USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 3 SER OG : rot 27:sc= 0.438 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -3:sc= 0.234 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.951 K(o=-0.95,f=-1.9!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.476 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= 0.0308 (180deg=-0.237) USER MOD Single : A 24 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00888 X(o=-0.0089,f=-0.071) USER MOD Single : A 27 SER OG : rot 63:sc= 0.0048 USER MOD Single : A 28 ASN : amide:sc= -3.72! C(o=-3.7!,f=-2.7!) USER MOD Single : A 30 THR OG1 : rot -52:sc= 1.04 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.244 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.141 K(o=-0.14,f=0.37) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 47:sc= 0.331 USER MOD Single : A 58 GLN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -7.96! C(o=-8!,f=-5.9!) USER MOD Single : A 65 THR OG1 : rot 152:sc= -0.557 USER MOD Single : A 67 GLN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.87 K(o=-2.9,f=-1.3) USER MOD Single : A 77 ASN : amide:sc= -4.43 K(o=-4.4,f=-6.6) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 4.169 -2.490 -4.028 1.00 0.00 N ATOM 43 CA SER A 3 5.176 -2.270 -5.059 1.00 0.00 C ATOM 44 C SER A 3 4.547 -1.672 -6.314 1.00 0.00 C ATOM 45 O SER A 3 3.375 -1.294 -6.317 1.00 0.00 O ATOM 46 CB SER A 3 5.879 -3.584 -5.404 1.00 0.00 C ATOM 47 OG SER A 3 6.045 -4.391 -4.251 1.00 0.00 O ATOM 0 HA SER A 3 5.910 -1.565 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.298 -4.126 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.852 -3.374 -5.848 1.00 0.00 H new ATOM 0 HG SER A 3 5.340 -4.184 -3.602 1.00 0.00 H new ATOM 53 N THR A 4 5.336 -1.589 -7.381 1.00 0.00 N ATOM 54 CA THR A 4 4.859 -1.037 -8.643 1.00 0.00 C ATOM 55 C THR A 4 3.582 -1.732 -9.100 1.00 0.00 C ATOM 56 O THR A 4 2.744 -1.134 -9.776 1.00 0.00 O ATOM 57 CB THR A 4 5.923 -1.162 -9.749 1.00 0.00 C ATOM 58 OG1 THR A 4 5.476 -0.497 -10.936 1.00 0.00 O ATOM 59 CG2 THR A 4 6.211 -2.624 -10.059 1.00 0.00 C ATOM 0 H THR A 4 6.308 -1.897 -7.396 1.00 0.00 H new ATOM 0 HA THR A 4 4.651 0.018 -8.467 1.00 0.00 H new ATOM 0 HB THR A 4 6.841 -0.694 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.159 -0.580 -11.634 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.965 -2.688 -10.843 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.578 -3.121 -9.161 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.296 -3.112 -10.395 1.00 0.00 H new ATOM 67 N PHE A 5 3.438 -3.000 -8.727 1.00 0.00 N ATOM 68 CA PHE A 5 2.262 -3.777 -9.099 1.00 0.00 C ATOM 69 C PHE A 5 0.983 -2.986 -8.844 1.00 0.00 C ATOM 70 O PHE A 5 0.016 -3.087 -9.599 1.00 0.00 O ATOM 71 CB PHE A 5 2.226 -5.093 -8.318 1.00 0.00 C ATOM 72 CG PHE A 5 1.815 -6.273 -9.151 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.900 -6.127 -10.181 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.344 -7.530 -8.904 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.520 -7.212 -10.948 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.969 -8.618 -9.668 1.00 0.00 C ATOM 77 CZ PHE A 5 1.056 -8.459 -10.692 1.00 0.00 C ATOM 0 H PHE A 5 4.121 -3.511 -8.168 1.00 0.00 H new ATOM 0 HA PHE A 5 2.325 -3.996 -10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.213 -5.283 -7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.535 -4.991 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.479 -5.154 -10.387 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.058 -7.660 -8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.196 -7.085 -11.747 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.389 -9.592 -9.465 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.762 -9.308 -11.291 1.00 0.00 H new ATOM 87 N ASP A 6 0.986 -2.198 -7.774 1.00 0.00 N ATOM 88 CA ASP A 6 -0.173 -1.388 -7.418 1.00 0.00 C ATOM 89 C ASP A 6 -0.578 -0.480 -8.575 1.00 0.00 C ATOM 90 O ASP A 6 -1.552 -0.750 -9.278 1.00 0.00 O ATOM 91 CB ASP A 6 0.127 -0.548 -6.175 1.00 0.00 C ATOM 92 CG ASP A 6 -0.570 -1.077 -4.937 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.714 -1.562 -5.061 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.029 -1.006 -3.844 1.00 0.00 O ATOM 0 H ASP A 6 1.778 -2.103 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.002 -2.061 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.203 -0.530 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.184 0.481 -6.352 1.00 0.00 H new ATOM 99 N ASP A 7 0.175 0.598 -8.766 1.00 0.00 N ATOM 100 CA ASP A 7 -0.105 1.547 -9.837 1.00 0.00 C ATOM 101 C ASP A 7 -0.234 0.830 -11.178 1.00 0.00 C ATOM 102 O ASP A 7 -0.950 1.285 -12.070 1.00 0.00 O ATOM 103 CB ASP A 7 0.998 2.603 -9.914 1.00 0.00 C ATOM 104 CG ASP A 7 0.955 3.571 -8.748 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.465 3.179 -7.668 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.411 4.721 -8.915 1.00 0.00 O ATOM 0 H ASP A 7 0.984 0.836 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.052 2.038 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.969 2.109 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.901 3.158 -10.847 1.00 0.00 H new ATOM 111 N ILE A 8 0.465 -0.292 -11.312 1.00 0.00 N ATOM 112 CA ILE A 8 0.429 -1.071 -12.544 1.00 0.00 C ATOM 113 C ILE A 8 -0.922 -1.757 -12.721 1.00 0.00 C ATOM 114 O ILE A 8 -1.417 -1.899 -13.839 1.00 0.00 O ATOM 115 CB ILE A 8 1.539 -2.138 -12.568 1.00 0.00 C ATOM 116 CG1 ILE A 8 2.886 -1.495 -12.906 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.202 -3.231 -13.571 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.048 -2.462 -12.852 1.00 0.00 C ATOM 0 H ILE A 8 1.063 -0.682 -10.583 1.00 0.00 H new ATOM 0 HA ILE A 8 0.590 -0.371 -13.364 1.00 0.00 H new ATOM 0 HB ILE A 8 1.610 -2.590 -11.579 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.832 -1.060 -13.904 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.073 -0.676 -12.211 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.996 -3.978 -13.576 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.261 -3.704 -13.291 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.107 -2.795 -14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.970 -1.937 -13.103 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.129 -2.878 -11.848 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.884 -3.268 -13.567 1.00 0.00 H new ATOM 130 N LYS A 9 -1.516 -2.178 -11.609 1.00 0.00 N ATOM 131 CA LYS A 9 -2.812 -2.845 -11.639 1.00 0.00 C ATOM 132 C LYS A 9 -3.928 -1.853 -11.950 1.00 0.00 C ATOM 133 O LYS A 9 -4.989 -2.231 -12.447 1.00 0.00 O ATOM 134 CB LYS A 9 -3.085 -3.534 -10.300 1.00 0.00 C ATOM 135 CG LYS A 9 -3.890 -2.684 -9.332 1.00 0.00 C ATOM 136 CD LYS A 9 -3.612 -3.069 -7.889 1.00 0.00 C ATOM 137 CE LYS A 9 -4.532 -4.187 -7.423 1.00 0.00 C ATOM 138 NZ LYS A 9 -3.945 -4.951 -6.287 1.00 0.00 N ATOM 0 H LYS A 9 -1.120 -2.069 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.788 -3.596 -12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.619 -4.466 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.135 -3.797 -9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.648 -1.632 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.953 -2.800 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.574 -3.386 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.743 -2.198 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.491 -3.766 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.729 -4.865 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.602 -5.704 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.042 -5.374 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.780 -4.309 -5.485 1.00 0.00 H new ATOM 152 N LYS A 10 -3.682 -0.581 -11.653 1.00 0.00 N ATOM 153 CA LYS A 10 -4.665 0.467 -11.903 1.00 0.00 C ATOM 154 C LYS A 10 -4.672 0.867 -13.375 1.00 0.00 C ATOM 155 O LYS A 10 -5.733 1.048 -13.973 1.00 0.00 O ATOM 156 CB LYS A 10 -4.368 1.690 -11.033 1.00 0.00 C ATOM 157 CG LYS A 10 -3.837 1.341 -9.653 1.00 0.00 C ATOM 158 CD LYS A 10 -4.006 2.497 -8.681 1.00 0.00 C ATOM 159 CE LYS A 10 -5.272 2.346 -7.851 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.310 3.312 -6.719 1.00 0.00 N ATOM 0 H LYS A 10 -2.810 -0.251 -11.239 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.650 0.076 -11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.641 2.321 -11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.279 2.278 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.361 0.464 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.782 1.076 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.140 2.548 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.041 3.436 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.144 2.497 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.333 1.329 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.188 3.178 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.492 3.151 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.277 4.283 -7.090 1.00 0.00 H new ATOM 174 N ILE A 11 -3.483 1.001 -13.952 1.00 0.00 N ATOM 175 CA ILE A 11 -3.353 1.377 -15.355 1.00 0.00 C ATOM 176 C ILE A 11 -3.877 0.275 -16.270 1.00 0.00 C ATOM 177 O ILE A 11 -4.520 0.550 -17.283 1.00 0.00 O ATOM 178 CB ILE A 11 -1.889 1.682 -15.723 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.988 