USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.38 K(o=0.69,f=-0.58) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.307 K(o=0.69,f=-0.58!) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= -0.174 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.215 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00247 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.296 (180deg=-0.303) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.04 (180deg=0.412) USER MOD Single : A 2 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 0.691 (180deg=-0.182) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.412 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.83) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00173 K(o=-0.0017,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 123:sc= -0.104 (180deg=-0.704) USER MOD Single : A 40 GLN : amide:sc= -1.03 K(o=-1,f=-3.9!) USER MOD Single : A 41 GLN : amide:sc= -0.13 K(o=-0.13,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0736 (180deg=-0.329) USER MOD Single : A 49 GLN : amide:sc= 1.28 K(o=1.3,f=-5.8!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.605 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.600 2.132 -5.727 1.00 9.67 N ATOM 2 CA MET A 1 -12.484 2.894 -4.463 1.00 10.38 C ATOM 3 C MET A 1 -11.130 3.473 -4.233 1.00 9.62 C ATOM 4 O MET A 1 -10.211 2.973 -4.880 1.00 9.62 O ATOM 5 CB MET A 1 -12.745 1.924 -3.299 1.00 13.77 C ATOM 6 CG MET A 1 -11.653 0.872 -3.092 1.00 16.29 C ATOM 7 SD MET A 1 -11.852 -0.211 -1.645 1.00 17.17 S ATOM 8 CE MET A 1 -10.327 -1.138 -1.979 1.00 16.11 C ATOM 0 H1 MET A 1 -13.255 1.335 -5.593 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.962 2.756 -6.476 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.665 1.769 -6.001 1.00 9.67 H new ATOM 0 HA MET A 1 -13.199 3.714 -4.525 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.855 2.500 -2.380 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.693 1.416 -3.472 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.604 0.248 -3.984 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.694 1.384 -3.008 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.209 -1.925 -1.235 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.382 -1.583 -2.972 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.473 -0.463 -1.931 1.00 16.11 H new ATOM 20 N GLN A 2 -11.020 4.462 -3.329 1.00 9.27 N ATOM 21 CA GLN A 2 -9.794 5.128 -3.014 1.00 9.07 C ATOM 22 C GLN A 2 -9.268 4.654 -1.704 1.00 8.72 C ATOM 23 O GLN A 2 -9.995 4.667 -0.712 1.00 8.22 O ATOM 24 CB GLN A 2 -10.095 6.635 -2.932 1.00 14.46 C ATOM 25 CG GLN A 2 -10.390 7.339 -4.258 1.00 17.01 C ATOM 26 CD GLN A 2 -10.644 8.834 -4.131 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.398 9.424 -3.080 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.098 9.464 -5.247 1.00 19.49 N ATOM 0 H GLN A 2 -11.816 4.812 -2.796 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.045 4.919 -3.777 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.950 6.778 -2.271 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.244 7.129 -2.464 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.550 7.181 -4.934 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.261 6.872 -4.718 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.287 8.928 -6.094 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.250 10.473 -5.237 1.00 19.49 H new ATOM 37 N ILE A 3 -7.974 4.294 -1.623 1.00 5.87 N ATOM 38 CA ILE A 3 -7.384 3.801 -0.418 1.00 5.07 C ATOM 39 C ILE A 3 -6.273 4.754 -0.139 1.00 4.01 C ATOM 40 O ILE A 3 -5.759 5.360 -1.078 1.00 4.61 O ATOM 41 CB ILE A 3 -6.928 2.372 -0.424 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.880 2.071 -1.509 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.226 1.555 -0.531 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.370 0.633 -1.594 1.00 10.83 C ATOM 0 H ILE A 3 -7.326 4.347 -2.409 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.141 3.763 0.366 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.380 2.107 0.480 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.306 2.338 -2.476 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.024 2.726 -1.346 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.987 0.492 -0.542 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.865 1.774 0.324 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.747 1.819 -1.451 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.638 0.554 -2.397 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.903 0.356 -0.649 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.205 -0.038 -1.797 1.00 10.83 H new ATOM 56 N PHE A 4 -5.833 4.982 1.112 1.00 4.55 N ATOM 57 CA PHE A 4 -4.827 5.913 1.520 1.00 4.68 C ATOM 58 C PHE A 4 -3.571 5.215 1.911 1.00 5.30 C ATOM 59 O PHE A 4 -3.592 4.290 2.720 1.00 5.58 O ATOM 60 CB PHE A 4 -5.286 6.714 2.750 1.00 4.83 C ATOM 61 CG PHE A 4 -6.433 7.657 2.625 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.764 8.149 1.384 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.217 8.028 3.691 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.697 9.147 1.236 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.138 9.040 3.559 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.346 9.644 2.341 1.00 8.90 C ATOM 0 H PHE A 4 -6.216 4.469 1.906 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.653 6.570 0.668 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.536 5.997 3.532 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.429 7.287 3.105 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.281 7.743 0.508 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.109 7.521 4.639 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.920 9.539 0.255 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.704 9.364 4.420 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.007 10.493 2.254 1.00 8.90 H new ATOM 76 N VAL A 5 -2.396 5.532 1.337 1.00 4.44 N ATOM 77 CA VAL A 5 -1.142 4.956 1.712 1.00 3.87 C ATOM 78 C VAL A 5 -0.306 5.993 2.380 1.00 4.93 C ATOM 79 O VAL A 5 0.007 7.007 1.759 1.00 6.84 O ATOM 80 CB VAL A 5 -0.408 4.225 0.627 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.748 3.444 1.276 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.275 3.225 -0.155 1.00 9.13 C ATOM 0 H VAL A 5 -2.317 6.215 0.584 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.369 4.155 2.416 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.070 4.977 -0.086 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.299 2.903 0.507 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.419 4.139 1.781 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.347 2.736 2.001 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.670 2.739 -0.920 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.668 2.472 0.528 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.103 3.753 -0.628 1.00 9.13 H new ATOM 92 N LYS A 6 0.008 5.801 3.674 1.00 6.04 N ATOM 93 CA LYS A 6 0.650 6.802 4.468 1.00 6.12 C ATOM 94 C LYS A 6 2.115 6.536 4.520 1.00 6.57 C ATOM 95 O LYS A 6 2.561 5.413 4.750 1.00 5.76 O ATOM 96 CB LYS A 6 -0.117 7.008 5.785 1.00 7.45 C ATOM 97 CG LYS A 6 -0.075 8.438 6.327 1.00 11.12 C ATOM 98 CD LYS A 6 -1.284 8.738 7.216 1.00 14.54 C ATOM 99 CE LYS A 6 -1.507 10.157 7.744 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.778 10.269 8.494 1.00 20.55 N ATOM 0 H LYS A 6 -0.187 4.936 4.177 1.00 6.04 H new ATOM 0 HA LYS A 6 0.603 7.795 4.020 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.158 6.721 5.633 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.293 6.335 6.538 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.842 8.585 6.897 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.050 9.142 5.496 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.176 8.455 6.658 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.225 8.075 8.079 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.677 10.439 8.391 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.514 10.859 6.910 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.894 11.244 8.836 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.573 10.024 7.869 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.761 9.618 9.305 1.00 20.55 H new ATOM 114 N THR A 7 3.012 7.505 4.264 1.00 7.41 N ATOM 115 CA THR A 7 4.422 7.270 4.287 1.00 7.48 C ATOM 116 C THR A 7 5.019 7.136 5.646 1.00 8.75 C ATOM 117 O THR A 7 4.460 7.459 6.692 1.00 8.58 O ATOM 118 CB THR A 7 5.170 8.193 3.371 1.00 9.61 C ATOM 119 OG1 THR A 7 5.327 9.522 3.845 1.00 11.78 O ATOM 120 CG2 THR A 7 4.447 8.161 2.014 1.00 9.17 C ATOM 0 H THR A 7 2.755 8.466 4.038 1.00 7.41 H new ATOM 0 HA THR A 7 4.548 6.269 3.873 1.00 7.48 H new ATOM 0 HB THR A 7 6.197 7.834 3.297 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.826 10.048 3.185 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.959 8.821 1.313 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.451 7.143 1.623 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.418 8.496 2.142 1.00 9.17 H new ATOM 128 N LEU A 8 6.267 6.637 5.710 1.00 9.84 N ATOM 129 CA LEU A 8 7.171 6.530 6.812 1.00 14.15 C ATOM 130 C LEU A 8 7.313 7.904 7.371 1.00 17.37 C ATOM 131 O LEU A 8 7.300 8.093 8.587 1.00 17.01 O ATOM 132 CB LEU A 8 8.587 6.204 6.310 1.00 16.63 C ATOM 133 CG LEU A 8 9.714 6.107 7.353 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.321 5.564 8.737 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.827 5.223 6.765 1.00 19.31 C ATOM 0 H LEU A 8 6.696 6.257 4.866 1.00 9.84 H new ATOM 0 HA LEU A 8 6.802 5.775 7.507 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.543 5.255 5.776 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.868 6.966 5.583 1.00 