.918 -7.821 -5.653 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -3.200 -6.851 -7.765 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -4.885 -7.328 -7.820 1.00 0.49 H new ATOM 688 N GLU A 58 -2.139 -6.448 -4.673 1.00 0.27 N ATOM 689 CA GLU A 58 -1.160 -5.707 -3.907 1.00 0.27 C ATOM 690 C GLU A 58 -0.518 -4.616 -4.744 1.00 0.23 C ATOM 691 O GLU A 58 0.021 -4.863 -5.826 1.00 0.28 O ATOM 692 CB GLU A 58 -0.109 -6.640 -3.323 1.00 0.42 C ATOM 693 CG GLU A 58 0.867 -5.945 -2.397 1.00 0.44 C ATOM 694 CD GLU A 58 1.746 -6.916 -1.644 1.00 0.67 C ATOM 695 OE1 GLU A 58 1.316 -7.405 -0.581 1.00 1.00 O ATOM 696 OE2 GLU A 58 2.865 -7.200 -2.105 1.00 0.83 O ATOM 0 H GLU A 58 -1.945 -7.446 -4.752 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.679 -5.225 -3.079 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.608 -7.441 -2.777 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.445 -7.106 -4.138 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.494 -5.268 -2.978 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.313 -5.334 -1.684 1.00 0.44 H new ATOM 703 N CYS A 59 -0.600 -3.408 -4.230 1.00 0.19 N ATOM 704 CA CYS A 59 -0.105 -2.235 -4.925 1.00 0.20 C ATOM 705 C CYS A 59 1.293 -1.884 -4.441 1.00 0.17 C ATOM 706 O CYS A 59 1.461 -1.282 -3.379 1.00 0.17 O ATOM 707 CB CYS A 59 -1.058 -1.060 -4.701 1.00 0.27 C ATOM 708 SG CYS A 59 -2.779 -1.429 -5.120 1.00 0.36 S ATOM 0 H CYS A 59 -1.012 -3.209 -3.318 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.054 -2.450 -5.992 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -1.005 -0.755 -3.656 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.722 -0.212 -5.298 1.00 0.27 H new ATOM 0 HG CYS A 59 -2.958 -2.717 -5.126 1.00 0.36 H new ATOM 714 N ILE A 60 2.291 -2.293 -5.209 1.00 0.18 N ATOM 715 CA ILE A 60 3.678 -2.034 -4.876 1.00 0.16 C ATOM 716 C ILE A 60 4.036 -0.586 -5.185 1.00 0.16 C ATOM 717 O ILE A 60 3.817 -0.098 -6.295 1.00 0.18 O ATOM 718 CB ILE A 60 4.622 -2.994 -5.647 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.677 -4.373 -4.979 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.023 -2.419 -5.751 1.00 0.27 C ATOM 721 CD1 ILE A 60 3.337 -5.050 -4.837 1.00 0.74 C ATOM 0 H ILE A 60 2.160 -2.812 -6.077 1.00 0.18 H new ATOM 0 HA ILE A 60 3.808 -2.210 -3.808 1.00 0.16 H new ATOM 0 HB ILE A 60 4.215 -3.108 -6.652 1.00 0.21 H new ATOM 0 HG12 ILE A 60 5.337 -5.018 -5.559 1.00 0.44 H new ATOM 0 HG13 ILE A 60 5.123 -4.267 -3.990 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.662 -3.114 -6.296 1.00 0.27 H new ATOM 0 HG22 ILE A 60 5.987 -1.467 -6.281 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.427 -2.263 -4.751 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.468 -6.019 -4.355 1.00 0.74 H new ATOM 0 HD12 ILE A 60 2.678 -4.429 -4.230 1.00 0.74 H new ATOM 0 HD13 ILE A 60 2.895 -5.192 -5.823 1.00 0.74 H new ATOM 733 N GLY A 61 4.580 0.090 -4.187 1.00 0.16 N ATOM 734 CA GLY A 61 4.975 1.473 -4.343 1.00 0.20 C ATOM 735 C GLY A 61 6.356 1.620 -4.944 1.00 0.21 C ATOM 736 O GLY A 61 6.929 0.657 -5.455 1.00 0.23 O ATOM 0 H GLY A 61 4.757 -0.300 -3.261 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.251 1.984 -4.977 1.00 0.20 H new ATOM 0 HA3 GLY A 61 4.952 1.965 -3.371 1.00 0.20 H new ATOM 740 N GLU A 62 6.897 2.822 -4.871 1.00 0.27 N