0.506 -15.339 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.425 2.958 -15.037 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.478 0.751 -15.619 1.00 0.00 C ATOM 0 H ILE A 11 -2.596 0.855 -13.470 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.950 2.278 -15.497 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.824 1.828 -16.801 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.116 0.292 -14.278 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.310 -0.381 -15.884 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.388 3.160 -15.307 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.052 3.791 -15.355 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.502 2.839 -13.956 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.056 -0.124 -15.322 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.619 0.935 -16.684 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.816 1.619 -15.053 1.00 0.00 H new ATOM 193 N ILE A 12 -3.599 -0.972 -15.904 1.00 0.00 N ATOM 194 CA ILE A 12 -4.045 -2.115 -16.691 1.00 0.00 C ATOM 195 C ILE A 12 -5.535 -2.371 -16.492 1.00 0.00 C ATOM 196 O ILE A 12 -6.224 -2.831 -17.403 1.00 0.00 O ATOM 197 CB ILE A 12 -3.263 -3.390 -16.324 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.604 -3.832 -14.899 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.767 -3.153 -16.467 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.887 -5.092 -14.470 1.00 0.00 C ATOM 0 H ILE A 12 -3.068 -1.216 -15.068 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.857 -1.871 -17.737 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.553 -4.186 -17.010 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.353 -3.027 -14.208 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.680 -3.992 -14.824 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.228 -4.063 -16.204 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.539 -2.881 -17.497 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.461 -2.345 -15.802 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.176 -5.346 -13.450 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.157 -5.910 -15.138 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.810 -4.930 -14.512 1.00 0.00 H new ATOM 212 N SER A 13 -6.028 -2.068 -15.295 1.00 0.00 N ATOM 213 CA SER A 13 -7.436 -2.268 -14.975 1.00 0.00 C ATOM 214 C SER A 13 -8.313 -1.290 -15.752 1.00 0.00 C ATOM 215 O SER A 13 -9.448 -1.606 -16.111 1.00 0.00 O ATOM 216 CB SER A 13 -7.669 -2.096 -13.473 1.00 0.00 C ATOM 217 OG SER A 13 -7.219 -0.828 -13.029 1.00 0.00 O ATOM 0 H SER A 13 -5.473 -1.683 -14.531 1.00 0.00 H new ATOM 0 HA SER A 13 -7.708 -3.283 -15.264 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.731 -2.207 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.146 -2.882 -12.928 1.00 0.00 H new ATOM 0 HG SER A 13 -6.814 -0.344 -13.779 1.00 0.00 H new ATOM 223 N LYS A 14 -7.779 -0.101 -16.009 1.00 0.00 N ATOM 224 CA LYS A 14 -8.510 0.924 -16.744 1.00 0.00 C ATOM 225 C LYS A 14 -8.187 0.860 -18.233 1.00 0.00 C ATOM 226 O LYS A 14 -8.972 1.311 -19.067 1.00 0.00 O ATOM 227 CB LYS A 14 -8.171 2.313 -16.197 1.00 0.00 C ATOM 228 CG LYS A 14 -6.828 2.841 -16.669 1.00 0.00 C ATOM 229 CD LYS A 14 -6.990 3.851 -17.794 1.00 0.00 C ATOM 230 CE LYS A 14 -6.720 5.268 -17.313 1.00 0.00 C ATOM 231 NZ LYS A 14 -7.932 5.889 -16.708 1.00 0.00 N ATOM 0 H LYS A 14 -6.841 0.177 -15.719 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.576 0.739 -16.613 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.952 3.012 -16.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.175 2.276 -15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.305 3.306 -15.834 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.209 2.011 -17.010 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.307 3.605 -18.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.001 3.789 -18.198 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.914 5.255 -16.579 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.379 5.877 -18.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.707 6.854 -16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.694 5.925 -17.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.243 5.322 -15.893 1.00 0.00 H new ATOM 245 N GLN A 15 -7.028 0.296 -18.559 1.00 0.00 N ATOM 246 CA GLN A 15 -6.604 0.173 -19.948 1.00 0.00 C ATOM 247 C GLN A 15 -7.293 -1.007 -20.626 1.00 0.00 C ATOM 248 O GLN A 15 -7.942 -0.849 -21.661 1.00 0.00 O ATOM 249 CB GLN A 15 -5.085 0.004 -20.026 1.00 0.00 C ATOM 250 CG GLN A 15 -4.552 -0.054 -21.449 1.00 0.00 C ATOM 251 CD GLN A 15 -4.933 1.164 -22.266 1.00 0.00 C ATOM 252 OE1 GLN A 15 -4.942 2.287 -21.760 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.252 0.949 -23.537 1.00 0.00 N ATOM 0 H GLN A 15 -6.367 -0.082 -17.881 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.889 1.086 -20.470 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.608 0.832 -19.502 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.802 -0.910 -19.503 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.466 -0.144 -21.423 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.934 -0.949 -21.939 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.231 0.002 -23.915 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.518 1.731 -24.135 1.00 0.00 H new ATOM 262 N LEU A 16 -7.149 -2.188 -20.036 1.00 0.00 N ATOM 263 CA LEU A 16 -7.759 -3.396 -20.583 1.00 0.00 C ATOM 264 C LEU A 16 -8.532 -4.151 -19.507 1.00 0.00 C ATOM 265 O LEU A 16 -9.760 -4.223 -19.546 1.00 0.00 O ATOM 266 CB LEU A 16 -6.686 -4.303 -21.189 1.00 0.00 C ATOM 267 CG LEU A 16 -5.520 -3.595 -21.879 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.411 -3.296 -20.882 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.991 -4.437 -23.031 1.00 0.00 C ATOM 0 H LEU A 16 -6.616 -2.336 -19.179 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.458 -3.099 -21.365 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.284 -4.935 -20.397 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.163 -4.963 -21.913 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.882 -2.649 -22.283 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.590 -2.792 -21.392 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.797 -2.653 -20.091 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.051 -4.229 -20.448 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.161 -3.917 -23.510 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.646 -5.398 -22.650 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.786 -4.599 -23.758 1.00 0.00 H new ATOM 281 N SER A 17 -7.804 -4.711 -18.546 1.00 0.00 N ATOM 282 CA SER A 17 -8.421 -5.463 -17.460 1.00 0.00 C ATOM 283 C SER A 17 -7.377 -5.886 -16.430 1.00 0.00 C ATOM 284 O SER A 17 -6.204 -5.529 -16.536 1.00 0.00 O ATOM 285 CB SER A 17 -9.142 -6.696 -18.009 1.00 0.00 C ATOM 286 OG SER A 17 -8.794 -6.929 -19.362 1.00 0.00 O ATOM 0 H SER A 17 -6.787 -4.658 -18.498 1.00 0.00 H new ATOM 0 HA SER A 17 -9.148 -4.815 -16.970 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.885 -7.569 -17.409 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.220 -6.558 -17.926 1.00 0.00 H new ATOM 0 HG SER A 17 -9.266 -7.723 -19.689 1.00 0.00 H new ATOM 292 N VAL A 18 -7.814 -6.650 -15.434 1.00 0.00 N ATOM 293 CA VAL A 18 -6.918 -7.124 -14.386 1.00 0.00 C ATOM 294 C VAL A 18 -6.164 -8.372 -14.830 1.00 0.00 C ATOM 295 O VAL A 18 -6.718 -9.470 -14.849 1.00 0.00 O ATOM 296 CB VAL A 18 -7.689 -7.438 -13.089 1.00 0.00 C ATOM 297 CG1 VAL A 18 -8.144 -6.153 -12.414 1.00 0.00 C ATOM 298 CG2 VAL A 18 -8.874 -8.346 -13.381 1.00 0.00 C ATOM 0 H VAL A 18 -8.782 -6.954 -15.331 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.205 -6.322 -14.192 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.020 -7.961 -12.406 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.687 -6.395 -11.500 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.274 -5.543 -12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.797 -5.599 -13.088 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.407 -8.558 -12.454 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.547 -7.852 -14.082 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.518 -9.280 -13.816 1.00 0.00 H new ATOM 308 N GLU A 19 -4.895 -8.195 -15.187 1.00 0.00 N ATOM 309 CA GLU A 19 -4.065 -9.307 -15.631 1.00 0.00 C ATOM 310 C GLU A 19 -2.840 -9.465 -14.735 1.00 0.00 C ATOM 311 O GLU A 19 -1.729 -9.682 -15.217 1.00 0.00 O ATOM 312 CB GLU A 19 -3.625 -9.096 -17.082 1.00 0.00 C ATOM 313 CG GLU A 19 -2.709 -7.899 -17.272 1.00 0.00 C ATOM 314 CD GLU A 19 -3.129 -7.022 -18.435 1.00 0.00 C ATOM 315 OE1 GLU A 19 -3.792 -7.540 -19.358 1.00 0.00 O ATOM 316 OE2 GLU A 19 -2.795 -5.819 -18.423 1.00 0.00 O ATOM 0 H GLU A 19 -4.421 -7.292 -15.177 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.660 -10.218 -15.