16.63 H new ATOM 0 HG LEU A 8 10.028 7.133 7.543 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.199 5.544 9.383 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.561 6.209 9.178 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.924 4.554 8.632 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.641 5.136 7.485 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.428 4.232 6.548 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.202 5.673 5.846 1.00 19.31 H new ATOM 147 N THR A 9 7.460 8.984 6.583 1.00 18.33 N ATOM 148 CA THR A 9 7.582 10.281 7.172 1.00 19.24 C ATOM 149 C THR A 9 6.302 11.008 7.401 1.00 19.48 C ATOM 150 O THR A 9 6.029 11.494 8.498 1.00 23.14 O ATOM 151 CB THR A 9 8.496 11.187 6.402 1.00 18.97 C ATOM 152 OG1 THR A 9 8.101 11.147 5.039 1.00 20.24 O ATOM 153 CG2 THR A 9 9.946 10.674 6.416 1.00 19.70 C ATOM 0 H THR A 9 7.494 8.963 5.564 1.00 18.33 H new ATOM 0 HA THR A 9 8.006 10.047 8.149 1.00 19.24 H new ATOM 0 HB THR A 9 8.440 12.179 6.851 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.683 11.734 4.512 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.579 11.356 5.848 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.303 10.619 7.445 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.985 9.682 5.965 1.00 19.70 H new ATOM 161 N GLY A 10 5.392 11.139 6.419 1.00 19.43 N ATOM 162 CA GLY A 10 4.059 11.516 6.772 1.00 18.74 C ATOM 163 C GLY A 10 3.392 12.253 5.662 1.00 17.62 C ATOM 164 O GLY A 10 3.156 13.459 5.715 1.00 19.74 O ATOM 0 H GLY A 10 5.566 10.992 5.425 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.481 10.626 7.019 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.080 12.141 7.665 1.00 18.74 H new ATOM 168 N LYS A 11 3.100 11.591 4.528 1.00 13.56 N ATOM 169 CA LYS A 11 2.354 12.118 3.428 1.00 11.91 C ATOM 170 C LYS A 11 1.422 11.040 2.992 1.00 10.18 C ATOM 171 O LYS A 11 1.792 9.868 3.016 1.00 9.10 O ATOM 172 CB LYS A 11 3.185 12.373 2.159 1.00 13.43 C ATOM 173 CG LYS A 11 2.473 12.867 0.897 1.00 16.69 C ATOM 174 CD LYS A 11 3.375 13.022 -0.329 1.00 17.92 C ATOM 175 CE LYS A 11 3.450 11.815 -1.267 1.00 20.81 C ATOM 176 NZ LYS A 11 4.318 12.131 -2.423 1.00 21.93 N ATOM 0 H LYS A 11 3.403 10.630 4.371 1.00 13.56 H new ATOM 0 HA LYS A 11 1.914 13.051 3.779 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.955 13.102 2.410 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.696 11.444 1.907 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.670 12.171 0.654 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.008 13.829 1.112 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.029 13.882 -0.903 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.383 13.253 0.014 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.843 10.951 -0.731 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.451 11.549 -1.613 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.769 12.046 -3.302 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.678 13.102 -2.332 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.118 11.466 -2.449 1.00 21.93 H new ATOM 190 N THR A 12 0.178 11.420 2.650 1.00 9.63 N ATOM 191 CA THR A 12 -0.941 10.549 2.462 1.00 9.85 C ATOM 192 C THR A 12 -1.175 10.424 0.996 1.00 11.66 C ATOM 193 O THR A 12 -1.704 11.321 0.341 1.00 12.33 O ATOM 194 CB THR A 12 -2.132 11.031 3.235 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.656 11.383 4.526 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.210 9.944 3.384 1.00 9.63 C ATOM 0 H THR A 12 -0.061 12.399 2.495 1.00 9.63 H new ATOM 0 HA THR A 12 -0.742 9.553 2.858 1.00 9.85 H new ATOM 0 HB THR A 12 -2.592 11.868 2.709 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.402 11.708 5.072 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.052 10.342 3.951 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.552 9.633 2.397 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.791 9.086 3.910 1.00 9.63 H new ATOM 204 N ILE A 13 -0.963 9.239 0.395 1.00 10.42 N ATOM 205 CA ILE A 13 -1.203 9.121 -1.009 1.00 11.84 C ATOM 206 C ILE A 13 -2.618 8.686 -1.183 1.00 10.55 C ATOM 207 O ILE A 13 -3.084 7.939 -0.325 1.00 11.92 O ATOM 208 CB ILE A 13 -0.257 8.110 -1.587 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.158 8.555 -1.182 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.442 7.988 -3.109 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.198 7.486 -1.514 1.00 16.46 C ATOM 0 H ILE A 13 -0.638 8.392 0.860 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.041 10.068 -1.524 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.449 7.109 -1.201 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.410 9.482 -1.697 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.182 8.768 -0.113 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.256 7.249 -3.502 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.463 7.675 -3.328 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.250 8.953 -3.577 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.186 7.834 -1.214 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.959 6.567 -0.978 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.191 7.293 -2.587 1.00 16.46 H new ATOM 223 N THR A 14 -3.391 9.110 -2.199 1.00 9.39 N ATOM 224 CA THR A 14 -4.613 8.436 -2.513 1.00 9.63 C ATOM 225 C THR A 14 -4.534 7.660 -3.782 1.00 11.20 C ATOM 226 O THR A 14 -4.139 8.228 -4.799 1.00 11.63 O ATOM 227 CB THR A 14 -5.805 9.347 -2.544 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.916 10.184 -1.402 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.150 8.644 -2.788 1.00 11.66 C ATOM 0 H THR A 14 -3.174 9.908 -2.796 1.00 9.39 H new ATOM 0 HA THR A 14 -4.755 7.734 -1.691 1.00 9.63 H new ATOM 0 HB THR A 14 -5.597 9.968 -3.415 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.289 9.671 -0.655 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.951 9.383 -2.793 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.123 8.131 -3.749 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.331 7.919 -1.994 1.00 11.66 H new ATOM 237 N LEU A 15 -4.749 6.333 -3.823 1.00 8.29 N ATOM 238 CA LEU A 15 -4.710 5.456 -4.951 1.00 9.03 C ATOM 239 C LEU A 15 -6.067 4.951 -5.304 1.00 8.59 C ATOM 240 O LEU A 15 -6.778 4.384 -4.476 1.00 7.79 O ATOM 241 CB LEU A 15 -3.745 4.298 -4.648 1.00 11.08 C ATOM 242 CG LEU A 15 -2.327 4.832 -4.383 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.454 3.626 -3.998 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.853 5.570 -5.646 1.00 15.88 C ATOM 0 H LEU A 15 -4.975 5.822 -2.970 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.351 6.010 -5.818 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.098 3.741 -3.780 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.727 3.603 -5.487 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.276 5.550 -3.564 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.436 3.962 -3.801 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.860 3.154 -3.103 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.446 2.906 -4.817 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.848 5.959 -5.484 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.843 4.879 -6.489 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.532 6.395 -5.861 1.00 15.88 H new ATOM 256 N GLU A 16 -6.458 5.032 -6.588 1.00 11.04 N ATOM 257 CA GLU A 16 -7.666 4.483 -7.121 1.00 11.50 C ATOM 258 C GLU A 16 -7.396 3.096 -7.593 1.00 10.13 C ATOM 259 O GLU A 16 -6.547 2.710 -8.395 1.00 9.83 O ATOM 260 CB GLU A 16 -8.245 5.271 -8.308 1.00 17.22 C ATOM 261 CG GLU A 16 -9.519 4.803 -9.015 1.00 23.33 C ATOM 262 CD GLU A 16 -10.363 5.867 -9.703 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.812 6.661 -10.511 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.600 5.994 -9.497 1.00 28.86 O ATOM 0 H GLU A 16 -5.898 5.509 -7.295 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.398 4.522 -6.314 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.428 6.287 -7.959 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.463 5.330 -9.065 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.238 4.060 -9.761 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.146 4.296 -8.281 1.00 23.33 H new ATOM 271 N VAL A 17 -8.063 2.160 -6.894 1.00 8.99 N ATOM 272 CA VAL A 17 -7.970 0.735 -6.966 1.00 8.85 C ATOM 273 C VAL A 17 -9.324 0.116 -7.011 1.00 8.04 C ATOM 274 O VAL A 17 -10.364 0.755 -6.858 1.00 8.99 O ATOM 275 CB VAL A 17 -7.320 0.260 -5.700 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.965 0.957 -5.491 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.193 0.381 -4.440 1.00 10.54 C ATOM 0 H VAL A 17 -8.750 2.441 -6.194 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.410 0.461 -7.860 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.169 -0.810 -5.841 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.510 0.599 -4.568 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.307 0.733 -6.331 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.116 2.035 -5.427 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.638 0.014 -3.577 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.461 1.426 -4.282 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.100 -0.210 -4.567 1.00 10.54 H new ATOM 287 N GLU A 18 -9.349 -1.207 -7.256 1.00 7.29 N ATOM 288 CA GLU A 18 -10.497 -2.039 -7.074 1.00 7.08 C ATOM 289 C GLU A 18 -10.126 -2.837 -5.872 1.00 6.45 C ATOM 290 O GLU A 18 -8.957 -3.209 -5.783 1.00 5.28 O ATOM 291 CB GLU A 18 -10.751 -2.966 -8.275 1.00 10.28 C ATOM 292 CG GLU A 18 -11.506 -2.282 -9.416 1.00 12.65 C ATOM 293 CD GLU A 18 -11.846 -3.372 -10.421 1.00 14.15 C ATOM 294 OE1 GLU A 18 -10.868 -3.900 -11.015 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.033 -3.763 -10.584 