ATOM 741 CA GLU A 62 8.197 3.113 -5.441 1.00 0.31 C ATOM 742 C GLU A 62 9.288 2.892 -4.398 1.00 0.25 C ATOM 743 O GLU A 62 9.127 3.279 -3.240 1.00 0.29 O ATOM 744 CB GLU A 62 8.221 4.554 -5.947 1.00 0.47 C ATOM 745 CG GLU A 62 7.157 4.840 -6.997 1.00 0.79 C ATOM 746 CD GLU A 62 7.192 6.270 -7.490 1.00 1.07 C ATOM 747 OE1 GLU A 62 8.210 6.677 -8.091 1.00 1.37 O ATOM 748 OE2 GLU A 62 6.194 6.993 -7.297 1.00 1.32 O ATOM 0 H GLU A 62 6.450 3.619 -4.418 1.00 0.27 H new ATOM 0 HA GLU A 62 8.384 2.441 -6.279 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.081 5.230 -5.104 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.204 4.768 -6.367 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.296 4.165 -7.842 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.173 4.628 -6.578 1.00 0.79 H new ATOM 755 N PRO A 63 10.398 2.239 -4.793 1.00 0.24 N ATOM 756 CA PRO A 63 11.530 1.966 -3.897 1.00 0.24 C ATOM 757 C PRO A 63 12.063 3.233 -3.242 1.00 0.21 C ATOM 758 O PRO A 63 12.603 4.118 -3.910 1.00 0.24 O ATOM 759 CB PRO A 63 12.586 1.358 -4.823 1.00 0.32 C ATOM 760 CG PRO A 63 11.809 0.791 -5.957 1.00 0.51 C ATOM 761 CD PRO A 63 10.632 1.706 -6.145 1.00 0.30 C ATOM 0 HA PRO A 63 11.246 1.313 -3.072 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.294 2.112 -5.166 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.163 0.587 -4.313 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.416 0.743 -6.861 1.00 0.51 H new ATOM 0 HG3 PRO A 63 11.483 -0.226 -5.738 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.850 2.501 -6.858 1.00 0.30 H new ATOM 0 HD3 PRO A 63 9.761 1.169 -6.522 1.00 0.30 H new ATOM 769 N MET A 64 11.931 3.300 -1.930 1.00 0.19 N ATOM 770 CA MET A 64 12.234 4.507 -1.179 1.00 0.20 C ATOM 771 C MET A 64 13.442 4.308 -0.283 1.00 0.21 C ATOM 772 O MET A 64 13.724 3.195 0.145 1.00 0.26 O ATOM 773 CB MET A 64 11.034 4.898 -0.322 1.00 0.24 C ATOM 774 CG MET A 64 9.925 5.567 -1.101 1.00 0.32 C ATOM 775 SD MET A 64 10.469 7.103 -1.865 1.00 0.62 S ATOM 776 CE MET A 64 8.899 7.779 -2.381 1.00 0.67 C ATOM 0 H MET A 64 11.611 2.521 -1.354 1.00 0.19 H new ATOM 0 HA MET A 64 12.457 5.299 -1.893 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.638 4.006 0.163 1.00 0.24 H new ATOM 0 HB3 MET A 64 11.367 5.570 0.469 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.563 4.887 -1.872 1.00 0.32 H new ATOM 0 HG3 MET A 64 9.086 5.770 -0.435 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.060 8.737 -2.875 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.416 7.090 -3.074 1.00 0.67 H new ATOM 0 HE3 MET A 64 8.261 7.923 -1.509 1.00 0.67 H new ATOM 786 N PRO A 65 14.174 5.389 0.013 1.00 0.23 N ATOM 787 CA PRO A 65 15.334 5.337 0.898 1.00 0.26 C ATOM 788 C PRO A 65 14.961 5.461 2.377 1.00 0.25 C ATOM 789 O PRO A 65 15.835 5.628 3.228 1.00 0.27 O ATOM 790 CB PRO A 65 16.146 6.547 0.449 1.00 0.31 C ATOM 791 CG PRO A 65 15.124 7.541 0.009 1.00 0.32 C ATOM 792 CD PRO A 65 13.950 6.750 -0.515 1.00 0.29 C ATOM 0 HA PRO A 65 15.862 4.386 0.829 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.757 6.939 1.262 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.825 6.290 -0.364 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.822 8.179 0.839 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.527 8.194 -0.765 1.00 