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.114 -9.993 -17.432 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.509 -8.969 -17.706 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.700 -7.305 -16.358 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.690 -8.249 -17.435 1.00 0.00 H new ATOM 323 N GLU A 20 -3.053 -9.353 -13.427 1.00 0.00 N ATOM 324 CA GLU A 20 -1.967 -9.481 -12.463 1.00 0.00 C ATOM 325 C GLU A 20 -1.475 -10.924 -12.387 1.00 0.00 C ATOM 326 O GLU A 20 -0.316 -11.179 -12.060 1.00 0.00 O ATOM 327 CB GLU A 20 -2.424 -9.013 -11.080 1.00 0.00 C ATOM 328 CG GLU A 20 -3.685 -9.705 -10.589 1.00 0.00 C ATOM 329 CD GLU A 20 -3.868 -9.589 -9.088 1.00 0.00 C ATOM 330 OE1 GLU A 20 -3.129 -8.803 -8.459 1.00 0.00 O ATOM 331 OE2 GLU A 20 -4.750 -10.284 -8.543 1.00 0.00 O ATOM 0 H GLU A 20 -3.967 -9.174 -13.012 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.143 -8.851 -12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.622 -9.187 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.598 -7.937 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.551 -9.273 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.648 -10.758 -10.866 1.00 0.00 H new ATOM 338 N ASP A 21 -2.365 -11.863 -12.689 1.00 0.00 N ATOM 339 CA ASP A 21 -2.022 -13.280 -12.656 1.00 0.00 C ATOM 340 C ASP A 21 -1.537 -13.754 -14.022 1.00 0.00 C ATOM 341 O ASP A 21 -2.005 -14.766 -14.543 1.00 0.00 O ATOM 342 CB ASP A 21 -3.230 -14.108 -12.215 1.00 0.00 C ATOM 343 CG ASP A 21 -3.425 -14.092 -10.711 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.442 -14.341 -9.982 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.560 -13.829 -10.263 1.00 0.00 O ATOM 0 H ASP A 21 -3.329 -11.669 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.215 -13.416 -11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.127 -13.722 -12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.104 -15.137 -12.551 1.00 0.00 H new ATOM 350 N LYS A 22 -0.595 -13.015 -14.599 1.00 0.00 N ATOM 351 CA LYS A 22 -0.045 -13.358 -15.905 1.00 0.00 C ATOM 352 C LYS A 22 0.986 -12.326 -16.350 1.00 0.00 C ATOM 353 O LYS A 22 1.959 -12.658 -17.026 1.00 0.00 O ATOM 354 CB LYS A 22 -1.165 -13.458 -16.943 1.00 0.00 C ATOM 355 CG LYS A 22 -2.236 -12.393 -16.785 1.00 0.00 C ATOM 356 CD LYS A 22 -3.284 -12.490 -17.881 1.00 0.00 C ATOM 357 CE LYS A 22 -3.971 -13.847 -17.877 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.535 -14.179 -16.539 1.00 0.00 N ATOM 0 H LYS A 22 -0.196 -12.174 -14.182 1.00 0.00 H new ATOM 0 HA LYS A 22 0.450 -14.325 -15.820 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.733 -13.382 -17.941 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.629 -14.442 -16.871 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.715 -12.499 -15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.775 -11.406 -16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.027 -11.704 -17.746 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.815 -12.321 -18.850 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.769 -13.852 -18.619 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.257 -14.616 -18.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.177 -14.993 -16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.762 -14.415 -15.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.061 -13.361 -16.171 1.00 0.00 H new ATOM 372 N ILE A 23 0.766 -11.073 -15.965 1.00 0.00 N ATOM 373 CA ILE A 23 1.677 -9.993 -16.322 1.00 0.00 C ATOM 374 C ILE A 23 2.964 -10.068 -15.508 1.00 0.00 C ATOM 375 O ILE A 23 4.037 -9.706 -15.991 1.00 0.00 O ATOM 376 CB ILE A 23 1.026 -8.614 -16.109 1.00 0.00 C ATOM 377 CG1 ILE A 23 1.913 -7.512 -16.692 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.775 -8.370 -14.628 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.643 -7.229 -18.153 1.00 0.00 C ATOM 0 H ILE A 23 -0.036 -10.781 -15.406 1.00 0.00 H new ATOM 0 HA ILE A 23 1.912 -10.114 -17.379 1.00 0.00 H new ATOM 0 HB ILE A 23 0.068 -8.597 -16.628 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.765 -6.596 -16.119 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.958 -7.797 -16.573 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.315 -7.391 -14.493 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.109 -9.141 -14.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.721 -8.403 -14.088 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.308 -6.437 -18.499 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.819 -8.132 -18.737 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.607 -6.913 -18.277 1.00 0.00 H new ATOM 391 N GLN A 24 2.849 -10.541 -14.271 1.00 0.00 N ATOM 392 CA GLN A 24 4.004 -10.664 -13.391 1.00 0.00 C ATOM 393 C GLN A 24 4.722 -11.991 -13.616 1.00 0.00 C ATOM 394 O GLN A 24 4.977 -12.737 -12.672 1.00 0.00 O ATOM 395 CB GLN A 24 3.572 -10.546 -11.928 1.00 0.00 C ATOM 396 CG GLN A 24 2.494 -11.541 -11.530 1.00 0.00 C ATOM 397 CD GLN A 24 3.032 -12.678 -10.684 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.698 -12.453 -9.673 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.746 -13.908 -11.093 1.00 0.00 N ATOM 0 H GLN A 24 1.968 -10.845 -13.856 1.00 0.00 H new ATOM 0 HA GLN A 24 4.695 -9.854 -13.625 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.442 -10.691 -11.288 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.207 -9.535 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.711 -11.021 -10.977 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.032 -11.949 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.191 -14.049 -11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.081 -14.713 -10.563 1.00 0.00 H new ATOM 408 N MET A 25 5.043 -12.278 -14.873 1.00 0.00 N ATOM 409 CA MET A 25 5.732 -13.515 -15.222 1.00 0.00 C ATOM 410 C MET A 25 7.236 -13.380 -15.006 1.00 0.00 C ATOM 411 O MET A 25 7.995 -14.314 -15.258 1.00 0.00 O ATOM 412 CB MET A 25 5.446 -13.891 -16.677 1.00 0.00 C ATOM 413 CG MET A 25 4.631 -15.165 -16.827 1.00 0.00 C ATOM 414 SD MET A 25 5.614 -16.550 -17.434 1.00 0.00 S ATOM 415 CE MET A 25 4.549 -17.929 -17.018 1.00 0.00 C ATOM 0 H MET A 25 4.837 -11.671 -15.667 1.00 0.00 H new ATOM 0 HA MET A 25 5.359 -14.305 -14.570 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.914 -13.070 -17.158 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.392 -14.010 -17.205 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.195 -15.429 -15.863 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.803 -14.984 -17.513 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.021 -18.860 -17.332 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.385 -17.950 -15.941 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.592 -17.817 -17.528 1.00 0.00 H new ATOM 425 N ASN A 26 7.659 -12.210 -14.537 1.00 0.00 N ATOM 426 CA ASN A 26 9.073 -11.953 -14.288 1.00 0.00 C ATOM 427 C ASN A 26 9.874 -12.014 -15.585 1.00 0.00 C ATOM 428 O ASN A 26 11.094 -12.174 -15.566 1.00 0.00 O ATOM 429 CB ASN A 26 9.628 -12.966 -13.285 1.00 0.00 C ATOM 430 CG ASN A 26 10.818 -12.426 -12.516 1.00 0.00 C ATOM 431 OD1 ASN A 26 11.969 -12.675 -12.877 1.00 0.00 O ATOM 432 ND2 ASN A 26 10.546 -11.683 -11.450 1.00 0.00 N ATOM 0 H ASN A 26 7.043 -11.426 -14.322 1.00 0.00 H new ATOM 0 HA ASN A 26 9.166 -10.950 -13.871 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.842 -13.246 -12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.922 -13.873 -13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.306 -11.293 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.577 -11.503 -11.188 1.00 0.00 H new ATOM 439 N SER A 27 9.178 -11.884 -16.710 1.00 0.00 N ATOM 440 CA SER A 27 9.823 -11.927 -18.017 1.00 0.00 C ATOM 441 C SER A 27 9.606 -10.621 -18.774 1.00 0.00 C ATOM 442 O SER A 27 10.533 -9.832 -18.951 1.00 0.00 O ATOM 443 CB SER A 27 9.284 -13.101 -18.837 1.00 0.00 C ATOM 444 OG SER A 27 9.568 -14.337 -18.207 1.00 0.00 O ATOM 0 H SER A 27 8.168 -11.748 -16.743 1.00 0.00 H new ATOM 0 HA SER A 27 10.893 -12.062 -17.862 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.207 -12.994 -18.966 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.727 -13.087 -19.833 1.00 0.00 H new ATOM 0 HG SER A 27 9.111 -14.375 -17.341 1.00 0.00 H new ATOM 450 N ASN A 28 8.373 -10.399 -19.217 1.00 0.00 N ATOM 451 CA ASN A 28 8.032 -9.188 -19.956 1.00 0.00 C ATOM 452 C ASN A 28 6.570 -8.811 -19.737 1.00 0.00 C ATOM 453 O ASN A 28 5.777 -9.615 -19.247 1.00 0.00 O ATOM 454 CB ASN A 28 8.302 -9.384 -21.449 1.00 0.00 C ATOM 455 CG ASN A 28 9.409 -10.387 -21.710 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.567 -10.015 -21.898 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.056 -11.667 -21.723 1.00 0.00 N ATOM 0 H ASN A 28 7.593 -11.041 -19.077 1.00 0.00 H new ATOM 0 HA ASN A 28 8.658 -8.377 -19.584 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.388 -9.720 -21.940 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.570 -8.427 -21.896 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.757 -12.388 -21.894 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.084 -11.930 -21.562 1.00 0.00 H new ATOM 464 N PHE A 29 6.221 -7.582 -20.103 1.00 0.00 N ATOM 465 CA PHE A 29 4.855 -7.097 -19.946 1.00 0.00 C ATOM 466 C PHE A 29 4.064 -7.272 -21.239 1.00 0.00 C ATOM 467 O PHE A 29 2.904 -7.686 -21.220 1.00 0.00 O ATOM 468 CB PHE A 29 4.859 -5.623 -19.532 1.00 0.00 C ATOM 469 CG PHE A 29 4.528 -5.406 -18.084 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.302 -5.981 -17.089 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.442 -4.627 -17.717 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.999 -5.784 -15.755 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.134 -4.426 -16.384 1.00 0.00 C ATOM 474 CZ PHE A 29 3.914 -5.004 -15.402 1.00 0.00 C ATOM 0 H PHE A 29 6.865 -6.904 -20.510 