1.00 14.33 O ATOM 0 H GLU A 18 -8.534 -1.718 -7.595 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.416 -1.463 -6.969 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.796 -3.334 -8.650 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.319 -3.834 -7.941 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.410 -1.798 -9.048 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.894 -1.506 -9.877 1.00 12.65 H new ATOM 302 N PRO A 19 -11.028 -3.237 -5.026 1.00 7.24 N ATOM 303 CA PRO A 19 -10.714 -4.149 -3.965 1.00 7.07 C ATOM 304 C PRO A 19 -10.307 -5.504 -4.433 1.00 6.65 C ATOM 305 O PRO A 19 -9.940 -6.357 -3.626 1.00 6.37 O ATOM 306 CB PRO A 19 -12.011 -4.209 -3.161 1.00 7.61 C ATOM 307 CG PRO A 19 -13.151 -4.014 -4.173 1.00 8.16 C ATOM 308 CD PRO A 19 -12.463 -3.016 -5.119 1.00 7.49 C ATOM 0 HA PRO A 19 -9.851 -3.810 -3.392 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.106 -5.165 -2.646 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.032 -3.432 -2.397 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.434 -4.941 -4.672 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.054 -3.608 -3.717 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -12.807 -3.160 -6.143 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.711 -1.992 -4.841 1.00 7.49 H new ATOM 316 N SER A 20 -10.571 -5.771 -5.724 1.00 6.80 N ATOM 317 CA SER A 20 -10.125 -6.933 -6.429 1.00 6.28 C ATOM 318 C SER A 20 -8.706 -6.921 -6.883 1.00 8.45 C ATOM 319 O SER A 20 -8.122 -7.875 -7.394 1.00 7.26 O ATOM 320 CB SER A 20 -11.032 -7.354 -7.598 1.00 8.57 C ATOM 321 OG SER A 20 -12.361 -6.902 -7.387 1.00 11.13 O ATOM 0 H SER A 20 -11.125 -5.143 -6.307 1.00 6.80 H new ATOM 0 HA SER A 20 -10.195 -7.685 -5.643 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.646 -6.943 -8.531 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.023 -8.439 -7.700 1.00 8.57 H new ATOM 0 HG SER A 20 -12.924 -7.177 -8.141 1.00 11.13 H new ATOM 327 N ASP A 21 -8.032 -5.776 -6.670 1.00 7.50 N ATOM 328 CA ASP A 21 -6.657 -5.647 -7.040 1.00 7.70 C ATOM 329 C ASP A 21 -5.794 -6.260 -5.992 1.00 7.08 C ATOM 330 O ASP A 21 -6.263 -6.221 -4.855 1.00 8.11 O ATOM 331 CB ASP A 21 -6.226 -4.179 -7.201 1.00 11.00 C ATOM 332 CG ASP A 21 -6.803 -3.529 -8.450 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.758 -4.166 -9.536 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.219 -2.345 -8.336 1.00 18.03 O ATOM 0 H ASP A 21 -8.437 -4.943 -6.243 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.543 -6.153 -7.999 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.542 -3.614 -6.324 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.138 -4.127 -7.239 1.00 11.00 H new ATOM 339 N THR A 22 -4.626 -6.891 -6.207 1.00 5.37 N ATOM 340 CA THR A 22 -3.667 -7.267 -5.215 1.00 6.01 C ATOM 341 C THR A 22 -2.788 -6.151 -4.764 1.00 8.01 C ATOM 342 O THR A 22 -2.607 -5.091 -5.361 1.00 8.11 O ATOM 343 CB THR A 22 -2.906 -8.510 -5.567 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.009 -8.150 -6.608 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.887 -9.544 -6.145 1.00 9.65 C ATOM 0 H THR A 22 -4.331 -7.158 -7.146 1.00 5.37 H new ATOM 0 HA THR A 22 -4.264 -7.523 -4.340 1.00 6.01 H new ATOM 0 HB THR A 22 -2.394 -8.919 -4.696 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.484 -8.934 -6.873 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.345 -10.453 -6.405 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.650 -9.776 -5.402 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.361 -9.136 -7.038 1.00 9.65 H new ATOM 353 N ILE A 23 -2.112 -6.473 -3.648 1.00 8.32 N ATOM 354 CA ILE A 23 -1.049 -5.637 -3.182 1.00 9.92 C ATOM 355 C ILE A 23 -0.055 -5.288 -4.235 1.00 10.01 C ATOM 356 O ILE A 23 0.401 -4.145 -4.224 1.00 8.71 O ATOM 357 CB ILE A 23 -0.463 -6.178 -1.912 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.560 -6.603 -0.921 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.522 -5.115 -1.398 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.578 -5.524 -0.554 1.00 12.30 C ATOM 0 H ILE A 23 -2.296 -7.297 -3.076 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.478 -4.668 -2.929 1.00 9.92 H new ATOM 0 HB ILE A 23 0.090 -7.104 -2.069 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.096 -7.453 -1.344 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.082 -6.951 -0.006 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.979 -5.460 -0.471 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.298 -4.947 -2.144 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.012 -4.183 -1.214 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.304 -5.933 0.149 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.064 -4.680 -0.095 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.094 -5.189 -1.454 1.00 12.30 H new ATOM 372 N GLU A 24 0.395 -6.218 -5.096 1.00 9.54 N ATOM 373 CA GLU A 24 1.293 -5.976 -6.182 1.00 11.81 C ATOM 374 C GLU A 24 0.880 -4.906 -7.134 1.00 11.14 C ATOM 375 O GLU A 24 1.796 -4.337 -7.726 1.00 10.62 O ATOM 376 CB GLU A 24 1.265 -7.333 -6.904 1.00 19.24 C ATOM 377 CG GLU A 24 2.309 -7.405 -8.020 1.00 27.76 C ATOM 378 CD GLU A 24 2.399 -8.845 -8.505 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.428 -9.397 -9.087 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.535 -9.373 -8.367 1.00 36.51 O ATOM 0 H GLU A 24 0.115 -7.197 -5.029 1.00 9.54 H new ATOM 0 HA GLU A 24 2.259 -5.627 -5.817 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.447 -8.131 -6.184 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.273 -7.501 -7.323 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.031 -6.745 -8.842 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.279 -7.067 -7.654 1.00 27.76 H new ATOM 387 N ASN A 25 -0.411 -4.563 -7.293 1.00 9.43 N ATOM 388 CA ASN A 25 -0.895 -3.528 -8.153 1.00 10.96 C ATOM 389 C ASN A 25 -0.890 -2.210 -7.459 1.00 9.68 C ATOM 390 O ASN A 25 -0.682 -1.126 -8.000 1.00 9.33 O ATOM 391 CB ASN A 25 -2.285 -3.922 -8.680 1.00 16.78 C ATOM 392 CG ASN A 25 -2.710 -3.102 -9.890 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.380 -2.074 -9.805 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.377 -3.601 -11.110 1.00 24.70 N ATOM 0 H ASN A 25 -1.161 -5.037 -6.791 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.231 -3.416 -9.010 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.282 -4.979 -8.946 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.020 -3.796 -7.885 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.683 -3.123 -11.957 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -1.821 -4.454 -11.178 1.00 24.70 H new ATOM 401 N VAL A 26 -1.175 -2.310 -6.148 1.00 6.52 N ATOM 402 CA VAL A 26 -1.210 -1.203 -5.243 1.00 5.53 C ATOM 403 C VAL A 26 0.137 -0.566 -5.222 1.00 4.42 C ATOM 404 O VAL A 26 0.347 0.626 -5.444 1.00 3.40 O ATOM 405 CB VAL A 26 -1.608 -1.457 -3.819 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.722 -0.134 -3.043 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.989 -2.134 -3.800 1.00 8.12 C ATOM 0 H VAL A 26 -1.390 -3.201 -5.700 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.011 -0.580 -5.642 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.850 -2.089 -3.356 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.012 -0.340 -2.013 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.760 0.378 -3.054 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.475 0.499 -3.512 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.287 -2.323 -2.769 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.721 -1.481 -4.276 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.939 -3.078 -4.342 1.00 8.12 H new ATOM 417 N LYS A 27 1.153 -1.433 -5.067 1.00 2.64 N ATOM 418 CA LYS A 27 2.528 -1.043 -5.118 1.00 4.14 C ATOM 419 C LYS A 27 3.065 -0.441 -6.370 1.00 5.58 C ATOM 420 O LYS A 27 3.984 0.375 -6.422 1.00 4.11 O ATOM 421 CB LYS A 27 3.349 -2.320 -4.867 1.00 3.97 C ATOM 422 CG LYS A 27 3.284 -2.919 -3.461 1.00 7.45 C ATOM 423 CD LYS A 27 4.235 -4.100 -3.257 1.00 9.02 C ATOM 424 CE LYS A 27 4.471 -4.354 -1.766 1.00 12.90 C ATOM 425 NZ LYS A 27 5.314 -5.561 -1.614 1.00 15.47 N ATOM 0 H LYS A 27 1.016 -2.430 -4.902 1.00 2.64 H new ATOM 0 HA LYS A 27 2.605 -0.242 -4.382 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.019 -3.080 -5.575 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.392 -2.103 -5.095 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.519 -2.143 -2.733 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.264 -3.245 -3.260 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.818 -4.994 -3.722 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.185 -3.898 -3.751 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.959 -3.493 -1.309 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.520 -4.491 -1.252 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.220 -5.930 -0.646 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.007 -6.287 -2.293 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.308 -5.315 -1.796 1.00 15.47 H new ATOM 439 N ALA A 28 2.461 -0.781 -7.523 1.00 6.61 N ATOM 440 CA ALA A 28 2.972 -0.313 -8.773 1.00 7.74 C ATOM 441 C ALA A 28 2.647 1.131 -8.943 1.00 9.17 C ATOM 442 O ALA A 28 3.402 1.916 -9.515 1.00 11.45 O ATOM 443 CB ALA A 28 2.276 -1.266 -9.759 1.00 7.68 C ATOM 0 H ALA A 28 1.632 -1.371 -7.590 1.00 6.61 H new ATOM 0 HA ALA A 28 4.054 -0.336 -8.899 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.579 -1.021 -10.777 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.560 -2.294 -9.533 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.195 -1.159 -9.667 1.00 7.68 H new ATOM 449 N LYS A 29 1.523 1.557 -8.340 1.00 8.96 N ATOM 450 CA LYS A 29 1.184 2.941 -8.214 1.00 7.90 C