0.32 H new ATOM 0 HD2 PRO A 65 13.003 7.163 -0.167 1.00 0.29 H new ATOM 0 HD3 PRO A 65 13.919 6.756 -1.605 1.00 0.29 H new ATOM 800 N SER A 66 13.666 5.393 2.683 1.00 0.23 N ATOM 801 CA SER A 66 13.192 5.448 4.060 1.00 0.24 C ATOM 802 C SER A 66 11.830 4.766 4.157 1.00 0.22 C ATOM 803 O SER A 66 10.974 4.934 3.286 1.00 0.20 O ATOM 804 CB SER A 66 13.101 6.900 4.540 1.00 0.29 C ATOM 805 OG SER A 66 14.380 7.510 4.552 1.00 1.30 O ATOM 0 H SER A 66 12.924 5.299 1.989 1.00 0.23 H new ATOM 0 HA SER A 66 13.900 4.924 4.702 1.00 0.24 H new ATOM 0 HB2 SER A 66 12.432 7.462 3.888 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.670 6.930 5.541 1.00 0.29 H new ATOM 0 HG SER A 66 15.050 6.872 4.229 1.00 1.30 H new ATOM 811 N VAL A 67 11.648 3.996 5.226 1.00 0.25 N ATOM 812 CA VAL A 67 10.486 3.117 5.367 1.00 0.26 C ATOM 813 C VAL A 67 9.174 3.888 5.490 1.00 0.25 C ATOM 814 O VAL A 67 8.121 3.388 5.097 1.00 0.29 O ATOM 815 CB VAL A 67 10.631 2.176 6.583 1.00 0.37 C ATOM 816 CG1 VAL A 67 11.802 1.229 6.391 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.799 2.968 7.870 1.00 1.08 C ATOM 0 H VAL A 67 12.295 3.962 6.014 1.00 0.25 H new ATOM 0 HA VAL A 67 10.452 2.528 4.451 1.00 0.26 H new ATOM 0 HB VAL A 67 9.716 1.588 6.661 1.00 0.37 H new ATOM 0 HG11 VAL A 67 11.887 0.575 7.259 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.640 0.627 5.497 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.721 1.805 6.279 1.00 1.14 H new ATOM 0 HG21 VAL A 67 10.899 2.280 8.710 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.692 3.589 7.801 1.00 1.08 H new ATOM 0 HG23 VAL A 67 9.927 3.603 8.023 1.00 1.08 H new ATOM 827 N LYS A 68 9.236 5.105 6.014 1.00 0.29 N ATOM 828 CA LYS A 68 8.024 5.878 6.252 1.00 0.32 C ATOM 829 C LYS A 68 7.423 6.371 4.941 1.00 0.30 C ATOM 830 O LYS A 68 6.210 6.296 4.743 1.00 0.33 O ATOM 831 CB LYS A 68 8.305 7.058 7.183 1.00 0.41 C ATOM 832 CG LYS A 68 8.820 6.650 8.555 1.00 1.12 C ATOM 833 CD LYS A 68 7.806 5.804 9.312 1.00 1.56 C ATOM 834 CE LYS A 68 8.299 5.460 10.710 1.00 2.37 C ATOM 835 NZ LYS A 68 9.571 4.688 10.681 1.00 2.82 N ATOM 0 H LYS A 68 10.102 5.574 6.280 1.00 0.29 H new ATOM 0 HA LYS A 68 7.301 5.221 6.735 1.00 0.32 H new ATOM 0 HB2 LYS A 68 9.036 7.714 6.711 1.00 0.41 H new ATOM 0 HB3 LYS A 68 7.390 7.637 7.306 1.00 0.41 H new ATOM 0 HG2 LYS A 68 9.749 6.090 8.443 1.00 1.12 H new ATOM 0 HG3 LYS A 68 9.054 7.542 9.135 1.00 1.12 H new ATOM 0 HD2 LYS A 68 6.861 6.342 9.381 1.00 1.56 H new ATOM 0 HD3 LYS A 68 7.611 4.886 8.758 1.00 1.56 H new ATOM 0 HE2 LYS A 68 8.446 6.378 11.278 1.00 2.37 H new ATOM 0 HE3 LYS A 68 7.536 4.881 11.231 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 9.808 4.373 11.643 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 9.460 3.859 10.063 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 10.335 5.292 10.316 1.00 2.82 H new ATOM 849 N LYS A 69 8.270 6.843 4.031 1.00 0.29 N ATOM 850 CA LYS A 69 7.789 7.347 2.750 1.00 0.32 C ATOM 851 C LYS A 69 7.522 6.191 1.793 1.00 0.24 C ATOM 852 O LYS A 69 6.823 6.352 0.793 1.00 0.24 O ATOM 853 CB LYS A 69 8.758 8.360 2.132 1.00 0.47 C ATOM 854 CG LYS A 69 10.169 7.843 1.958 1.00 0.57 C ATOM 855 CD LYS A 69 11.045 8.832 1.195 1.00 0.45 C ATOM 856 CE LYS A 69 11.047 10.215 1.834 1.00 0.90 C ATOM 857 NZ LYS A 69 11.956 