1.00 0.00 H new ATOM 0 HA PHE A 29 4.374 -7.685 -19.164 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.841 -5.198 -19.739 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.141 -5.080 -20.146 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.152 -6.590 -17.359 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.829 -4.172 -18.481 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.609 -6.239 -14.989 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.284 -3.818 -16.111 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.677 -4.847 -14.360 1.00 0.00 H new ATOM 484 N THR A 30 4.699 -6.952 -22.362 1.00 0.00 N ATOM 485 CA THR A 30 4.056 -7.071 -23.664 1.00 0.00 C ATOM 486 C THR A 30 4.754 -8.114 -24.529 1.00 0.00 C ATOM 487 O THR A 30 4.446 -8.263 -25.712 1.00 0.00 O ATOM 488 CB THR A 30 4.046 -5.724 -24.412 1.00 0.00 C ATOM 489 OG1 THR A 30 3.445 -5.884 -25.702 1.00 0.00 O ATOM 490 CG2 THR A 30 5.458 -5.182 -24.568 1.00 0.00 C ATOM 0 H THR A 30 5.659 -6.608 -22.396 1.00 0.00 H new ATOM 0 HA THR A 30 3.028 -7.384 -23.481 1.00 0.00 H new ATOM 0 HB THR A 30 3.463 -5.013 -23.827 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.877 -6.626 -26.174 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.426 -4.231 -25.099 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.902 -5.033 -23.583 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.060 -5.893 -25.134 1.00 0.00 H new ATOM 498 N LYS A 31 5.696 -8.836 -23.932 1.00 0.00 N ATOM 499 CA LYS A 31 6.438 -9.868 -24.647 1.00 0.00 C ATOM 500 C LYS A 31 6.241 -11.232 -23.993 1.00 0.00 C ATOM 501 O LYS A 31 6.606 -12.261 -24.560 1.00 0.00 O ATOM 502 CB LYS A 31 7.928 -9.520 -24.685 1.00 0.00 C ATOM 503 CG LYS A 31 8.216 -8.051 -24.429 1.00 0.00 C ATOM 504 CD LYS A 31 9.710 -7.777 -24.370 1.00 0.00 C ATOM 505 CE LYS A 31 10.133 -6.763 -25.422 1.00 0.00 C ATOM 506 NZ LYS A 31 11.551 -6.345 -25.251 1.00 0.00 N ATOM 0 H LYS A 31 5.964 -8.726 -22.954 1.00 0.00 H new ATOM 0 HA LYS A 31 6.055 -9.915 -25.667 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.452 -10.119 -23.940 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.332 -9.797 -25.659 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.766 -7.448 -25.218 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.752 -7.747 -23.491 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.974 -7.407 -23.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.258 -8.708 -24.519 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.998 -7.192 -26.415 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.487 -5.887 -25.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.800 -5.654 -25.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.675 -5.912 -24.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.170 -7.176 -25.333 1.00 0.00 H new ATOM 520 N ASP A 32 5.660 -11.231 -22.798 1.00 0.00 N ATOM 521 CA ASP A 32 5.411 -12.469 -22.068 1.00 0.00 C ATOM 522 C ASP A 32 4.028 -13.024 -22.394 1.00 0.00 C ATOM 523 O ASP A 32 3.895 -13.974 -23.167 1.00 0.00 O ATOM 524 CB ASP A 32 5.537 -12.232 -20.562 1.00 0.00 C ATOM 525 CG ASP A 32 5.205 -13.470 -19.752 1.00 0.00 C ATOM 526 OD1 ASP A 32 6.124 -14.276 -19.498 1.00 0.00 O ATOM 527 OD2 ASP A 32 4.026 -13.633 -19.373 1.00 0.00 O ATOM 0 H ASP A 32 5.353 -10.387 -22.314 1.00 0.00 H new ATOM 0 HA ASP A 32 6.158 -13.200 -22.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.553 -11.912 -20.331 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.872 -11.420 -20.268 1.00 0.00 H new ATOM 532 N LEU A 33 3.001 -12.425 -21.801 1.00 0.00 N ATOM 533 CA LEU A 33 1.627 -12.860 -22.027 1.00 0.00 C ATOM 534 C LEU A 33 1.149 -12.452 -23.417 1.00 0.00 C ATOM 535 O LEU A 33 0.045 -12.800 -23.832 1.00 0.00 O ATOM 536 CB LEU A 33 0.702 -12.268 -20.963 1.00 0.00 C ATOM 537 CG LEU A 33 0.145 -10.875 -21.258 1.00 0.00 C ATOM 538 CD1 LEU A 33 1.240 -9.964 -21.792 1.00 0.00 C ATOM 539 CD2 LEU A 33 -1.010 -10.960 -22.245 1.00 0.00 C ATOM 0 H LEU A 33 3.094 -11.637 -21.160 1.00 0.00 H new ATOM 0 HA LEU A 33 1.600 -13.947 -21.958 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.136 -12.950 -20.819 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.246 -12.228 -20.019 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.230 -10.450 -20.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.825 -8.977 -21.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.035 -9.877 -21.051 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.646 -10.384 -22.712 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.394 -9.959 -22.443 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.661 -11.406 -23.176 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.804 -11.576 -21.824 1.00 0.00 H new ATOM 551 N GLY A 34 1.991 -11.712 -24.133 1.00 0.00 N ATOM 552 CA GLY A 34 1.637 -11.271 -25.470 1.00 0.00 C ATOM 553 C GLY A 34 0.302 -10.554 -25.509 1.00 0.00 C ATOM 554 O GLY A 34 -0.680 -11.085 -26.027 1.00 0.00 O ATOM 0 H GLY A 34 2.911 -11.410 -23.811 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.414 -10.607 -25.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.603 -12.133 -26.136 1.00 0.00 H new ATOM 558 N ALA A 35 0.264 -9.345 -24.959 1.00 0.00 N ATOM 559 CA ALA A 35 -0.960 -8.555 -24.934 1.00 0.00 C ATOM 560 C ALA A 35 -1.056 -7.653 -26.159 1.00 0.00 C ATOM 561 O ALA A 35 -1.732 -7.984 -27.134 1.00 0.00 O ATOM 562 CB ALA A 35 -1.028 -7.726 -23.659 1.00 0.00 C ATOM 0 H ALA A 35 1.068 -8.891 -24.525 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.806 -9.242 -24.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.948 -7.141 -23.654 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.015 -8.388 -22.793 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.171 -7.054 -23.615 1.00 0.00 H new ATOM 568 N ASP A 36 -0.378 -6.512 -26.103 1.00 0.00 N ATOM 569 CA ASP A 36 -0.387 -5.562 -27.209 1.00 0.00 C ATOM 570 C ASP A 36 0.442 -4.326 -26.871 1.00 0.00 C ATOM 571 O ASP A 36 0.394 -3.778 -25.771 1.00 0.00 O ATOM 572 CB ASP A 36 -1.821 -5.152 -27.546 1.00 0.00 C ATOM 573 CG ASP A 36 -1.879 -3.958 -28.478 1.00 0.00 C ATOM 574 OD1 ASP A 36 -1.678 -2.822 -28.000 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.123 -4.160 -29.686 1.00 0.00 O ATOM 0 H ASP A 36 0.185 -6.223 -25.303 1.00 0.00 H new ATOM 0 HA ASP A 36 0.057 -6.049 -28.077 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.338 -5.994 -28.007 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.354 -4.916 -26.625 1.00 0.00 H new ATOM 580 N SER A 37 1.239 -3.861 -27.848 1.00 0.00 N ATOM 581 CA SER A 37 2.139 -2.689 -27.757 1.00 0.00 C ATOM 582 C SER A 37 1.402 -1.406 -27.338 1.00 0.00 C ATOM 583 O SER A 37 1.732 -0.766 -26.338 1.00 0.00 O ATOM 584 CB SER A 37 2.816 -2.535 -29.128 1.00 0.00 C ATOM 585 OG SER A 37 1.865 -2.188 -30.136 1.00 0.00 O ATOM 0 H SER A 37 1.278 -4.308 -28.764 1.00 0.00 H new ATOM 0 HA SER A 37 2.881 -2.853 -26.975 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.587 -1.767 -29.072 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.313 -3.467 -29.398 1.00 0.00 H new ATOM 0 HG SER A 37 2.322 -2.094 -30.998 1.00 0.00 H new ATOM 590 N LEU A 38 0.397 -1.044 -28.128 1.00 0.00 N ATOM 591 CA LEU A 38 -0.395 0.151 -27.860 1.00 0.00 C ATOM 592 C LEU A 38 -0.913 0.151 -26.425 1.00 0.00 C ATOM 593 O LEU A 38 -0.884 1.177 -25.744 1.00 0.00 O ATOM 594 CB LEU A 38 -1.569 0.239 -28.837 1.00 0.00 C ATOM 595 CG LEU A 38 -1.243 -0.046 -30.304 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.586 -1.485 -30.656 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.989 0.920 -31.213 1.00 0.00 C ATOM 0 H LEU A 38 0.111 -1.561 -28.959 1.00 0.00 H new ATOM 0 HA LEU A 38 0.248 1.020 -27.995 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.338 -0.462 -28.514 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.999 1.238 -28.768 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.173 0.098 -30.454 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.348 -1.670 -31.703 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.007 -2.161 -30.027 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.650 -1.657 -30.490 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.745 0.703 -32.253 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.062 0.808 -31.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.694 1.943 -30.977 1.00 0.00 H new ATOM 609 N ASP A 39 -1.383 -1.005 -25.971 1.00 0.00 N ATOM 610 CA ASP A 39 -1.904 -1.140 -24.616 1.00 0.00 C ATOM 611 C ASP A 39 -0.789 -0.983 -23.587 1.00 0.00 C ATOM 612 O ASP A 39 -0.868 -0.140 -22.693 1.00 0.00 O ATOM 613 CB ASP A 39 -2.588 -2.496 -24.442 1.00 0.00 C ATOM 614 CG ASP A 39 -3.859 -2.613 -25.261 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.591 -1.607 -25.367 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.121 -3.711 -25.796 1.00 0.00 O ATOM 0 H ASP A 39 -1.414 -1.863 -26.522 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.637 -0.349 -24.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.898 -3.288 -24.