ATOM 451 C LYS A 29 2.101 3.762 -7.374 1.00 6.92 C ATOM 452 O LYS A 29 2.455 4.914 -7.622 1.00 6.87 O ATOM 453 CB LYS A 29 -0.178 3.087 -7.515 1.00 10.28 C ATOM 454 CG LYS A 29 -1.381 2.221 -7.895 1.00 14.94 C ATOM 455 CD LYS A 29 -1.884 2.261 -9.340 1.00 19.69 C ATOM 456 CE LYS A 29 -3.164 1.462 -9.595 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.464 1.327 -11.038 1.00 24.98 N ATOM 0 H LYS A 29 0.834 0.926 -7.931 1.00 8.96 H new ATOM 0 HA LYS A 29 1.221 3.297 -9.244 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.003 2.932 -6.450 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.486 4.125 -7.640 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.132 1.186 -7.660 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.211 2.504 -7.247 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.059 3.300 -9.621 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -1.099 1.882 -9.994 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.065 0.471 -9.153 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.001 1.952 -9.097 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.339 0.779 -11.161 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -3.585 2.271 -11.457 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -2.679 0.836 -11.511 1.00 24.98 H new ATOM 471 N ILE A 30 2.636 3.200 -6.276 1.00 4.57 N ATOM 472 CA ILE A 30 3.653 3.744 -5.431 1.00 5.58 C ATOM 473 C ILE A 30 4.940 3.874 -6.172 1.00 7.26 C ATOM 474 O ILE A 30 5.580 4.924 -6.140 1.00 9.46 O ATOM 475 CB ILE A 30 3.766 3.176 -4.048 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.520 3.251 -3.148 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.967 3.738 -3.269 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.568 2.216 -2.025 1.00 2.00 C ATOM 0 H ILE A 30 2.328 2.283 -5.952 1.00 4.57 H new ATOM 0 HA ILE A 30 3.313 4.749 -5.183 1.00 5.58 H new ATOM 0 HB ILE A 30 3.905 2.119 -4.273 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.441 4.250 -2.719 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.626 3.092 -3.751 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.998 3.291 -2.275 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.888 3.503 -3.802 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.867 4.820 -3.177 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.671 2.302 -1.412 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.620 1.215 -2.454 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.448 2.391 -1.406 1.00 2.00 H new ATOM 490 N GLN A 31 5.385 2.915 -7.003 1.00 7.06 N ATOM 491 CA GLN A 31 6.474 3.082 -7.915 1.00 8.67 C ATOM 492 C GLN A 31 6.366 4.138 -8.961 1.00 10.90 C ATOM 493 O GLN A 31 7.370 4.702 -9.392 1.00 9.63 O ATOM 494 CB GLN A 31 6.633 1.695 -8.559 1.00 9.12 C ATOM 495 CG GLN A 31 7.796 1.457 -9.524 1.00 10.76 C ATOM 496 CD GLN A 31 7.805 0.041 -10.080 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.748 -0.584 -10.159 1.00 14.48 O ATOM 498 NE2 GLN A 31 9.008 -0.369 -10.565 1.00 14.76 N ATOM 0 H GLN A 31 4.969 1.985 -7.041 1.00 7.06 H new ATOM 0 HA GLN A 31 7.331 3.446 -7.348 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.718 0.966 -7.754 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.710 1.472 -9.094 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.733 2.168 -10.348 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.737 1.649 -9.009 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.832 0.221 -10.451 1.00 14.76 H new ATOM 0 HE22 GLN A 31 9.086 -1.267 -11.043 1.00 14.76 H new ATOM 507 N ASP A 32 5.096 4.369 -9.339 1.00 10.93 N ATOM 508 CA ASP A 32 4.781 5.332 -10.348 1.00 14.01 C ATOM 509 C ASP A 32 4.843 6.719 -9.807 1.00 14.04 C ATOM 510 O ASP A 32 5.369 7.550 -10.545 1.00 13.39 O ATOM 511 CB ASP A 32 3.390 4.927 -10.867 1.00 18.01 C ATOM 512 CG ASP A 32 3.107 5.560 -12.222 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.697 5.081 -13.227 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.204 6.439 -12.260 1.00 25.17 O ATOM 0 H ASP A 32 4.287 3.889 -8.946 1.00 10.93 H new ATOM 0 HA ASP A 32 5.500 5.339 -11.167 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.331 3.842 -10.949 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.627 5.235 -10.152 1.00 18.01 H new ATOM 519 N LYS A 33 4.205 6.974 -8.651 1.00 14.22 N ATOM 520 CA LYS A 33 4.003 8.287 -8.124 1.00 14.00 C ATOM 521 C LYS A 33 5.194 8.777 -7.374 1.00 12.37 C ATOM 522 O LYS A 33 5.755 9.793 -7.782 1.00 12.17 O ATOM 523 CB LYS A 33 2.876 8.203 -7.080 1.00 18.62 C ATOM 524 CG LYS A 33 1.499 7.962 -7.702 1.00 24.00 C ATOM 525 CD LYS A 33 0.356 7.997 -6.686 1.00 27.61 C ATOM 526 CE LYS A 33 -0.029 9.441 -6.358 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.616 10.101 -7.546 1.00 30.06 N ATOM 0 H LYS A 33 3.815 6.238 -8.062 1.00 14.22 H new ATOM 0 HA LYS A 33 3.789 8.951 -8.962 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.097 7.398 -6.379 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.852 9.129 -6.505 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.318 8.717 -8.467 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.500 6.994 -8.203 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.508 7.466 -7.085 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.656 7.479 -5.775 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.744 9.456 -5.535 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.851 9.992 -6.025 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.566 10.453 -7.313 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.013 10.897 -7.834 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.682 9.417 -8.326 1.00 30.06 H new ATOM 541 N GLU A 34 5.627 8.036 -6.339 1.00 10.11 N ATOM 542 CA GLU A 34 6.760 8.258 -5.494 1.00 10.07 C ATOM 543 C GLU A 34 8.028 7.847 -6.160 1.00 9.32 C ATOM 544 O GLU A 34 8.993 8.610 -6.146 1.00 11.61 O ATOM 545 CB GLU A 34 6.659 7.365 -4.247 1.00 14.77 C ATOM 546 CG GLU A 34 5.439 7.614 -3.358 1.00 18.75 C ATOM 547 CD GLU A 34 4.986 9.067 -3.321 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.948 9.832 -3.044 1.00 21.95 O ATOM 549 OE2 GLU A 34 3.866 9.518 -3.680 1.00 25.19 O ATOM 0 H GLU A 34 5.127 7.190 -6.067 1.00 10.11 H new ATOM 0 HA GLU A 34 6.767 9.322 -5.256 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.647 6.323 -4.567 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.559 7.504 -3.647 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.613 6.996 -3.710 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.670 7.290 -2.343 1.00 18.75 H new ATOM 556 N GLY A 35 8.123 6.674 -6.811 1.00 7.22 N ATOM 557 CA GLY A 35 9.364 6.132 -7.269 1.00 6.29 C ATOM 558 C GLY A 35 10.142 5.453 -6.194 1.00 6.93 C ATOM 559 O GLY A 35 11.345 5.670 -6.052 1.00 7.41 O ATOM 0 H GLY A 35 7.316 6.087 -7.024 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.168 5.420 -8.071 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.968 6.934 -7.694 1.00 6.29 H new ATOM 563 N ILE A 36 9.517 4.542 -5.428 1.00 5.86 N ATOM 564 CA ILE A 36 10.129 3.656 -4.487 1.00 6.07 C ATOM 565 C ILE A 36 9.938 2.293 -5.056 1.00 6.36 C ATOM 566 O ILE A 36 8.856 1.942 -5.525 1.00 6.18 O ATOM 567 CB ILE A 36 9.392 3.785 -3.186 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.297 5.268 -2.791 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.134 2.962 -2.120 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.891 5.535 -1.342 1.00 9.49 C ATOM 0 H ILE A 36 8.506 4.416 -5.471 1.00 5.86 H new ATOM 0 HA ILE A 36 11.184 3.867 -4.313 1.00 6.07 H new ATOM 0 HB ILE A 36 8.376 3.402 -3.279 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.264 5.738 -2.972 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.577 5.756 -3.448 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.611 3.045 -1.167 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.167 1.916 -2.426 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.150 3.341 -2.010 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.854 6.610 -1.167 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.908 5.102 -1.154 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.621 5.083 -0.670 1.00 9.49 H new ATOM 582 N PRO A 37 10.874 1.394 -4.980 1.00 8.65 N ATOM 583 CA PRO A 37 10.823 0.078 -5.546 1.00 9.18 C ATOM 584 C PRO A 37 9.892 -0.800 -4.783 1.00 9.85 C ATOM 585 O PRO A 37 9.620 -0.512 -3.618 1.00 8.51 O ATOM 586 CB PRO A 37 12.255 -0.453 -5.531 1.00 11.42 C ATOM 587 CG PRO A 37 13.141 0.791 -5.702 1.00 9.27 C ATOM 588 CD PRO A 37 12.269 1.808 -4.950 1.00 8.33 C ATOM 0 HA PRO A 37 10.436 0.099 -6.565 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.475 -0.969 -4.596 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.419 -1.169 -6.337 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.128 0.670 -5.256 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.295 1.059 -6.747 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.608 1.895 -3.918 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.373 2.793 -5.404 1.00 8.33 H new ATOM 596 N PRO A 38 9.245 -1.746 -5.397 1.00 8.71 N ATOM 597 CA PRO A 38 8.131 -2.376 -4.751 1.00 9.08 C ATOM 598 C PRO A 38 8.453 -3.320 -3.644 1.00 9.28 C ATOM 599 O PRO A 38 7.651 -3.574 -2.746 1.00 6.50 O ATOM 600 CB PRO A 38 7.320 -2.905 -5.932 1.00 10.31 C ATOM 601 CG PRO A 38 8.282 -3.127 -7.109 1.00 10.81 C ATOM 602 CD PRO A 38 9.568 -2.426 -6.642 1.00 12.00 C ATOM 0 HA PRO A 38 7.544 -1.690 -4.140 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.823 -3.838 -5.665 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.540 -2.195 -6.207 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.447 -4.187 -7.301 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.898 -2.692 -8.032 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.370 -3.149 -6.491 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.916 -1.716 -7.392 1.00 12.00 H new ATOM 610 N ASP A 39 9.619 -3.986 -3.709 1.00 11.20 N ATOM 611 CA ASP A 39 10.072 -4.783 -2.611 1.00 14.96 C ATOM 612 C ASP A 39 10.443 -4.142 -1.319 1.00 13.99 C ATOM 613 O ASP A 39 10.440 -4.692 -0.219 1.00 13.75 O ATOM 614 CB ASP A 39 11.257 -5.647 -3.076 1.00 24.16 C ATOM 615 CG ASP A 39 12.474 -4.819 -3.463 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.332 -3.906 -4.319 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.551 -5.032 -2.844 1.00 35.55 O ATOM 0 H ASP A 39 10.244 -3.974 -4.515 1.00 11.20 H new ATOM 0 HA ASP A 39 9.167 -5.332 -2.350 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.532 -6.338 -2.279 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.948 -6.251 -3.929 1.00 24.16 H new ATOM 622 N GLN A 40 10.843 -2.866 -1.468 1.00 11.60 N ATOM 623 CA GLN A 40 11.315 -1.890 -0.536 1.00 10.76 C ATOM 624 C GLN A 40 10.145 -1.329 0.195 1.00 8.01 C ATOM 625 O GLN A 40 10.244 -0.831 1.316 1.00 8.96 O ATOM 626 CB GLN A 40 12.106 -0.740 -1.181 1.00 11.14 C ATOM 627 CG GLN A 40 13.501 -1.012 -1.748 1.00 14.85 C ATOM 628 CD GLN A 40 14.401 0.187 -2.013 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.781 0.514 -3.135 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.898 0.846 -0.932 1.00 18.16 N ATOM 0 H GLN A 40 10.829 -2.460 -2.403 1.00 11.60 H new ATOM 0 HA GLN A 40 12.008 -2.399 0.133 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.497 -0.338 -1.991 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.204 0.048 -0.434 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.021 -1.676 -1.057 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.382 -1.556 -2.685 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.594 0.588 0.007 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.575 1.598 -1.060 1.00 18.16 H new ATOM 639 N GLN A 41 8.998 -1.318 -0.508 1.00 6.52 N ATOM 640 CA GLN A 41 7.666 -1.025 -0.078 1.00 3.87 C ATOM 641 C GLN A 41 7.178 -2.084 0.850 1.00 4.79 C ATOM 642 O GLN A 41 6.777 -3.165 0.423 1.00 6.34 O ATOM 643 CB GLN A 41 6.642 -0.671 -1.170 1.00 4.20 C ATOM 644 CG GLN A 41 6.927 0.572 -2.015 1.00 3.20 C ATOM 645 CD GLN A 41 6.014 0.451 -3.226 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.829 0.139 -3.118 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.642 0.581 -4.426 1.00 7.13 N ATOM 0 H GLN A 41 9.012 -1.544 -1.503 1.00 6.52 H new ATOM 0 HA GLN A 41 7.751 -0.079 0.457 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.555 -1.525 -1.842 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.670 -0.541 -0.693 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.720 1.484 -1.455 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.974 0.613 -2.314 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.627 0.842 -4.460 1.00 7.13 H new ATOM 0 HE22 GLN A 41 6.127 0.417 -5.291 1.00 7.13 H new ATOM 656 N ARG A 42 7.359 -1.944 2.175 1.00 5.73 N ATOM 657 CA ARG A 42 6.816 -2.761 3.216 1.00 6.97 C ATOM 658 C ARG A 42 5.544 -2.161 3.707 1.00 7.15 C ATOM 659 O ARG A 42 5.427 -1.164 4.417 1.00 7.33 O ATOM 660 CB ARG A 42 7.906 -3.025 4.268 1.00 13.23 C ATOM 661 CG ARG A 42 7.415 -3.440 5.657 1.00 21.27 C ATOM 662 CD ARG A 42 8.647 -3.535 6.558 1.00 26.14 C ATOM 663 NE ARG A 42 8.075 -4.276 7.718 1.00 32.26 N ATOM 664 CZ ARG A 42 8.468 -4.084 9.011 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.481 -3.245 9.374 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.986 -4.970 9.931 1.00 36.39 N ATOM 0 H ARG A 42 7.937 -1.192 2.549 1.00 5.73 H new ATOM 0 HA ARG A 42 6.527 -3.751 2.863 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.566 -3.806 3.890 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.508 -2.122 4.372 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.706 -2.711 6.049 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.896 -4.397 5.612 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.467 -4.075 6.084 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.031 -2.555 6.840 1.00 26.14 H new ATOM 0 HE ARG A 42 7.347 -4.967 7.535 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.989 -2.721 8.662 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.730 -3.142 10.358 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.367 -5.725 9.636 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.245 -4.877 10.913 1.00 36.39 H new ATOM 680 N LEU A 43 4.477 -2.758 3.146 1.00 4.65 N ATOM 681 CA LEU A 43 3.188 -2.171 3.344 1.00 3.51 C ATOM 682 C LEU A 43 2.588 -2.956 4.460 1.00 5.56 C ATOM 683 O LEU A 43 2.601 -4.181 4.573 1.00 4.19 O ATOM 684 CB LEU A 43 2.481 -2.240 1.980 1.00 3.74 C ATOM 685 CG LEU A 43 1.188 -1.409 1.919 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.529 0.090 1.921 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.479 -1.746 0.596 1.00 9.55 C ATOM 0 H LEU A 43 4.499 -3.607 2.581 1.00 4.65 H new ATOM 0 HA LEU A 43 3.146 -1.123 3.639 1.00 3.51 H new ATOM 0 HB2 LEU A 43 3.165 -1.891 1.207 1.00 3.74 H new ATOM 0 HB3 LEU A 43 2.247 -3.280 1.753 1.00 3.74 H new ATOM 0 HG LEU A 43 0.557 -1.635 2.778 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.609 0.673 1.878 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.073 0.338 2.832 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.147 0.324 1.054 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -0.444 -1.172 0.521 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.131 -1.495 -0.241 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.247 -2.811 0.568 1.00 9.55 H new ATOM 699 N ILE A 44 2.055 -2.264 5.482 1.00 4.58 N ATOM 700 CA ILE A 44 1.537 -2.775 6.713 1.00 5.55 C ATOM 701 C ILE A 44 0.126 -2.308 6.822 1.00 5.46 C ATOM 702 O ILE A 44 -0.121 -1.155 6.474 1.00 6.04 O ATOM 703 CB ILE A 44 2.390 -2.256 7.832 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.880 -2.532 7.567 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.920 -2.997 9.095 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.817 -2.067 8.682 1.00 13.90 C ATOM 0 H ILE A 44 1.981 -1.248 5.440 1.00 4.58 H new ATOM 0 HA ILE A 44 1.554 -3.864 6.758 1.00 5.55 H new ATOM 0 HB ILE A 44 2.289 -1.176 7.936 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.017 -3.603 7.417 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.168 -2.040 6.638 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.505 -2.663 9.952 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.865 -2.784 9.270 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.056 -4.070 8.959 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.847 -2.301 8.413 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.713 -0.991 8.819 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.560 -2.578 9.610 1.00 13.90 H new ATOM 718 N PHE A 45 -0.830 -3.179 7.192 1.00 6.75 N ATOM 719 CA PHE A 45 -2.187 -2.781 7.402 1.00 4.70 C ATOM 720 C PHE A 45 -2.377 -3.039 8.857 1.00 6.34 C ATOM 721 O PHE A 45 -2.656 -4.187 9.199 1.00 5.45 O ATOM 722 CB PHE A 45 -3.159 -3.530 6.474 1.00 5.51 C ATOM 723 CG PHE A 45 -4.598 -3.207 6.683 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.201 -1.975 6.577 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.402 -4.256 7.061 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.522 -1.774 6.899 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.745 -4.089 7.309 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.319 -2.841 7.242 1.00 6.84 C ATOM 0 H PHE A 45 -0.659 -4.172 7.347 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.397 -1.741 7.151 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.897 -3.305 5.440 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.018 -4.602 6.613 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.616 -1.137 6.229 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.967 -5.239 7.166 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.935 -0.776 6.883 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.354 -4.945 7.558 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.369 -2.702 7.453 1.00 6.84 H new ATOM 738 N ALA A 46 -2.378 -2.041 9.759 1.00 6.53 N ATOM 739 CA ALA A 46 -2.404 -2.158 11.184 1.00 7.15 C ATOM 740 C ALA A 46 -1.189 -2.855 11.694 1.00 9.00 C ATOM 741 O ALA A 46 -0.173 -2.170 11.799 1.00 11.15 O ATOM 742 CB ALA A 46 -3.705 -2.814 11.676 1.00 8.99 C ATOM 0 H ALA A 46 -2.359 -1.065 9.462 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.388 -1.150 11.599 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.688 -2.886 12.764 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.557 -2.209 11.366 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.793 -3.813 11.248 1.00 8.99 H new ATOM 748 N GLY A 47 -1.238 -4.170 11.972 1.00 9.35 N ATOM 749 CA GLY A 47 -0.069 -4.984 12.093 1.00 11.68 C ATOM 750 C GLY A 47 0.046 -6.157 11.181 1.00 11.14 C ATOM 751 O GLY A 47 0.862 -7.065 11.326 1.00 13.93 O ATOM 0 H GLY A 47 -2.110 -4.679 12.116 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.802 -4.348 11.936 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.017 -5.348 13.119 1.00 11.68 H new ATOM 755 N LYS A 48 -0.753 -6.202 10.099 1.00 10.47 N ATOM 756 CA LYS A 48 -0.688 -7.205 9.082 1.00 8.82 C ATOM 757 C LYS A 48 0.369 -6.779 8.123 1.00 7.68 C ATOM 758 O LYS A 48 0.196 -5.836 7.353 1.00 6.47 O ATOM 759 CB LYS A 48 -2.028 -7.553 8.412 1.00 9.74 C ATOM 760 CG LYS A 48 -3.102 -7.917 9.438 1.00 14.14 C ATOM 761 CD LYS A 48 -2.890 -9.087 10.401 1.00 16.32 C ATOM 762 CE LYS A 48 -4.193 -9.405 11.137 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.251 -9.958 10.261 1.00 23.92 N ATOM 0 H LYS A 48 -1.478 -5.506 9.926 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.429 -8.158 9.543 