11.156 1.123 1.00 1.36 N ATOM 0 H LYS A 69 9.282 6.887 4.155 1.00 0.29 H new ATOM 0 HA LYS A 69 6.852 7.874 2.932 1.00 0.32 H new ATOM 0 HB2 LYS A 69 8.373 8.667 1.160 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.784 9.250 2.760 1.00 0.47 H new ATOM 0 HG2 LYS A 69 10.608 7.648 2.937 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.145 6.893 1.425 1.00 0.57 H new ATOM 0 HD2 LYS A 69 12.066 8.452 1.153 1.00 0.45 H new ATOM 0 HD3 LYS A 69 10.691 8.910 0.167 1.00 0.45 H new ATOM 0 HE2 LYS A 69 10.034 10.617 1.831 1.00 0.90 H new ATOM 0 HE3 LYS A 69 11.354 10.132 2.877 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 11.928 12.085 1.590 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 12.927 10.786 1.148 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 11.648 11.256 0.135 1.00 1.36 H new ATOM 871 N ALA A 70 8.093 5.024 2.100 1.00 0.21 N ATOM 872 CA ALA A 70 7.805 3.810 1.345 1.00 0.19 C ATOM 873 C ALA A 70 6.310 3.515 1.364 1.00 0.16 C ATOM 874 O ALA A 70 5.671 3.445 0.310 1.00 0.17 O ATOM 875 CB ALA A 70 8.590 2.632 1.907 1.00 0.21 C ATOM 0 H ALA A 70 8.756 4.898 2.865 1.00 0.21 H new ATOM 0 HA ALA A 70 8.113 3.965 0.311 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.362 1.735 1.331 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.658 2.843 1.844 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.313 2.474 2.949 1.00 0.21 H new ATOM 881 N LYS A 71 5.755 3.340 2.570 1.00 0.15 N ATOM 882 CA LYS A 71 4.320 3.139 2.748 1.00 0.17 C ATOM 883 C LYS A 71 3.521 4.226 2.042 1.00 0.16 C ATOM 884 O LYS A 71 2.561 3.930 1.334 1.00 0.17 O ATOM 885 CB LYS A 71 3.956 3.121 4.234 1.00 0.29 C ATOM 886 CG LYS A 71 4.641 2.017 5.020 1.00 0.92 C ATOM 887 CD LYS A 71 4.131 1.926 6.457 1.00 1.29 C ATOM 888 CE LYS A 71 4.367 3.213 7.239 1.00 1.99 C ATOM 889 NZ LYS A 71 3.257 4.191 7.074 1.00 2.42 N ATOM 0 H LYS A 71 6.287 3.334 3.440 1.00 0.15 H new ATOM 0 HA LYS A 71 4.067 2.175 2.306 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.217 4.083 4.674 1.00 0.29 H new ATOM 0 HB3 LYS A 71 2.876 3.008 4.333 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.479 1.063 4.518 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.716 2.194 5.029 1.00 0.92 H new ATOM 0 HD2 LYS A 71 3.065 1.700 6.448 1.00 1.29 H new ATOM 0 HD3 LYS A 71 4.628 1.099 6.965 1.00 1.29 H new ATOM 0 HE2 LYS A 71 4.484 2.976 8.296 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.301 3.669 6.909 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 3.630 5.075 6.674 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 2.539 3.797 6.433 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 2.825 4.385 8.000 1.00 2.42 H new ATOM 903 N ASP A 72 3.926 5.481 2.243 1.00 0.19 N ATOM 904 CA ASP A 72 3.264 6.624 1.605 1.00 0.24 C ATOM 905 C ASP A 72 3.115 6.433 0.102 1.00 0.22 C ATOM 906 O ASP A 72 2.018 6.568 -0.434 1.00 0.23 O ATOM 907 CB ASP A 72 4.024 7.927 1.865 1.00 0.32 C ATOM 908 CG ASP A 72 3.737 8.518 3.227 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.563 8.837 3.507 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.679 8.678 4.023 1.00 2.01 O ATOM 0 H ASP A 72 4.711 5.734 2.844 1.00 0.19 H new ATOM 0 HA ASP A 72 2.272 6.686 2.052 1.00 0.24 H new ATOM 0 HB2 ASP A 72 5.094 7.741 1.774 1.00 0.32 H new ATOM 0 HB3 ASP A 72 