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.823 -2.649 -23.389 1.00 0.00 H new ATOM 621 N LEU A 40 0.250 -1.801 -23.719 1.00 0.00 N ATOM 622 CA LEU A 40 1.382 -1.754 -22.801 1.00 0.00 C ATOM 623 C LEU A 40 1.919 -0.332 -22.669 1.00 0.00 C ATOM 624 O LEU A 40 2.150 0.155 -21.562 1.00 0.00 O ATOM 625 CB LEU A 40 2.494 -2.688 -23.282 1.00 0.00 C ATOM 626 CG LEU A 40 3.735 -2.770 -22.392 1.00 0.00 C ATOM 627 CD1 LEU A 40 4.703 -1.644 -22.722 1.00 0.00 C ATOM 628 CD2 LEU A 40 3.341 -2.724 -20.923 1.00 0.00 C ATOM 0 H LEU A 40 0.331 -2.505 -24.453 1.00 0.00 H new ATOM 0 HA LEU A 40 1.036 -2.084 -21.821 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.079 -3.691 -23.386 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.805 -2.368 -24.276 1.00 0.00 H new ATOM 0 HG LEU A 40 4.235 -3.719 -22.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.580 -1.718 -22.079 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.010 -1.722 -23.765 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.214 -0.684 -22.559 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.236 -2.783 -20.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.818 -1.790 -20.716 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.686 -3.565 -20.695 1.00 0.00 H new ATOM 640 N VAL A 41 2.112 0.329 -23.806 1.00 0.00 N ATOM 641 CA VAL A 41 2.618 1.697 -23.818 1.00 0.00 C ATOM 642 C VAL A 41 1.582 2.670 -23.266 1.00 0.00 C ATOM 643 O VAL A 41 1.927 3.740 -22.766 1.00 0.00 O ATOM 644 CB VAL A 41 3.014 2.136 -25.240 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.666 3.510 -25.212 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.940 1.110 -25.875 1.00 0.00 C ATOM 0 H VAL A 41 1.926 -0.060 -24.730 1.00 0.00 H new ATOM 0 HA VAL A 41 3.503 1.714 -23.182 1.00 0.00 H new ATOM 0 HB VAL A 41 2.111 2.201 -25.847 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.939 3.804 -26.225 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.966 4.237 -24.800 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.561 3.475 -24.591 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.210 1.436 -26.879 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.842 1.011 -25.271 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.433 0.147 -25.930 1.00 0.00 H new ATOM 656 N GLU A 42 0.312 2.291 -23.361 1.00 0.00 N ATOM 657 CA GLU A 42 -0.774 3.132 -22.872 1.00 0.00 C ATOM 658 C GLU A 42 -0.828 3.118 -21.347 1.00 0.00 C ATOM 659 O GLU A 42 -0.635 4.147 -20.698 1.00 0.00 O ATOM 660 CB GLU A 42 -2.112 2.659 -23.445 1.00 0.00 C ATOM 661 CG GLU A 42 -2.535 3.406 -24.699 1.00 0.00 C ATOM 662 CD GLU A 42 -3.321 4.666 -24.390 1.00 0.00 C ATOM 663 OE1 GLU A 42 -4.066 4.670 -23.389 1.00 0.00 O ATOM 664 OE2 GLU A 42 -3.190 5.647 -25.152 1.00 0.00 O ATOM 0 H GLU A 42 0.010 1.408 -23.772 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.586 4.154 -23.202 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.045 1.595 -23.671 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.885 2.775 -22.685 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.649 3.668 -25.278 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.140 2.748 -25.323 1.00 0.00 H new ATOM 671 N LEU A 43 -1.093 1.945 -20.781 1.00 0.00 N ATOM 672 CA LEU A 43 -1.173 1.796 -19.332 1.00 0.00 C ATOM 673 C LEU A 43 0.056 2.393 -18.654 1.00 0.00 C ATOM 674 O LEU A 43 -0.046 3.006 -17.591 1.00 0.00 O ATOM 675 CB LEU A 43 -1.309 0.319 -18.959 1.00 0.00 C ATOM 676 CG LEU A 43 -0.206 -0.607 -19.473 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.778 -0.934 -18.361 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.806 -1.882 -20.049 1.00 0.00 C ATOM 0 H LEU A 43 -1.256 1.084 -21.303 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.054 2.335 -18.984 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.344 0.241 -17.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.265 -0.044 -19.336 1.00 0.00 H new ATOM 0 HG LEU A 43 0.334 -0.092 -20.267 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.556 -1.594 -18.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.232 -0.013 -17.995 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.253 -1.430 -17.544 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.007 -2.529 -20.410 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.371 -2.401 -19.274 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.470 -1.630 -20.876 1.00 0.00 H new ATOM 690 N ILE A 44 1.215 2.213 -19.278 1.00 0.00 N ATOM 691 CA ILE A 44 2.463 2.737 -18.736 1.00 0.00 C ATOM 692 C ILE A 44 2.470 4.261 -18.748 1.00 0.00 C ATOM 693 O ILE A 44 2.834 4.898 -17.760 1.00 0.00 O ATOM 694 CB ILE A 44 3.680 2.223 -19.528 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.933 0.746 -19.215 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.911 3.056 -19.206 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.078 0.150 -20.002 1.00 0.00 C ATOM 0 H ILE A 44 1.316 1.709 -20.159 1.00 0.00 H new ATOM 0 HA ILE A 44 2.534 2.384 -17.707 1.00 0.00 H new ATOM 0 HB ILE A 44 3.469 2.318 -20.593 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.140 0.639 -18.150 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.026 0.178 -19.422 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.763 2.681 -19.773 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.727 4.096 -19.474 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.127 2.989 -18.140 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.200 -0.898 -19.729 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.865 0.225 -21.068 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.996 0.693 -19.776 1.00 0.00 H new ATOM 709 N MET A 45 2.062 4.841 -19.873 1.00 0.00 N ATOM 710 CA MET A 45 2.019 6.292 -20.012 1.00 0.00 C ATOM 711 C MET A 45 1.225 6.924 -18.873 1.00 0.00 C ATOM 712 O MET A 45 1.472 8.067 -18.492 1.00 0.00 O ATOM 713 CB MET A 45 1.399 6.678 -21.356 1.00 0.00 C ATOM 714 CG MET A 45 -0.098 6.934 -21.284 1.00 0.00 C ATOM 715 SD MET A 45 -0.492 8.670 -20.999 1.00 0.00 S ATOM 716 CE MET A 45 -1.369 9.070 -22.509 1.00 0.00 C ATOM 0 H MET A 45 1.757 4.329 -20.700 1.00 0.00 H new ATOM 0 HA MET A 45 3.042 6.667 -19.970 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.895 7.573 -21.732 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.589 5.882 -22.076 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.564 6.608 -22.214 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.528 6.332 -20.484 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.679 10.115 -22.484 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.714 8.907 -23.365 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.249 8.433 -22.599 1.00 0.00 H new ATOM 726 N ALA A 46 0.272 6.172 -18.334 1.00 0.00 N ATOM 727 CA ALA A 46 -0.556 6.658 -17.237 1.00 0.00 C ATOM 728 C ALA A 46 0.164 6.516 -15.900 1.00 0.00 C ATOM 729 O ALA A 46 0.068 7.388 -15.036 1.00 0.00 O ATOM 730 CB ALA A 46 -1.882 5.912 -17.206 1.00 0.00 C ATOM 0 H ALA A 46 0.054 5.223 -18.639 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.751 7.717 -17.404 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.490 6.285 -16.382 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.410 6.069 -18.147 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.697 4.847 -17.067 1.00 0.00 H new ATOM 736 N LEU A 47 0.885 5.412 -15.736 1.00 0.00 N ATOM 737 CA LEU A 47 1.621 5.156 -14.504 1.00 0.00 C ATOM 738 C LEU A 47 2.613 6.279 -14.218 1.00 0.00 C ATOM 739 O LEU A 47 2.774 6.701 -13.074 1.00 0.00 O ATOM 740 CB LEU A 47 2.360 3.819 -14.596 1.00 0.00 C ATOM 741 CG LEU A 47 2.352 2.959 -13.332 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.022 1.619 -13.594 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.041 3.687 -12.187 1.00 0.00 C ATOM 0 H LEU A 47 0.975 4.680 -16.441 1.00 0.00 H new ATOM 0 HA LEU A 47 0.904 5.112 -13.684 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.921 3.239 -15.408 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.396 4.018 -14.870 1.00 0.00 H new ATOM 0 HG LEU A 47 1.316 2.775 -13.048 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.007 1.020 -12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.486 1.092 -14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.054 1.783 -13.904 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.026 3.060 -11.296 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.074 3.902 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.518 4.621 -11.982 1.00 0.00 H new ATOM 755 N GLU A 48 3.273 6.760 -15.267 1.00 0.00 N ATOM 756 CA GLU A 48 4.248 7.835 -15.128 1.00 0.00 C ATOM 757 C GLU A 48 3.556 9.194 -15.082 1.00 0.00 C ATOM 758 O GLU A 48 3.970 10.088 -14.346 1.00 0.00 O ATOM 759 CB GLU A 48 5.249 7.799 -16.286 1.00 0.00 C ATOM 760 CG GLU A 48 4.593 7.755 -17.656 1.00 0.00 C ATOM 761 CD GLU A 48 4.896 8.986 -18.488 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.335 10.059 -18.186 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.696 8.875 -19.441 1.00 0.00 O ATOM 0 H GLU A 48 3.150 6.422 -16.222 1.00 0.00 H new ATOM 0 HA GLU A 48 4.783 7.687 -14.190 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.891 8.678 -16.228 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.892 6.926 -16.172 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.934 6.868 -18.189 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.514 7.659 -17.535 1.00 0.00 H new ATOM 770 N GLU A 49 2.499 9.341 -15.876 1.00 0.00 N ATOM 771 CA GLU A 49 1.750 10.591 -15.927 1.00 0.00 C ATOM 772 C GLU A 49 1.304 11.015 -14.530 1.00 0.00 C ATOM 773 O GLU A 49 1.284 12.203 -14.206 1.00 0.00 O ATOM 774 CB GLU A 49 0.532 10.445 -16.841 1.00 0.00 C ATOM 775 CG GLU A 49 -0.310 11.706 -16.939 