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.367 -6.705 7.817 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.885 -8.387 7.725 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -3.282 -7.029 10.045 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -4.020 -8.117 8.886 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.551 -9.964 9.850 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.108 -8.840 11.119 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.985 -10.118 11.935 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.564 -8.496 11.610 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.965 -10.442 10.842 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.702 -9.185 9.731 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.830 -10.636 9.594 1.00 23.92 H new ATOM 777 N GLN A 49 1.455 -7.569 8.043 1.00 8.89 N ATOM 778 CA GLN A 49 2.386 -7.411 6.969 1.00 7.18 C ATOM 779 C GLN A 49 1.827 -7.949 5.697 1.00 8.23 C ATOM 780 O GLN A 49 1.462 -9.123 5.697 1.00 9.70 O ATOM 781 CB GLN A 49 3.797 -7.923 7.303 1.00 11.67 C ATOM 782 CG GLN A 49 4.790 -7.214 6.379 1.00 15.82 C ATOM 783 CD GLN A 49 6.128 -7.358 7.089 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.615 -6.556 7.885 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.791 -8.507 6.791 1.00 20.67 N ATOM 0 H GLN A 49 1.686 -8.305 8.710 1.00 8.89 H new ATOM 0 HA GLN A 49 2.530 -6.341 6.817 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.038 -7.722 8.347 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.853 -9.003 7.165 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.812 -7.673 5.391 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.525 -6.166 6.238 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.388 -9.172 6.131 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.692 -8.704 7.227 1.00 20.67 H new ATOM 794 N LEU A 50 1.735 -7.159 4.612 1.00 6.51 N ATOM 795 CA LEU A 50 0.822 -7.574 3.593 1.00 7.41 C ATOM 796 C LEU A 50 1.575 -8.346 2.564 1.00 8.27 C ATOM 797 O LEU A 50 2.704 -8.041 2.186 1.00 8.34 O ATOM 798 CB LEU A 50 0.162 -6.331 2.974 1.00 7.13 C ATOM 799 CG LEU A 50 -0.777 -5.490 3.856 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.936 -4.107 3.203 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.165 -6.141 3.990 1.00 8.14 C ATOM 0 H LEU A 50 2.251 -6.295 4.444 1.00 6.51 H new ATOM 0 HA LEU A 50 0.040 -8.210 4.009 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.956 -5.676 2.615 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.404 -6.655 2.100 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.344 -5.413 4.854 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.599 -3.491 3.811 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.039 -3.626 3.128 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.361 -4.222 2.206 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.800 -5.518 4.620 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.618 -6.239 3.003 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.062 -7.128 4.442 1.00 8.14 H new ATOM 813 N GLU A 51 1.092 -9.522 2.124 1.00 9.43 N ATOM 814 CA GLU A 51 1.608 -10.354 1.082 1.00 11.90 C ATOM 815 C GLU A 51 1.189 -9.752 -0.215 1.00 11.49 C ATOM 816 O GLU A 51 0.115 -9.166 -0.341 1.00 9.88 O ATOM 817 CB GLU A 51 1.203 -11.835 1.169 1.00 16.56 C ATOM 818 CG GLU A 51 1.721 -12.630 2.370 1.00 26.06 C ATOM 819 CD GLU A 51 3.234 -12.789 2.359 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.672 -13.830 1.801 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.969 -11.960 2.960 1.00 33.44 O ATOM 0 H GLU A 51 0.255 -9.928 2.543 1.00 9.43 H new ATOM 0 HA GLU A 51 2.693 -10.381 1.184 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.114 -11.888 1.172 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.544 -12.333 0.261 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.419 -12.129 3.290 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.256 -13.616 2.376 1.00 26.06 H new ATOM 828 N ASP A 52 2.010 -9.975 -1.257 1.00 12.71 N ATOM 829 CA ASP A 52 1.904 -9.316 -2.521 1.00 16.56 C ATOM 830 C ASP A 52 0.699 -9.759 -3.278 1.00 15.83 C ATOM 831 O ASP A 52 0.099 -9.067 -4.099 1.00 17.21 O ATOM 832 CB ASP A 52 3.176 -9.557 -3.352 1.00 21.05 C ATOM 833 CG ASP A 52 4.459 -8.921 -2.837 1.00 25.12 C ATOM 834 OD1 ASP A 52 5.106 -9.377 -1.857 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.808 -7.799 -3.293 1.00 28.37 O ATOM 0 H ASP A 52 2.780 -10.643 -1.216 1.00 12.71 H new ATOM 0 HA ASP A 52 1.796 -8.248 -2.330 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.335 -10.633 -3.426 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.997 -9.191 -4.363 1.00 21.05 H new ATOM 840 N GLY A 53 0.398 -11.062 -3.143 1.00 15.00 N ATOM 841 CA GLY A 53 -0.451 -11.666 -4.123 1.00 11.77 C ATOM 842 C GLY A 53 -1.843 -11.881 -3.636 1.00 11.10 C ATOM 843 O GLY A 53 -2.658 -12.660 -4.128 1.00 11.25 O ATOM 0 H GLY A 53 0.723 -11.674 -2.394 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.476 -11.035 -5.012 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.025 -12.623 -4.424 1.00 11.77 H new ATOM 847 N ARG A 54 -2.217 -11.047 -2.650 1.00 8.53 N ATOM 848 CA ARG A 54 -3.449 -11.110 -1.925 1.00 9.05 C ATOM 849 C ARG A 54 -4.230 -9.875 -2.216 1.00 8.96 C ATOM 850 O ARG A 54 -3.728 -8.778 -2.455 1.00 11.60 O ATOM 851 CB ARG A 54 -3.110 -11.227 -0.429 1.00 7.97 C ATOM 852 CG ARG A 54 -2.743 -12.671 -0.083 1.00 9.62 C ATOM 853 CD ARG A 54 -3.870 -13.705 -0.040 1.00 12.20 C ATOM 854 NE ARG A 54 -3.387 -15.056 0.363 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.213 -15.957 0.971 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.494 -15.682 1.356 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.794 -17.253 1.056 1.00 25.50 N ATOM 0 H ARG A 54 -1.621 -10.280 -2.339 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.051 -11.971 -2.217 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.280 -10.564 -0.184 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.962 -10.907 0.171 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.004 -13.011 -0.809 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.255 -12.668 0.891 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.637 -13.373 0.659 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.339 -13.768 -1.022 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.417 -15.313 0.180 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.888 -14.755 1.193 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.057 -16.403 1.806 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.888 -17.522 0.672 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.386 -17.952 1.504 1.00 25.50 H new ATOM 871 N THR A 55 -5.552 -10.097 -2.323 1.00 9.05 N ATOM 872 CA THR A 55 -6.481 -9.040 -2.578 1.00 9.03 C ATOM 873 C THR A 55 -6.749 -8.206 -1.373 1.00 8.15 C ATOM 874 O THR A 55 -6.587 -8.570 -0.209 1.00 5.91 O ATOM 875 CB THR A 55 -7.801 -9.369 -3.209 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.604 -10.224 -2.409 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.596 -10.099 -4.547 1.00 11.71 C ATOM 0 H THR A 55 -5.981 -11.018 -2.232 1.00 9.05 H new ATOM 0 HA THR A 55 -5.925 -8.500 -3.345 1.00 9.03 H new ATOM 0 HB THR A 55 -8.302 -8.410 -3.337 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.451 -10.402 -2.869 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.566 -10.329 -4.988 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.030 -9.462 -5.226 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.047 -11.025 -4.376 1.00 11.71 H new ATOM 885 N LEU A 56 -7.137 -6.935 -1.579 1.00 6.91 N ATOM 886 CA LEU A 56 -7.473 -5.969 -0.580 1.00 8.29 C ATOM 887 C LEU A 56 -8.767 -6.287 0.087 1.00 8.05 C ATOM 888 O LEU A 56 -8.874 -6.223 1.310 1.00 10.17 O ATOM 889 CB LEU A 56 -7.692 -4.599 -1.244 1.00 6.60 C ATOM 890 CG LEU A 56 -6.460 -3.936 -1.882 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.847 -2.968 -3.012 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.620 -3.167 -0.848 1.00 9.85 C ATOM 0 H LEU A 56 -7.222 -6.554 -2.521 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.655 -5.971 0.140 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.455 -4.712 -2.014 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.095 -3.918 -0.494 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.867 -4.753 -2.294 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.946 -2.523 -3.434 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.381 -3.513 -3.790 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.488 -2.182 -2.614 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.760 -2.715 -1.342 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.229 -2.386 -0.393 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.275 -3.855 -0.076 1.00 9.85 H new ATOM 904 N SER A 57 -9.715 -6.896 -0.647 1.00 8.92 N ATOM 905 CA SER A 57 -10.883 -7.445 -0.032 1.00 9.00 C ATOM 906 C SER A 57 -10.645 -8.671 0.781 1.00 9.44 C ATOM 907 O SER A 57 -11.390 -9.010 1.700 1.00 10.91 O ATOM 908 CB SER A 57 -11.993 -7.776 -1.045 1.00 10.32 C ATOM 909 OG SER A 57 -11.638 -8.802 -1.959 1.00 13.59 O ATOM 0 H SER A 57 -9.674 -7.008 -1.660 1.00 8.92 H new ATOM 0 HA SER A 57 -11.197 -6.642 0.635 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.890 -8.077 -0.504 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.245 -6.874 -1.603 1.00 10.32 H new ATOM 0 HG SER A 57 -12.384 -8.966 -2.573 1.00 13.59 H new ATOM 915 N ASP A 58 -9.499 -9.347 0.586 1.00 9.11 N ATOM 916 CA ASP A 58 -9.185 -10.517 1.344 1.00 7.91 C ATOM 917 C ASP A 58 -8.711 -10.141 2.706 1.00 9.12 C ATOM 918 O ASP A 58 -9.106 -10.670 3.745 1.00 8.61 O ATOM 919 CB ASP A 58 -8.116 -11.401 0.679 1.00 8.41 C ATOM 920 CG ASP A 58 -7.936 -12.769 1.320 