3.760 8.654 1.097 1.00 0.32 H new ATOM 915 N SER A 73 4.209 6.105 -0.572 1.00 0.21 N ATOM 916 CA SER A 73 4.199 5.982 -2.022 1.00 0.24 C ATOM 917 C SER A 73 3.222 4.901 -2.479 1.00 0.20 C ATOM 918 O SER A 73 2.464 5.101 -3.429 1.00 0.24 O ATOM 919 CB SER A 73 5.610 5.668 -2.524 1.00 0.30 C ATOM 920 OG SER A 73 5.671 5.680 -3.941 1.00 1.14 O ATOM 0 H SER A 73 5.113 5.920 -0.138 1.00 0.21 H new ATOM 0 HA SER A 73 3.868 6.931 -2.445 1.00 0.24 H new ATOM 0 HB2 SER A 73 6.312 6.399 -2.122 1.00 0.30 H new ATOM 0 HB3 SER A 73 5.920 4.691 -2.153 1.00 0.30 H new ATOM 0 HG SER A 73 6.312 6.360 -4.235 1.00 1.14 H new ATOM 926 N ALA A 74 3.236 3.766 -1.796 1.00 0.16 N ATOM 927 CA ALA A 74 2.355 2.665 -2.155 1.00 0.17 C ATOM 928 C ALA A 74 0.899 3.025 -1.859 1.00 0.16 C ATOM 929 O ALA A 74 0.002 2.755 -2.659 1.00 0.17 O ATOM 930 CB ALA A 74 2.762 1.409 -1.407 1.00 0.18 C ATOM 0 H ALA A 74 3.843 3.584 -0.996 1.00 0.16 H new ATOM 0 HA ALA A 74 2.445 2.477 -3.225 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.097 0.590 -1.682 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.787 1.147 -1.667 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.694 1.587 -0.334 1.00 0.18 H new ATOM 936 N ALA A 75 0.689 3.639 -0.697 1.00 0.18 N ATOM 937 CA ALA A 75 -0.626 4.112 -0.281 1.00 0.21 C ATOM 938 C ALA A 75 -1.248 5.029 -1.332 1.00 0.21 C ATOM 939 O ALA A 75 -2.446 4.956 -1.584 1.00 0.24 O ATOM 940 CB ALA A 75 -0.530 4.833 1.055 1.00 0.26 C ATOM 0 H ALA A 75 1.428 3.822 -0.018 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.273 3.242 -0.171 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.519 5.180 1.353 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.143 4.149 1.810 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.141 5.687 0.960 1.00 0.26 H new ATOM 946 N VAL A 76 -0.435 5.872 -1.969 1.00 0.21 N ATOM 947 CA VAL A 76 -0.938 6.803 -2.976 1.00 0.25 C ATOM 948 C VAL A 76 -1.476 6.048 -4.191 1.00 0.20 C ATOM 949 O VAL A 76 -2.487 6.435 -4.777 1.00 0.21 O ATOM 950 CB VAL A 76 0.152 7.800 -3.427 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.360 8.707 -4.535 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.632 8.631 -2.248 1.00 0.83 C ATOM 0 H VAL A 76 0.570 5.929 -1.806 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.748 7.367 -2.514 1.00 0.25 H new ATOM 0 HB VAL A 76 0.991 7.225 -3.818 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.428 9.398 -4.833 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.655 8.103 -5.393 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -1.220 9.271 -4.175 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.400 9.328 -2.583 1.00 0.83 H new ATOM 0 HG22 VAL A 76 -0.207 9.188 -1.830 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.047 7.973 -1.484 1.00 0.83 H new ATOM 962 N LEU A 77 -0.816 4.950 -4.540 1.00 0.19 N ATOM 963 CA LEU A 77 -1.231 4.131 -5.668 1.00 0.21 C ATOM 964 C LEU A 77 -2.479 3.348 -5.286 1.00 0.22 C ATOM 965 O LEU A 77 -3.367 3.100 -6.106 1.00 0.28 O ATOM 966 CB LEU A 77 -0.111 3.165 -6.055 1.00 0.26 C ATOM 967 CG LEU A 77 1.261 3.804 -6.285 1.00 0.32 C ATOM 968 CD1 LEU A 77 2.282 2.743 -6.655 1.00 0.39 C ATOM 969 CD2 LEU A 77 1.187 4.865 -7.369 1.00 0.39 C ATOM 0 H LEU A 77 0.013 4.607 -4.054 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.449 