1.00 0.00 C ATOM 776 CD GLU A 49 -1.193 11.724 -18.172 1.00 0.00 C ATOM 777 OE1 GLU A 49 -2.012 10.794 -18.327 1.00 0.00 O ATOM 778 OE2 GLU A 49 -1.064 12.666 -18.981 1.00 0.00 O ATOM 0 H GLU A 49 2.143 8.610 -16.492 1.00 0.00 H new ATOM 0 HA GLU A 49 2.407 11.362 -16.330 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.869 10.165 -17.839 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.091 9.630 -16.474 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.933 11.792 -16.049 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.346 12.576 -16.954 1.00 0.00 H new ATOM 785 N LYS A 50 0.946 10.035 -13.707 1.00 0.00 N ATOM 786 CA LYS A 50 0.500 10.304 -12.345 1.00 0.00 C ATOM 787 C LYS A 50 1.686 10.373 -11.388 1.00 0.00 C ATOM 788 O LYS A 50 1.670 11.131 -10.418 1.00 0.00 O ATOM 789 CB LYS A 50 -0.479 9.222 -11.884 1.00 0.00 C ATOM 790 CG LYS A 50 0.192 7.909 -11.521 1.00 0.00 C ATOM 791 CD LYS A 50 0.515 7.839 -10.038 1.00 0.00 C ATOM 792 CE LYS A 50 -0.438 6.909 -9.303 1.00 0.00 C ATOM 793 NZ LYS A 50 -1.829 7.440 -9.288 1.00 0.00 N ATOM 0 H LYS A 50 0.956 9.047 -13.960 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.006 11.269 -12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.032 9.589 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.207 9.042 -12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.461 7.079 -11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.109 7.796 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.540 7.492 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.457 8.837 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.429 5.929 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.092 6.769 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.448 6.778 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.843 8.364 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.169 7.550 -10.265 1.00 0.00 H new ATOM 807 N PHE A 51 2.713 9.578 -11.668 1.00 0.00 N ATOM 808 CA PHE A 51 3.908 9.549 -10.833 1.00 0.00 C ATOM 809 C PHE A 51 4.707 10.841 -10.981 1.00 0.00 C ATOM 810 O PHE A 51 5.516 11.185 -10.121 1.00 0.00 O ATOM 811 CB PHE A 51 4.784 8.349 -11.199 1.00 0.00 C ATOM 812 CG PHE A 51 4.732 7.239 -10.190 1.00 0.00 C ATOM 813 CD1 PHE A 51 4.774 7.516 -8.833 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.641 5.918 -10.597 1.00 0.00 C ATOM 815 CE1 PHE A 51 4.728 6.495 -7.902 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.593 4.893 -9.671 1.00 0.00 C ATOM 817 CZ PHE A 51 4.636 5.183 -8.321 1.00 0.00 C ATOM 0 H PHE A 51 2.742 8.945 -12.467 1.00 0.00 H new ATOM 0 HA PHE A 51 3.592 9.455 -9.794 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.470 7.963 -12.169 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.816 8.682 -11.308 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.843 8.541 -8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.607 5.686 -11.651 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.764 6.724 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.522 3.867 -10.002 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.598 4.385 -7.595 1.00 0.00 H new ATOM 827 N ASN A 52 4.473 11.551 -12.080 1.00 0.00 N ATOM 828 CA ASN A 52 5.171 12.804 -12.343 1.00 0.00 C ATOM 829 C ASN A 52 6.658 12.559 -12.579 1.00 0.00 C ATOM 830 O ASN A 52 7.508 13.128 -11.894 1.00 0.00 O ATOM 831 CB ASN A 52 4.981 13.773 -11.174 1.00 0.00 C ATOM 832 CG ASN A 52 5.335 15.201 -11.543 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.504 15.588 -11.519 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.325 15.991 -11.886 1.00 0.00 N ATOM 0 H ASN A 52 3.806 11.280 -12.802 1.00 0.00 H new ATOM 0 HA ASN A 52 4.746 13.245 -13.245 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.945 13.734 -10.838 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.600 13.453 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.502 16.962 -12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.372 15.627 -11.892 1.00 0.00 H new ATOM 841 N VAL A 53 6.965 11.709 -13.553 1.00 0.00 N ATOM 842 CA VAL A 53 8.350 11.389 -13.881 1.00 0.00 C ATOM 843 C VAL A 53 8.656 11.705 -15.341 1.00 0.00 C ATOM 844 O VAL A 53 7.795 12.188 -16.077 1.00 0.00 O ATOM 845 CB VAL A 53 8.662 9.905 -13.612 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.453 9.751 -12.322 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.377 9.092 -13.560 1.00 0.00 C ATOM 0 H VAL A 53 6.274 11.229 -14.129 1.00 0.00 H new ATOM 0 HA VAL A 53 8.978 12.007 -13.239 1.00 0.00 H new ATOM 0 HB VAL A 53 9.272 9.525 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.664 8.696 -12.148 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.391 10.300 -12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.871 10.146 -11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.616 8.046 -13.369 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.739 9.470 -12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.854 9.177 -14.513 1.00 0.00 H new ATOM 857 N THR A 54 9.889 11.429 -15.754 1.00 0.00 N ATOM 858 CA THR A 54 10.309 11.685 -17.126 1.00 0.00 C ATOM 859 C THR A 54 10.827 10.413 -17.788 1.00 0.00 C ATOM 860 O THR A 54 12.024 10.126 -17.751 1.00 0.00 O ATOM 861 CB THR A 54 11.407 12.764 -17.185 1.00 0.00 C ATOM 862 OG1 THR A 54 10.948 13.964 -16.554 1.00 0.00 O ATOM 863 CG2 THR A 54 11.797 13.060 -18.626 1.00 0.00 C ATOM 0 H THR A 54 10.614 11.028 -15.158 1.00 0.00 H new ATOM 0 HA THR A 54 9.431 12.041 -17.665 1.00 0.00 H new ATOM 0 HB THR A 54 12.284 12.389 -16.657 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.652 14.645 -16.594 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.574 13.825 -18.643 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.173 12.151 -19.095 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.924 13.417 -19.173 1.00 0.00 H new ATOM 871 N ILE A 55 9.919 9.654 -18.393 1.00 0.00 N ATOM 872 CA ILE A 55 10.286 8.414 -19.065 1.00 0.00 C ATOM 873 C ILE A 55 9.641 8.324 -20.444 1.00 0.00 C ATOM 874 O ILE A 55 8.881 9.206 -20.844 1.00 0.00 O ATOM 875 CB ILE A 55 9.874 7.182 -18.237 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.735 7.557 -16.760 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.888 6.063 -18.412 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.367 8.089 -16.397 1.00 0.00 C ATOM 0 H ILE A 55 8.924 9.876 -18.431 1.00 0.00 H new ATOM 0 HA ILE A 55 11.371 8.423 -19.174 1.00 0.00 H new ATOM 0 HB ILE A 55 8.907 6.828 -18.595 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.948 6.680 -16.149 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.485 8.308 -16.512 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.583 5.200 -17.821 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.942 5.782 -19.464 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.868 6.404 -18.077 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.342 8.334 -15.335 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.158 8.985 -16.981 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.613 7.332 -16.613 1.00 0.00 H new ATOM 890 N SER A 56 9.948 7.252 -21.166 1.00 0.00 N ATOM 891 CA SER A 56 9.401 7.047 -22.502 1.00 0.00 C ATOM 892 C SER A 56 9.633 5.614 -22.971 1.00 0.00 C ATOM 893 O SER A 56 8.715 4.793 -22.975 1.00 0.00 O ATOM 894 CB SER A 56 10.032 8.028 -23.491 1.00 0.00 C ATOM 895 OG SER A 56 9.162 9.113 -23.759 1.00 0.00 O ATOM 0 H SER A 56 10.573 6.511 -20.848 1.00 0.00 H new ATOM 0 HA SER A 56 8.327 7.227 -22.459 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.972 8.403 -23.086 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.269 7.510 -24.420 1.00 0.00 H new ATOM 0 HG SER A 56 8.798 9.457 -22.916 1.00 0.00 H new ATOM 901 N ASP A 57 10.867 5.320 -23.365 1.00 0.00 N ATOM 902 CA ASP A 57 11.223 3.986 -23.835 1.00 0.00 C ATOM 903 C ASP A 57 11.887 3.178 -22.724 1.00 0.00 C ATOM 904 O ASP A 57 11.853 1.948 -22.735 1.00 0.00 O ATOM 905 CB ASP A 57 12.157 4.080 -25.043 1.00 0.00 C ATOM 906 CG ASP A 57 11.524 3.534 -26.307 1.00 0.00 C ATOM 907 OD1 ASP A 57 11.264 2.313 -26.361 1.00 0.00 O ATOM 908 OD2 ASP A 57 11.289 4.327 -27.243 1.00 0.00 O ATOM 0 H ASP A 57 11.638 5.988 -23.368 1.00 0.00 H new ATOM 0 HA ASP A 57 10.307 3.476 -24.133 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.438 5.121 -25.201 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.075 3.531 -24.833 1.00 0.00 H new ATOM 913 N GLN A 58 12.491 3.878 -21.770 1.00 0.00 N ATOM 914 CA GLN A 58 13.164 3.225 -20.654 1.00 0.00 C ATOM 915 C GLN A 58 12.171 2.440 -19.803 1.00 0.00 C ATOM 916 O GLN A 58 12.507 1.395 -19.245 1.00 0.00 O ATOM 917 CB GLN A 58 13.888 4.260 -19.790 1.00 0.00 C ATOM 918 CG GLN A 58 15.347 3.922 -19.530 1.00 0.00 C ATOM 919 CD GLN A 58 16.293 4.996 -20.030 1.00 0.00 C ATOM 920 OE1 GLN A 58 17.091 5.541 -19.268 1.00 0.00 O ATOM 921 NE2 GLN A 58 16.208 5.306 -21.319 1.00 0.00 N ATOM 0 H GLN A 58 12.528 4.897 -21.747 1.00 0.00 H new ATOM 0 HA GLN A 58 13.896 2.528 -21.062 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.831 5.233 -20.278 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.369 4.351 -18.836 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.498 3.780 -18.460 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.589 2.976 -20.014 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.532 4.829 -21.