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.918 -13.386 1.813 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.799 -13.313 1.304 1.00 10.05 O ATOM 0 H ASP A 58 -8.789 -9.083 -0.097 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.108 -11.094 1.401 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.378 -11.538 -0.370 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.162 -10.875 0.703 1.00 8.41 H new ATOM 927 N TYR A 59 -7.820 -9.142 2.835 1.00 7.97 N ATOM 928 CA TYR A 59 -7.352 -8.573 4.060 1.00 8.45 C ATOM 929 C TYR A 59 -8.346 -7.762 4.819 1.00 10.98 C ATOM 930 O TYR A 59 -8.142 -7.526 6.008 1.00 12.95 O ATOM 931 CB TYR A 59 -6.139 -7.653 3.843 1.00 7.94 C ATOM 932 CG TYR A 59 -4.943 -8.525 3.676 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.454 -9.291 4.708 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.216 -8.482 2.509 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.279 -9.994 4.589 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.108 -9.280 2.352 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.599 -10.020 3.394 1.00 6.76 C ATOM 938 OH TYR A 59 -1.358 -10.688 3.326 1.00 7.63 O ATOM 0 H TYR A 59 -7.395 -8.700 2.020 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.107 -9.461 4.643 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.284 -7.028 2.962 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.009 -6.982 4.692 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.007 -9.341 5.635 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.517 -7.818 1.712 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.887 -10.530 5.441 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.625 -9.327 1.387 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.411 -11.410 2.665 1.00 7.63 H new ATOM 948 N ASN A 60 -9.357 -7.188 4.143 1.00 12.38 N ATOM 949 CA ASN A 60 -10.340 -6.231 4.545 1.00 13.94 C ATOM 950 C ASN A 60 -9.903 -4.806 4.537 1.00 14.16 C ATOM 951 O ASN A 60 -10.315 -4.035 5.402 1.00 14.26 O ATOM 952 CB ASN A 60 -11.270 -6.659 5.693 1.00 19.23 C ATOM 953 CG ASN A 60 -12.640 -6.014 5.844 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.374 -6.112 4.862 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.960 -5.549 7.082 1.00 24.09 N ATOM 0 H ASN A 60 -9.500 -7.439 3.165 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.030 -6.246 3.701 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.426 -7.734 5.600 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.730 -6.495 6.626 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.909 -5.229 7.277 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.251 -5.520 7.815 1.00 24.09 H new ATOM 962 N ILE A 61 -9.190 -4.380 3.479 1.00 11.08 N ATOM 963 CA ILE A 61 -8.831 -3.006 3.313 1.00 11.78 C ATOM 964 C ILE A 61 -9.894 -2.413 2.453 1.00 13.74 C ATOM 965 O ILE A 61 -9.897 -2.483 1.225 1.00 14.60 O ATOM 966 CB ILE A 61 -7.484 -3.027 2.654 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.441 -3.801 3.477 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.042 -1.575 2.405 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.163 -4.125 2.706 1.00 11.42 C ATOM 0 H ILE A 61 -8.860 -4.993 2.733 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.764 -2.419 4.229 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.563 -3.558 1.705 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.183 -3.217 4.360 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.887 -4.731 3.829 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.063 -1.570 1.926 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.766 -1.080 1.757 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.983 -1.044 3.355 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.476 -4.671 3.353 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.407 -4.736 1.837 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.692 -3.199 2.377 1.00 11.42 H new ATOM 981 N GLN A 62 -10.887 -1.826 3.145 1.00 13.97 N ATOM 982 CA GLN A 62 -11.918 -1.149 2.421 1.00 15.52 C ATOM 983 C GLN A 62 -11.690 0.309 2.219 1.00 13.94 C ATOM 984 O GLN A 62 -10.613 0.769 2.595 1.00 12.15 O ATOM 985 CB GLN A 62 -13.207 -1.299 3.246 1.00 19.53 C ATOM 986 CG GLN A 62 -13.532 -2.723 3.705 1.00 26.38 C ATOM 987 CD GLN A 62 -14.982 -2.970 4.094 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.869 -2.176 3.784 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.162 -4.021 4.939 1.00 32.71 N ATOM 0 H GLN A 62 -10.977 -1.817 4.161 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.957 -1.596 1.428 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.131 -0.660 4.126 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.043 -0.927 2.653 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.266 -3.414 2.905 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.899 -2.965 4.559 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.382 -4.642 5.154 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.077 -4.188 5.358 1.00 32.71 H new ATOM 998 N LYS A 63 -12.658 0.999 1.589 1.00 11.73 N ATOM 999 CA LYS A 63 -12.431 2.372 1.261 1.00 11.97 C ATOM 1000 C LYS A 63 -12.064 3.288 2.377 1.00 10.41 C ATOM 1001 O LYS A 63 -12.604 3.067 3.460 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.735 2.810 0.573 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.991 3.153 1.377 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.266 3.527 0.618 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.237 4.867 -0.120 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.603 5.225 -0.562 1.00 25.97 N ATOM 0 H LYS A 63 -13.566 0.624 1.315 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.539 2.443 0.638 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.496 3.687 -0.029 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.010 2.014 -0.119 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.222 2.297 2.011 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.744 3.983 2.039 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.478 2.740 -0.106 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -17.095 3.542 1.325 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.841 5.644 0.534 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.571 4.804 -0.981 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.578 6.136 -1.063 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.965 4.489 -1.201 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.227 5.302 0.267 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.103 4.182 2.085 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.550 5.176 2.951 1.00 10.94 C ATOM 1022 C GLU A 64 -9.725 4.622 4.061 1.00 9.74 C ATOM 1023 O GLU A 64 -9.372 5.352 4.986 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.515 6.244 3.493 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.075 7.117 2.368 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.872 8.306 2.885 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.504 8.225 3.972 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.840 9.404 2.269 1.00 32.61 O ATOM 0 H GLU A 64 -10.676 4.210 1.159 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.898 5.704 2.255 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.336 5.759 4.022 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.995 6.871 4.217 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.252 7.478 1.751 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.713 6.509 1.726 1.00 24.16 H new ATOM 1035 N SER A 65 -9.363 3.328 4.023 1.00 6.85 N ATOM 1036 CA SER A 65 -8.416 2.707 4.896 1.00 6.90 C ATOM 1037 C SER A 65 -7.037 3.246 4.732 1.00 4.72 C ATOM 1038 O SER A 65 -6.536 3.423 3.623 1.00 3.91 O ATOM 1039 CB SER A 65 -8.481 1.170 4.933 1.00 7.28 C ATOM 1040 OG SER A 65 -9.790 0.685 5.188 1.00 10.56 O ATOM 0 H SER A 65 -9.755 2.677 3.342 1.00 6.85 H new ATOM 0 HA SER A 65 -8.734 2.998 5.897 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.129 0.772 3.981 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.804 0.800 5.703 1.00 7.28 H new ATOM 0 HG SER A 65 -10.263 0.559 4.339 1.00 10.56 H new ATOM 1046 N THR A 66 -6.291 3.346 5.847 1.00 4.48 N ATOM 1047 CA THR A 66 -4.977 3.910 5.856 1.00 3.80 C ATOM 1048 C THR A 66 -4.116 2.694 5.902 1.00 4.60 C ATOM 1049 O THR A 66 -4.092 1.915 6.853 1.00 5.33 O ATOM 1050 CB THR A 66 -4.768 4.728 7.096 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.500 5.944 7.078 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.317 5.239 7.076 1.00 3.40 C ATOM 0 H THR A 66 -6.608 3.028 6.763 1.00 4.48 H new ATOM 0 HA THR A 66 -4.777 4.570 5.012 1.00 3.80 H new ATOM 0 HB THR A 66 -5.052 4.094 7.936 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.332 6.439 7.907 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.130 5.840 7.966 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.633 4.391 7.060 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.158 5.849 6.187 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.318 2.489 4.840 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.258 1.529 4.797 1.00 3.85 C ATOM 1062 C LEU A 67 -0.932 2.171 5.019 1.00 3.80 C ATOM 1063 O LEU A 67 -0.620 3.232 4.482 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.174 0.861 3.414 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.404 0.168 2.804 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.325 1.161 2.076 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.899 -0.935 1.858 1.00 8.12 C ATOM 0 H LEU A 67 -3.415 3.016 3.972 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.479 0.803 5.580 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.852 1.626 2.707 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.378 0.118 3.464 