4.774 -6.521 1.00 0.21 H new ATOM 0 HB2 LEU A 77 -0.016 2.414 -5.271 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.405 2.641 -6.964 1.00 0.26 H new ATOM 0 HG LEU A 77 1.574 4.284 -5.358 1.00 0.32 H new ATOM 0 HD11 LEU A 77 3.253 3.212 -6.816 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.360 2.016 -5.847 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.968 2.238 -7.569 1.00 0.39 H new ATOM 0 HD21 LEU A 77 2.173 5.305 -7.515 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.851 4.410 -8.301 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.484 5.642 -7.070 1.00 0.39 H new ATOM 981 N LEU A 78 -2.521 2.971 -4.019 1.00 0.22 N ATOM 982 CA LEU A 78 -3.648 2.266 -3.439 1.00 0.27 C ATOM 983 C LEU A 78 -4.893 3.149 -3.424 1.00 0.27 C ATOM 984 O LEU A 78 -5.994 2.699 -3.739 1.00 0.29 O ATOM 985 CB LEU A 78 -3.278 1.860 -2.022 1.00 0.36 C ATOM 986 CG LEU A 78 -4.383 1.210 -1.210 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.647 -0.202 -1.710 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.004 1.216 0.259 1.00 0.81 C ATOM 0 H LEU A 78 -1.764 3.149 -3.358 1.00 0.22 H new ATOM 0 HA LEU A 78 -3.875 1.384 -4.039 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.435 1.170 -2.070 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -2.935 2.746 -1.489 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.305 1.779 -1.330 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.442 -0.655 -1.118 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.949 -0.167 -2.757 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.739 -0.798 -1.614 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.798 0.749 0.842 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.077 0.660 0.398 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -3.864 2.244 0.594 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.702 4.404 -3.051 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.790 5.372 -3.020 1.00 0.38 C ATOM 1002 C LEU A 79 -6.368 5.594 -4.413 1.00 0.34 C ATOM 1003 O LEU A 79 -7.530 5.970 -4.553 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.310 6.695 -2.420 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.574 6.867 -0.919 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -5.000 5.706 -0.119 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -4.995 8.183 -0.430 1.00 1.08 C ATOM 0 H LEU A 79 -3.798 4.779 -2.763 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.582 4.970 -2.389 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.238 6.788 -2.597 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.793 7.514 -2.953 1.00 0.48 H new ATOM 0 HG LEU A 79 -6.653 6.877 -0.767 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -5.204 5.858 0.941 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -5.462 4.775 -0.447 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -3.923 5.653 -0.277 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -5.190 8.292 0.637 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -3.919 8.195 -0.606 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -5.460 9.008 -0.970 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.562 5.345 -5.438 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.038 5.426 -6.811 1.00 0.33 C ATOM 1021 C GLU A 80 -6.920 4.223 -7.120 