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.819 6.021 -21.713 1.00 0.00 H new ATOM 930 N ASP A 59 10.949 2.951 -19.707 1.00 0.00 N ATOM 931 CA ASP A 59 9.906 2.297 -18.924 1.00 0.00 C ATOM 932 C ASP A 59 9.441 1.013 -19.604 1.00 0.00 C ATOM 933 O ASP A 59 9.388 -0.047 -18.981 1.00 0.00 O ATOM 934 CB ASP A 59 8.720 3.242 -18.725 1.00 0.00 C ATOM 935 CG ASP A 59 8.237 3.847 -20.029 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.381 3.223 -20.690 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.714 4.944 -20.388 1.00 0.00 O ATOM 0 H ASP A 59 10.656 3.816 -20.161 1.00 0.00 H new ATOM 0 HA ASP A 59 10.323 2.041 -17.950 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.901 2.698 -18.255 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.006 4.041 -18.041 1.00 0.00 H new ATOM 942 N ALA A 60 9.103 1.117 -20.885 1.00 0.00 N ATOM 943 CA ALA A 60 8.643 -0.036 -21.649 1.00 0.00 C ATOM 944 C ALA A 60 9.683 -1.151 -21.641 1.00 0.00 C ATOM 945 O ALA A 60 9.357 -2.320 -21.855 1.00 0.00 O ATOM 946 CB ALA A 60 8.317 0.374 -23.078 1.00 0.00 C ATOM 0 H ALA A 60 9.139 1.988 -21.415 1.00 0.00 H new ATOM 0 HA ALA A 60 7.738 -0.416 -21.176 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.975 -0.497 -23.637 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.533 1.131 -23.069 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.210 0.782 -23.552 1.00 0.00 H new ATOM 952 N LEU A 61 10.935 -0.783 -21.394 1.00 0.00 N ATOM 953 CA LEU A 61 12.024 -1.753 -21.358 1.00 0.00 C ATOM 954 C LEU A 61 12.487 -2.000 -19.926 1.00 0.00 C ATOM 955 O LEU A 61 13.545 -2.587 -19.696 1.00 0.00 O ATOM 956 CB LEU A 61 13.198 -1.262 -22.207 1.00 0.00 C ATOM 957 CG LEU A 61 13.862 0.036 -21.748 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.919 -0.249 -20.692 1.00 0.00 C ATOM 959 CD2 LEU A 61 14.474 0.770 -22.933 1.00 0.00 C ATOM 0 H LEU A 61 11.221 0.180 -21.216 1.00 0.00 H new ATOM 0 HA LEU A 61 11.654 -2.693 -21.768 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.956 -2.045 -22.231 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.848 -1.125 -23.230 1.00 0.00 H new ATOM 0 HG LEU A 61 13.098 0.675 -21.305 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.381 0.687 -20.377 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.454 -0.731 -19.832 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.681 -0.908 -21.109 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.942 1.692 -22.588 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.225 0.136 -23.405 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.694 1.008 -23.656 1.00 0.00 H new ATOM 971 N LYS A 62 11.686 -1.552 -18.965 1.00 0.00 N ATOM 972 CA LYS A 62 12.010 -1.727 -17.554 1.00 0.00 C ATOM 973 C LYS A 62 10.883 -2.449 -16.823 1.00 0.00 C ATOM 974 O LYS A 62 11.097 -3.501 -16.219 1.00 0.00 O ATOM 975 CB LYS A 62 12.270 -0.369 -16.897 1.00 0.00 C ATOM 976 CG LYS A 62 13.729 0.052 -16.930 1.00 0.00 C ATOM 977 CD LYS A 62 13.970 1.292 -16.085 1.00 0.00 C ATOM 978 CE LYS A 62 13.316 2.521 -16.698 1.00 0.00 C ATOM 979 NZ LYS A 62 13.623 3.756 -15.926 1.00 0.00 N ATOM 0 H LYS A 62 10.807 -1.065 -19.138 1.00 0.00 H new ATOM 0 HA LYS A 62 12.912 -2.335 -17.487 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.670 0.389 -17.400 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.934 -0.406 -15.861 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.353 -0.764 -16.566 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.029 0.248 -17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.576 1.132 -15.081 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.042 1.462 -15.984 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.659 2.640 -17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.236 2.376 -16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.159 4.571 -16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.273 3.653 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.652 3.909 -15.910 1.00 0.00 H new ATOM 993 N ILE A 63 9.684 -1.880 -16.883 1.00 0.00 N ATOM 994 CA ILE A 63 8.524 -2.472 -16.228 1.00 0.00 C ATOM 995 C ILE A 63 8.273 -3.889 -16.731 1.00 0.00 C ATOM 996 O ILE A 63 7.657 -4.702 -16.044 1.00 0.00 O ATOM 997 CB ILE A 63 7.257 -1.626 -16.456 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.374 -0.286 -15.727 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.024 -2.384 -15.988 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.068 0.785 -16.538 1.00 0.00 C ATOM 0 H ILE A 63 9.490 -1.010 -17.378 1.00 0.00 H new ATOM 0 HA ILE A 63 8.744 -2.502 -15.161 1.00 0.00 H new ATOM 0 HB ILE A 63 7.156 -1.429 -17.523 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.376 0.061 -15.460 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.919 -0.435 -14.795 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.136 -1.774 -16.155 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.935 -3.315 -16.548 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.116 -2.607 -14.925 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.115 1.707 -15.959 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.079 0.458 -16.783 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.511 0.963 -17.458 1.00 0.00 H new ATOM 1012 N ASN A 64 8.757 -4.179 -17.935 1.00 0.00 N ATOM 1013 CA ASN A 64 8.586 -5.499 -18.530 1.00 0.00 C ATOM 1014 C ASN A 64 8.893 -6.597 -17.515 1.00 0.00 C ATOM 1015 O ASN A 64 8.249 -7.647 -17.506 1.00 0.00 O ATOM 1016 CB ASN A 64 9.493 -5.651 -19.753 1.00 0.00 C ATOM 1017 CG ASN A 64 10.925 -5.978 -19.373 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.460 -7.016 -19.761 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.552 -5.090 -18.611 1.00 0.00 N ATOM 0 H ASN A 64 9.271 -3.517 -18.517 1.00 0.00 H new ATOM 0 HA ASN A 64 7.546 -5.598 -18.842 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.102 -6.439 -20.397 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.475 -4.728 -20.332 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.517 -5.255 -18.324 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.069 -4.243 -18.313 1.00 0.00 H new ATOM 1026 N THR A 65 9.880 -6.346 -16.661 1.00 0.00 N ATOM 1027 CA THR A 65 10.272 -7.313 -15.643 1.00 0.00 C ATOM 1028 C THR A 65 9.937 -6.805 -14.245 1.00 0.00 C ATOM 1029 O THR A 65 10.304 -5.690 -13.873 1.00 0.00 O ATOM 1030 CB THR A 65 11.779 -7.624 -15.715 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.532 -6.532 -15.178 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.209 -7.885 -17.151 1.00 0.00 C ATOM 0 H THR A 65 10.422 -5.482 -16.654 1.00 0.00 H new ATOM 0 HA THR A 65 9.710 -8.226 -15.840 1.00 0.00 H new ATOM 0 HB THR A 65 11.971 -8.521 -15.125 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.378 -6.866 -14.812 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.277 -8.102 -17.177 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.656 -8.736 -17.548 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.003 -7.004 -17.758 1.00 0.00 H new ATOM 1040 N VAL A 66 9.238 -7.631 -13.472 1.00 0.00 N ATOM 1041 CA VAL A 66 8.855 -7.266 -12.113 1.00 0.00 C ATOM 1042 C VAL A 66 10.032 -6.666 -11.353 1.00 0.00 C ATOM 1043 O VAL A 66 9.852 -5.816 -10.481 1.00 0.00 O ATOM 1044 CB VAL A 66 8.322 -8.483 -11.335 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.031 -8.108 -9.890 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.078 -9.043 -12.009 1.00 0.00 C ATOM 0 H VAL A 66 8.926 -8.557 -13.764 1.00 0.00 H new ATOM 0 HA VAL A 66 8.063 -6.522 -12.196 1.00 0.00 H new ATOM 0 HB VAL A 66 9.089 -9.257 -11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.655 -8.981 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.947 -7.758 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.282 -7.316 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.715 -9.903 -11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.304 -8.276 -12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.323 -9.352 -13.025 1.00 0.00 H new ATOM 1056 N GLN A 67 11.238 -7.115 -11.689 1.00 0.00 N ATOM 1057 CA GLN A 67 12.445 -6.622 -11.037 1.00 0.00 C ATOM 1058 C GLN A 67 12.702 -5.163 -11.399 1.00 0.00 C ATOM 1059 O GLN A 67 12.720 -4.291 -10.529 1.00 0.00 O ATOM 1060 CB GLN A 67 13.649 -7.478 -11.433 1.00 0.00 C ATOM 1061 CG GLN A 67 14.576 -7.798 -10.272 1.00 0.00 C ATOM 1062 CD GLN A 67 15.600 -6.707 -10.024 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.777 -6.858 -10.354 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.156 -5.601 -9.440 1.00 0.00 N ATOM 0 H GLN A 67 11.404 -7.819 -12.408 1.00 0.00 H new ATOM 0 HA GLN A 67 12.299 -6.689 -9.959 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.293 -8.411 -11.871 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.215 -6.959 -12.206 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.983 -7.947 -9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.092 -8.737 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.172 -5.519 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.799 -4.833 -9.248 1.00 0.00 H new ATOM 1073 N ASP A 68 12.901 -4.904 -12.686 1.00 0.00 N ATOM 1074 CA ASP A 68 13.156 -3.550 -13.163 1.00 0.00 C ATOM 1075 C ASP A 68 11.956 -2.646 -12.902 1.00 0.00 C ATOM 1076 O ASP A 68 12.100 -1.433 -12.752 1.00 0.00 O ATOM 1077 CB ASP A 68 13.483 -3.565 -14.658 1.00 0.00 C ATOM 1078 CG ASP A 68 14.948 -3.843 -14.927 