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.011 -0.267 3.598 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.180 0.627 1.661 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.675 1.916 2.780 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.774 1.645 1.270 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.750 -1.446 1.408 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.287 -0.490 1.073 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.301 -1.652 2.421 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.058 1.595 5.863 1.00 2.94 N ATOM 1080 CA HIS A 68 1.064 2.324 6.368 1.00 4.17 C ATOM 1081 C HIS A 68 2.351 1.841 5.794 1.00 5.32 C ATOM 1082 O HIS A 68 2.569 0.652 6.020 1.00 7.70 O ATOM 1083 CB HIS A 68 1.144 2.209 7.900 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.086 2.672 8.623 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.296 3.881 9.255 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.246 1.972 8.740 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.548 3.803 9.781 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -2.171 2.678 9.483 1.00 16.30 N ATOM 0 H HIS A 68 -0.126 0.633 6.194 1.00 2.94 H new ATOM 0 HA HIS A 68 0.914 3.363 6.074 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.336 1.169 8.164 1.00 5.57 H new ATOM 0 HB3 HIS A 68 1.997 2.790 8.251 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.420 0.997 8.310 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.989 4.584 10.383 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -3.116 2.396 9.742 1.00 16.30 H new ATOM 1096 N LEU A 69 3.154 2.668 5.101 1.00 5.29 N ATOM 1097 CA LEU A 69 4.303 2.278 4.345 1.00 3.97 C ATOM 1098 C LEU A 69 5.509 2.424 5.208 1.00 5.07 C ATOM 1099 O LEU A 69 5.831 3.518 5.669 1.00 4.34 O ATOM 1100 CB LEU A 69 4.370 3.125 3.063 1.00 6.08 C ATOM 1101 CG LEU A 69 5.586 2.901 2.149 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.692 1.508 1.506 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.638 3.952 1.027 1.00 6.87 C ATOM 0 H LEU A 69 2.989 3.674 5.067 1.00 5.29 H new ATOM 0 HA LEU A 69 4.247 1.235 4.034 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.468 2.934 2.482 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.348 4.177 3.349 1.00 6.08 H new ATOM 0 HG LEU A 69 6.432 2.996 2.829 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.585 1.462 0.883 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.755 0.750 2.287 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.811 1.323 0.891 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.508 3.769 0.397 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.732 3.885 0.424 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.710 4.948 1.464 1.00 6.87 H new ATOM 1115 N VAL A 70 6.232 1.327 5.496 1.00 4.29 N ATOM 1116 CA VAL A 70 7.536 1.348 6.083 1.00 6.26 C ATOM 1117 C VAL A 70 8.508 0.921 5.038 1.00 9.22 C ATOM 1118 O VAL A 70 8.136 0.228 4.092 1.00 9.36 O ATOM 1119 CB VAL A 70 7.555 0.528 7.338 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.903 0.571 8.077 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.402 1.040 8.218 1.00 8.54 C ATOM 0 H VAL A 70 5.892 0.383 5.311 1.00 4.29 H new ATOM 0 HA VAL A 70 7.827 2.347 6.407 1.00 6.26 H new ATOM 0 HB VAL A 70 7.422 -0.525 7.088 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.845 -0.044 8.975 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.688 0.188 7.425 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.133 1.599 8.356 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.374 0.472 9.148 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.556 2.095 8.442 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.457 0.916 7.688 1.00 8.54 H new ATOM 1131 N LEU A 71 9.758 1.414 5.072 1.00 12.71 N ATOM 1132 CA LEU A 71 10.768 1.091 4.112 1.00 16.06 C ATOM 1133 C LEU A 71 11.701 0.020 4.565 1.00 18.09 C ATOM 1134 O LEU A 71 11.862 -0.218 5.761 1.00 19.26 O ATOM 1135 CB LEU A 71 11.340 2.447 3.668 1.00 17.10 C ATOM 1136 CG LEU A 71 10.304 3.422 3.082 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.924 4.792 2.760 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.574 2.823 1.868 1.00 17.51 C ATOM 0 H LEU A 71 10.078 2.061 5.793 1.00 12.71 H new ATOM 0 HA LEU A 71 10.390 0.586 3.223 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.821 2.921 4.524 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.116 2.272 2.923 1.00 17.10 H new ATOM 0 HG LEU A 71 9.552 3.587 3.854 1.00 19.37 H new ATOM 0 HD11 LEU A 71 10.159 5.450 2.348 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.329 5.232 3.672 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.725 4.667 2.031 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.852 3.544 1.485 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.298 2.586 1.088 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.054 1.913 2.169 1.00 17.51 H new ATOM 1150 N ARG A 72 12.276 -0.770 3.642 1.00 21.47 N ATOM 1151 CA ARG A 72 13.414 -1.604 3.876 1.00 25.83 C ATOM 1152 C ARG A 72 14.324 -1.477 2.703 1.00 27.74 C ATOM 1153 O ARG A 72 13.925 -0.996 1.643 1.00 30.65 O ATOM 1154 CB ARG A 72 13.016 -3.065 4.145 1.00 28.49 C ATOM 1155 CG ARG A 72 12.390 -3.777 2.944 1.00 31.79 C ATOM 1156 CD ARG A 72 12.054 -5.220 3.326 1.00 34.05 C ATOM 1157 NE ARG A 72 11.908 -5.999 2.064 1.00 35.08 N ATOM 1158 CZ ARG A 72 12.021 -7.359 2.030 1.00 34.67 C ATOM 1159 NH1 ARG A 72 12.223 -8.113 3.150 1.00 35.02 N ATOM 1160 NH2 ARG A 72 12.096 -7.989 0.821 1.00 34.97 N ATOM 0 H ARG A 72 11.930 -0.830 2.684 1.00 21.47 H new ATOM 0 HA ARG A 72 13.930 -1.277 4.778 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.901 -3.618 4.460 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.311 -3.090 4.976 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.488 -3.254 2.627 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.079 -3.764 2.100 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.842 -5.644 3.949 1.00 34.05 H new ATOM 0 HD3 ARG A 72 11.133 -5.257 3.908 1.00 34.05 H new ATOM 0 HE ARG A 72 11.717 -5.499 1.196 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.296 -7.662 4.062 1.00 35.02 H new ATOM 0 HH12 ARG A 72 12.301 -9.127 3.075 1.00 35.02 H new ATOM 0 HH21 ARG A 72 12.067 -7.444 -0.041 1.00 34.97 H new ATOM 0 HH22 ARG A 72 12.181 -9.005 0.780 1.00 34.97 H new ATOM 1174 N LEU A 73 15.539 -2.048 2.774 1.00 28.93 N ATOM 1175 CA LEU A 73 16.360 -2.032 1.603 1.00 30.76 C ATOM 1176 C LEU A 73 16.292 -3.283 0.797 1.00 32.18 C ATOM 1177 O LEU A 73 15.499 -3.370 -0.140 1.00 32.31 O ATOM 1178 CB LEU A 73 17.793 -1.502 1.776 1.00 30.53 C ATOM 1179 CG LEU A 73 18.141 -0.162 2.446 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.664 0.032 2.357 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.340 1.061 1.969 1.00 29.57 C ATOM 0 H LEU A 73 15.939 -2.499 3.597 1.00 28.93 H new ATOM 0 HA LEU A 73 15.882 -1.256 1.005 1.00 30.76 H new ATOM 0 HB2 LEU A 73 18.336 -2.268 2.329 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.226 -1.464 0.776 1.00 30.53 H new ATOM 0 HG LEU A 73 17.826 -0.227 3.487 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.938 0.977 2.826 1.00 29.11 H new ATOM 0 HD12 LEU A 73 20.166 -0.788 2.871 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.969 0.044 1.311 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.671 1.947 2.511 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.501 1.207 0.901 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.279 0.897 2.157 1.00 29.57 H new ATOM 1193 N ARG A 74 17.032 -4.359 1.119 1.00 33.82 N ATOM 1194 CA ARG A 74 17.162 -5.534 0.315 1.00 35.33 C ATOM 1195 C ARG A 74 16.444 -6.712 0.879 1.00 36.22 C ATOM 1196 O ARG A 74 15.752 -7.455 0.185 1.00 36.70 O ATOM 1197 CB ARG A 74 18.615 -6.021 0.193 1.00 36.91 C ATOM 1198 CG ARG A 74 18.929 -7.325 -0.542 1.00 38.62 C ATOM 1199 CD ARG A 74 18.519 -7.284 -2.016 1.00 39.75 C ATOM 1200 NE ARG A 74 19.198 -6.190 -2.766 1.00 41.13 N ATOM 1201 CZ ARG A 74 18.726 -5.454 -3.815 1.00 41.91 C ATOM 1202 NH1 ARG A 74 17.601 -5.646 -4.563 1.00 42.75 N ATOM 1203 NH2 ARG A 74 19.577 -4.454 -4.190 1.00 41.93 N ATOM 0 H ARG A 74 17.567 -4.411 1.986 1.00 33.82 H new ATOM 0 HA ARG A 74 16.748 -5.217 -0.642 1.00 35.33 H new ATOM 0 HB2 ARG A 74 19.181 -5.229 -0.297 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.010 -6.117 1.204 1.00 36.91 H new ATOM 0 HG2 ARG A 74 19.997 -7.529 -0.472 1.00 38.62 H new ATOM 0 HG3 ARG A 74 18.414 -8.149 -0.048 1.00 38.62 H new ATOM 0 HD2 ARG A 74 18.755 -8.241 -2.482 1.00 39.75 H new ATOM 0 HD3 ARG A 74 17.439 -7.153 -2.086 1.00 39.75 H new ATOM 0 HE ARG A 74 20.142 -5.960 -2.454 1.00 41.13 H new ATOM 0 HH11 ARG A 74 16.983 -6.432 -4.362 1.00 42.75 H new ATOM 0 HH12 ARG A 74 17.378 -5.004 -5.323 1.00 42.75 H new ATOM 0 HH21 ARG A 74 20.460 -4.323 -3.696 1.00 41.93 H new ATOM 0 HH22 ARG A 74 19.330 -3.838 -4.964 1.00 41.93 H new ATOM 1217 N GLY A 75 16.555 -6.900 2.206 1.00 36.31 N ATOM 1218 CA GLY A 75 15.950 -8.055 2.792 1.00 36.07 C ATOM 1219 C GLY A 75 15.838 -7.860 4.265 1.00 36.16 C ATOM 1220 O GLY A 75 16.503 -6.999 4.840 1.00 36.26 O ATOM 0 H GLY A 75 17.043 -6.280 2.852 1.00 36.31 H new ATOM 0 HA2 GLY A 75 14.963 -8.221 2.360 1.00 36.07 H new ATOM 0 HA3 GLY A 75 16.546 -8.941 2.575 1.00 36.07 H new ATOM 1224 N GLY A 76 15.082 -8.788 4.877 1.00 36.05 N ATOM 1225 CA GLY A 76 14.848 -8.809 6.288 1.00 36.19 C ATOM 1226 C GLY A 76 13.784 -9.836 6.645 1.00 36.20 C ATOM 1227 O GLY A 76 12.709 -9.413 7.149 1.00 36.13 O ATOM 1228 OXT GLY A 76 14.064 -11.059 6.528 1.00 36.27 O ATOM 0 H GLY A 76 14.619 -9.547 4.376 1.00 36.05 H new ATOM 0 HA2 GLY A 76 15.775 -9.043 6.811 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.533 -7.821 6.623 1.00 36.19 H new TER 1232 GLY A 76