1.00 0.27 C ATOM 1022 O GLU A 80 -7.954 4.344 -7.769 1.00 0.30 O ATOM 1023 CB GLU A 80 -4.864 5.472 -7.791 1.00 0.43 C ATOM 1024 CG GLU A 80 -3.919 6.638 -7.562 1.00 0.80 C ATOM 1025 CD GLU A 80 -2.913 6.797 -8.682 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -1.922 6.037 -8.701 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -3.102 7.679 -9.547 1.00 1.86 O ATOM 0 H GLU A 80 -4.580 5.086 -5.344 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.617 6.342 -6.923 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.302 4.541 -7.714 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.254 5.527 -8.808 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -4.497 7.557 -7.464 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.390 6.493 -6.620 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.506 3.070 -6.611 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.238 1.822 -6.783 1.00 0.24 C ATOM 1036 C LEU A 81 -8.602 1.917 -6.128 1.00 0.25 C ATOM 1037 O LEU A 81 -9.629 1.625 -6.731 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.465 0.686 -6.137 1.00 0.31 C ATOM 1039 CG LEU A 81 -7.142 -0.684 -6.191 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -7.193 -1.209 -7.614 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -6.430 -1.667 -5.278 1.00 1.17 C ATOM 0 H LEU A 81 -5.650 2.974 -6.065 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.360 1.635 -7.850 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.491 0.610 -6.621 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.283 0.941 -5.093 1.00 0.31 H new ATOM 0 HG LEU A 81 -8.167 -0.570 -5.839 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -7.679 -2.185 -7.625 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -7.757 -0.516 -8.238 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -6.179 -1.305 -8.003 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -6.926 -2.636 -5.330 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -5.393 -1.773 -5.596 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -6.460 -1.298 -4.253 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.581 2.323 -4.874 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.789 2.474 -4.077 1.00 0.41 C ATOM 1055 C LEU A 82 -10.683 3.584 -4.618 1.00 0.46 C ATOM 1056 O LEU A 82 -11.867 3.646 -4.301 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.421 2.767 -2.627 1.00 0.50 C ATOM 1058 CG LEU A 82 -8.449 1.774 -1.995 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -8.284 2.067 -0.514 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.916 0.342 -2.234 1.00 1.15 C ATOM 0 H LEU A 82 -7.724 2.559 -4.374 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.345 1.538 -4.133 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.984 3.764 -2.573 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.335 2.786 -2.033 1.00 0.50 H new ATOM 0 HG LEU A 82 -7.473 1.886 -2.468 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -7.588 1.351 -0.077 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -7.895 3.077 -0.384 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -9.250 1.984 -0.017 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.211 -0.352 -1.776 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -9.902 0.202 -1.791 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -8.969 