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.631 -4.364 -14.020 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.413 -3.541 -16.046 1.00 0.00 O ATOM 0 H ASP A 68 12.891 -5.614 -13.418 1.00 0.00 H new ATOM 0 HA ASP A 68 14.012 -3.155 -12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.876 -4.323 -15.152 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.212 -2.604 -15.096 1.00 0.00 H new ATOM 1085 N ALA A 69 10.771 -3.245 -12.849 1.00 0.00 N ATOM 1086 CA ALA A 69 9.545 -2.494 -12.605 1.00 0.00 C ATOM 1087 C ALA A 69 9.586 -1.803 -11.246 1.00 0.00 C ATOM 1088 O ALA A 69 9.602 -0.575 -11.164 1.00 0.00 O ATOM 1089 CB ALA A 69 8.336 -3.414 -12.695 1.00 0.00 C ATOM 0 H ALA A 69 10.634 -4.248 -12.972 1.00 0.00 H new ATOM 0 HA ALA A 69 9.460 -1.725 -13.372 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.428 -2.840 -12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.290 -3.858 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.424 -4.204 -11.949 1.00 0.00 H new ATOM 1095 N ILE A 70 9.603 -2.600 -10.183 1.00 0.00 N ATOM 1096 CA ILE A 70 9.642 -2.064 -8.828 1.00 0.00 C ATOM 1097 C ILE A 70 10.889 -1.213 -8.609 1.00 0.00 C ATOM 1098 O ILE A 70 10.906 -0.326 -7.756 1.00 0.00 O ATOM 1099 CB ILE A 70 9.611 -3.188 -7.776 1.00 0.00 C ATOM 1100 CG1 ILE A 70 10.908 -3.998 -7.824 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.407 -4.091 -8.002 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.958 -3.515 -6.849 1.00 0.00 C ATOM 0 H ILE A 70 9.590 -3.619 -10.234 1.00 0.00 H new ATOM 0 HA ILE A 70 8.755 -1.442 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 70 9.523 -2.738 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.682 -5.043 -7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.315 -3.957 -8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.398 -4.881 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.492 -3.504 -7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.467 -4.536 -8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.850 -4.135 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.213 -2.479 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.569 -3.582 -5.833 1.00 0.00 H new ATOM 1114 N ASP A 71 11.930 -1.489 -9.387 1.00 0.00 N ATOM 1115 CA ASP A 71 13.182 -0.748 -9.281 1.00 0.00 C ATOM 1116 C ASP A 71 13.093 0.578 -10.030 1.00 0.00 C ATOM 1117 O ASP A 71 13.832 1.518 -9.739 1.00 0.00 O ATOM 1118 CB ASP A 71 14.341 -1.581 -9.829 1.00 0.00 C ATOM 1119 CG ASP A 71 15.661 -0.836 -9.786 1.00 0.00 C ATOM 1120 OD1 ASP A 71 15.907 -0.014 -10.694 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.448 -1.075 -8.846 1.00 0.00 O ATOM 0 H ASP A 71 11.932 -2.220 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 71 13.363 -0.538 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.428 -2.501 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.123 -1.869 -10.857 1.00 0.00 H new ATOM 1126 N TYR A 72 12.185 0.645 -10.997 1.00 0.00 N ATOM 1127 CA TYR A 72 12.002 1.854 -11.791 1.00 0.00 C ATOM 1128 C TYR A 72 11.189 2.892 -11.024 1.00 0.00 C ATOM 1129 O TYR A 72 11.405 4.096 -11.167 1.00 0.00 O ATOM 1130 CB TYR A 72 11.307 1.521 -13.113 1.00 0.00 C ATOM 1131 CG TYR A 72 10.141 2.430 -13.429 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.346 3.704 -13.944 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.833 2.013 -13.215 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.283 4.537 -14.234 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.763 2.839 -13.503 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.994 4.100 -14.012 1.00 0.00 C ATOM 1137 OH TYR A 72 6.932 4.927 -14.300 1.00 0.00 O ATOM 0 H TYR A 72 11.564 -0.124 -11.250 1.00 0.00 H new ATOM 0 HA TYR A 72 12.986 2.273 -12.001 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.035 1.583 -13.922 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.955 0.490 -13.079 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.354 4.049 -14.121 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.649 1.026 -12.817 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.460 5.525 -14.632 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.752 2.499 -13.331 1.00 0.00 H new ATOM 0 HH TYR A 72 6.093 4.468 -14.087 1.00 0.00 H new ATOM 1147 N ILE A 73 10.253 2.416 -10.209 1.00 0.00 N ATOM 1148 CA ILE A 73 9.409 3.302 -9.417 1.00 0.00 C ATOM 1149 C ILE A 73 10.100 3.705 -8.119 1.00 0.00 C ATOM 1150 O ILE A 73 9.864 4.791 -7.591 1.00 0.00 O ATOM 1151 CB ILE A 73 8.058 2.641 -9.082 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.253 1.523 -8.057 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.406 2.101 -10.346 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.031 1.968 -6.628 1.00 0.00 C ATOM 0 H ILE A 73 10.060 1.423 -10.080 1.00 0.00 H new ATOM 0 HA ILE A 73 9.230 4.191 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 73 7.399 3.393 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.567 0.708 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.263 1.126 -8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.453 1.637 -10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.237 2.919 -11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.060 1.360 -10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.186 1.124 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.735 2.763 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.012 2.338 -6.516 1.00 0.00 H new ATOM 1166 N GLU A 74 10.955 2.823 -7.611 1.00 0.00 N ATOM 1167 CA GLU A 74 11.682 3.088 -6.375 1.00 0.00 C ATOM 1168 C GLU A 74 12.889 3.984 -6.635 1.00 0.00 C ATOM 1169 O GLU A 74 13.290 4.770 -5.777 1.00 0.00 O ATOM 1170 CB GLU A 74 12.135 1.776 -5.732 1.00 0.00 C ATOM 1171 CG GLU A 74 10.998 0.968 -5.130 1.00 0.00 C ATOM 1172 CD GLU A 74 10.363 1.654 -3.937 1.00 0.00 C ATOM 1173 OE1 GLU A 74 10.888 2.702 -3.506 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.341 1.143 -3.433 1.00 0.00 O ATOM 0 H GLU A 74 11.161 1.919 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 74 11.009 3.605 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.642 1.170 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.865 1.996 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.238 0.794 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.373 -0.009 -4.825 1.00 0.00 H new ATOM 1181 N LYS A 75 13.466 3.859 -7.826 1.00 0.00 N ATOM 1182 CA LYS A 75 14.627 4.656 -8.202 1.00 0.00 C ATOM 1183 C LYS A 75 14.205 6.043 -8.674 1.00 0.00 C ATOM 1184 O LYS A 75 14.927 7.021 -8.482 1.00 0.00 O ATOM 1185 CB LYS A 75 15.421 3.950 -9.303 1.00 0.00 C ATOM 1186 CG LYS A 75 14.776 4.046 -10.675 1.00 0.00 C ATOM 1187 CD LYS A 75 15.309 5.232 -11.460 1.00 0.00 C ATOM 1188 CE LYS A 75 16.564 4.867 -12.238 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.526 6.002 -12.303 1.00 0.00 N ATOM 0 H LYS A 75 13.148 3.212 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 75 15.260 4.768 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.422 4.380 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.538 2.899 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.963 3.127 -11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.696 4.138 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.543 5.587 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.529 6.053 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.046 4.009 -11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.290 4.565 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.368 5.713 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.075 6.813 -12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.808 6.274 -11.340 1.00 0.00 H new ATOM 1203 N ASN A 76 13.031 6.122 -9.291 1.00 0.00 N ATOM 1204 CA ASN A 76 12.512 7.390 -9.790 1.00 0.00 C ATOM 1205 C ASN A 76 11.734 8.125 -8.703 1.00 0.00 C ATOM 1206 O ASN A 76 12.190 9.140 -8.178 1.00 0.00 O ATOM 1207 CB ASN A 76 11.613 7.155 -11.006 1.00 0.00 C ATOM 1208 CG ASN A 76 12.407 6.839 -12.259 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.138 5.853 -12.945 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.391 7.677 -12.563 1.00 0.00 N ATOM 0 H ASN A 76 12.420 5.322 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 76 13.359 8.008 -10.087 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.929 6.333 -10.795 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.002 8.041 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.960 7.516 -13.394 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.578 8.482 -11.965 1.00 0.00 H new ATOM 1217 N ASN A 77 10.557 7.604 -8.371 1.00 0.00 N ATOM 1218 CA ASN A 77 9.715 8.211 -7.346 1.00 0.00 C ATOM 1219 C ASN A 77 10.485 8.382 -6.040 1.00 0.00 C ATOM 1220 O ASN A 77 10.285 9.353 -5.310 1.00 0.00 O ATOM 1221 CB ASN A 77 8.469 7.356 -7.108 1.00 0.00 C ATOM 1222 CG ASN A 77 7.856 6.854 -8.402 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.482 5.687 -8.513 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.752 7.738 -9.388 1.00 0.00 N ATOM 0 H ASN A 77 10.165 6.764 -8.796 1.00 0.00 H new ATOM 0 HA ASN A 77 9.410 9.196 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.730 6.505 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.729 7.941 -6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.349 7.459 -10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.076 8.696 -9.251 1.00 0.00 H new