0.151 -3.306 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.113 4.454 -5.432 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.881 5.522 -6.067 1.00 0.55 C ATOM 1074 C ASN A 83 -11.446 5.019 -7.394 1.00 0.53 C ATOM 1075 O ASN A 83 -12.178 5.715 -8.098 1.00 0.59 O ATOM 1076 CB ASN A 83 -10.005 6.765 -6.270 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.763 7.937 -6.865 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -10.701 8.189 -8.068 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -11.497 8.658 -6.031 1.00 1.46 N ATOM 0 H ASN A 83 -9.122 4.446 -5.672 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.711 5.808 -5.420 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.581 7.064 -5.311 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.170 6.511 -6.923 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -12.035 9.451 -6.380 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -11.525 8.420 -5.040 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.108 3.780 -7.700 1.00 0.50 N ATOM 1087 CA LYS A 84 -11.616 3.086 -8.867 1.00 0.58 C ATOM 1088 C LYS A 84 -12.612 2.033 -8.414 1.00 1.18 C ATOM 1089 O LYS A 84 -13.315 2.234 -7.421 1.00 1.86 O ATOM 1090 CB LYS A 84 -10.456 2.451 -9.636 1.00 1.18 C ATOM 1091 CG LYS A 84 -9.516 3.477 -10.238 1.00 1.90 C ATOM 1092 CD LYS A 84 -8.248 2.837 -10.780 1.00 2.86 C ATOM 1093 CE LYS A 84 -8.545 1.903 -11.945 1.00 3.49 C ATOM 1094 NZ LYS A 84 -9.178 2.615 -13.088 1.00 4.17 N ATOM 0 H LYS A 84 -10.465 3.222 -7.138 1.00 0.50 H new ATOM 0 HA LYS A 84 -12.119 3.786 -9.534 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -9.895 1.801 -8.965 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -10.855 1.821 -10.431 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -10.026 4.009 -11.041 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -9.254 4.217 -9.482 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -7.557 3.615 -11.104 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -7.752 2.281 -9.985 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -7.619 1.435 -12.279 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -9.203 1.102 -11.608 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -9.147 2.011 -13.934 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -10.168 2.834 -12.855 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -8.663 3.499 -13.275 1.00 4.17 H new ATOM 1108 N THR A 85 -12.646 0.926 -9.144 1.00 1.78 N ATOM 1109 CA THR A 85 -13.481 -0.241 -8.831 1.00 2.69 C ATOM 1110 C THR A 85 -14.863 0.151 -8.288 1.00 3.28 C ATOM 1111 O THR A 85 -15.697 0.627 -9.089 1.00 3.79 O ATOM 1112 CB THR A 85 -12.752 -1.238 -7.874 1.00 3.20 C ATOM 1113 OG1 THR A 85 -13.656 -2.253 -7.418 1.00 3.79 O ATOM 1114 CG2 THR A 85 -12.122 -0.542 -6.672 1.00 2.93 C ATOM 1115 OXT THR A 85 -15.124 -0.027 -7.080 1.00 3.62 O ATOM 0 H THR A 85 -12.086 0.805 -9.988 1.00 1.78 H new ATOM 0 HA THR A 85 -13.651 -0.758 -9.776 1.00 2.69 H new ATOM 0 HB THR A 85 -11.948 -1.692 -8.454 1.00 3.20 H new ATOM 0 HG1 THR A 85 -14.406 -1.835 -6.945 1.00 3.79 H new ATOM 0 HG21 THR A 85 -11.629 -1.281 -6.041 1.00 2.93 H new ATOM 0 HG22 THR A 85 -11.389 0.187 -7.017 1.00 2.93 H new ATOM 0 HG23 THR A 85 -12.897 -0.034 -6.098 1.00 2.93 H new TER 1123 THR A 85