USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0752 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -0.286 (180deg=-1.32!) USER MOD Single : A 8 ASN : amide:sc= -1.9 K(o=-1.9,f=-3!) USER MOD Single : A 10 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.2) USER MOD Single : A 11 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.66) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -45:sc= 0.405 USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 0.301 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.23 K(o=-2.2,f=-6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0229 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.034) USER MOD Single : A 45 ASN : amide:sc= -0.0143 K(o=-0.014,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -0.337 K(o=-0.34,f=-0.88) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= -1.79 (180deg=-4.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.233 24.647 -14.925 1.00 21.30 N ATOM 2 CA MET A 1 13.435 25.510 -15.111 1.00 21.02 C ATOM 3 C MET A 1 14.455 24.776 -15.984 1.00 20.37 C ATOM 4 O MET A 1 14.446 23.565 -16.084 1.00 20.39 O ATOM 5 CB MET A 1 14.054 25.823 -13.745 1.00 21.44 C ATOM 6 CG MET A 1 15.130 26.902 -13.900 1.00 21.88 C ATOM 7 SD MET A 1 15.831 27.297 -12.279 1.00 22.37 S ATOM 8 CE MET A 1 17.131 28.413 -12.862 1.00 22.77 C ATOM 0 H1 MET A 1 11.426 25.061 -15.434 1.00 21.30 H new ATOM 0 H2 MET A 1 12.427 23.696 -15.299 1.00 21.30 H new ATOM 0 H3 MET A 1 12.006 24.581 -13.912 1.00 21.30 H new ATOM 0 HA MET A 1 13.146 26.442 -15.597 1.00 21.02 H new ATOM 0 HB2 MET A 1 13.282 26.162 -13.054 1.00 21.44 H new ATOM 0 HB3 MET A 1 14.490 24.920 -13.317 1.00 21.44 H new ATOM 0 HG2 MET A 1 15.915 26.554 -14.572 1.00 21.88 H new ATOM 0 HG3 MET A 1 14.700 27.797 -14.349 1.00 21.88 H new ATOM 0 HE1 MET A 1 17.701 28.784 -12.010 1.00 22.77 H new ATOM 0 HE2 MET A 1 17.796 27.875 -13.537 1.00 22.77 H new ATOM 0 HE3 MET A 1 16.680 29.253 -13.390 1.00 22.77 H new ATOM 20 N LYS A 2 15.336 25.500 -16.616 1.00 19.90 N ATOM 21 CA LYS A 2 16.360 24.852 -17.481 1.00 19.38 C ATOM 22 C LYS A 2 17.209 23.895 -16.638 1.00 18.83 C ATOM 23 O LYS A 2 17.606 22.843 -17.096 1.00 18.89 O ATOM 24 CB LYS A 2 17.256 25.923 -18.109 1.00 19.49 C ATOM 25 CG LYS A 2 16.450 26.714 -19.147 1.00 19.58 C ATOM 26 CD LYS A 2 17.362 27.697 -19.898 1.00 19.81 C ATOM 27 CE LYS A 2 17.601 28.955 -19.056 1.00 19.99 C ATOM 28 NZ LYS A 2 16.292 29.593 -18.732 1.00 20.19 N ATOM 0 H LYS A 2 15.391 26.517 -16.570 1.00 19.90 H new ATOM 0 HA LYS A 2 15.864 24.291 -18.273 1.00 19.38 H new ATOM 0 HB2 LYS A 2 17.635 26.594 -17.338 1.00 19.49 H new ATOM 0 HB3 LYS A 2 18.122 25.458 -18.581 1.00 19.49 H new ATOM 0 HG2 LYS A 2 15.984 26.028 -19.854 1.00 19.58 H new ATOM 0 HG3 LYS A 2 15.645 27.259 -18.654 1.00 19.58 H new ATOM 0 HD2 LYS A 2 18.314 27.218 -20.126 1.00 19.81 H new ATOM 0 HD3 LYS A 2 16.907 27.970 -20.850 1.00 19.81 H new ATOM 0 HE2 LYS A 2 18.129 28.696 -18.138 1.00 19.99 H new ATOM 0 HE3 LYS A 2 18.234 29.655 -19.601 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 16.433 30.611 -18.570 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 15.634 29.457 -19.525 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 15.896 29.157 -17.875 1.00 20.19 H new ATOM 42 N ALA A 3 17.497 24.263 -15.415 1.00 18.43 N ATOM 43 CA ALA A 3 18.328 23.390 -14.526 1.00 18.03 C ATOM 44 C ALA A 3 17.946 21.915 -14.710 1.00 17.59 C ATOM 45 O ALA A 3 16.881 21.592 -15.198 1.00 17.73 O ATOM 46 CB ALA A 3 18.103 23.793 -13.068 1.00 18.23 C ATOM 0 H ALA A 3 17.190 25.138 -14.990 1.00 18.43 H new ATOM 0 HA ALA A 3 19.378 23.517 -14.791 1.00 18.03 H new ATOM 0 HB1 ALA A 3 18.707 23.159 -12.418 1.00 18.23 H new ATOM 0 HB2 ALA A 3 18.392 24.835 -12.930 1.00 18.23 H new ATOM 0 HB3 ALA A 3 17.049 23.673 -12.816 1.00 18.23 H new ATOM 52 N ILE A 4 18.820 21.023 -14.328 1.00 17.22 N ATOM 53 CA ILE A 4 18.536 19.567 -14.480 1.00 16.95 C ATOM 54 C ILE A 4 17.685 19.072 -13.309 1.00 16.44 C ATOM 55 O ILE A 4 17.866 19.483 -12.179 1.00 16.48 O ATOM 56 CB ILE A 4 19.857 18.798 -14.498 1.00 17.23 C ATOM 57 CG1 ILE A 4 20.696 19.257 -15.692 1.00 17.55 C ATOM 58 CG2 ILE A 4 19.577 17.299 -14.615 1.00 17.35 C ATOM 59 CD1 ILE A 4 22.134 18.763 -15.523 1.00 17.72 C ATOM 0 H ILE A 4 19.726 21.243 -13.914 1.00 17.22 H new ATOM 0 HA ILE A 4 17.994 19.404 -15.411 1.00 16.95 H new ATOM 0 HB ILE A 4 20.402 18.991 -13.574 1.00 17.23 H new ATOM 0 HG12 ILE A 4 20.273 18.869 -16.618 1.00 17.55 H new ATOM 0 HG13 ILE A 4 20.680 20.344 -15.765 1.00 17.55 H new ATOM 0 HG21 ILE A 4 20.520 16.753 -14.628 1.00 17.35 H new ATOM 0 HG22 ILE A 4 18.980 16.973 -13.763 1.00 17.35 H new ATOM 0 HG23 ILE A 4 19.031 17.102 -15.538 1.00 17.35 H new ATOM 0 HD11 ILE A 4 22.733 19.089 -16.373 1.00 17.72 H new ATOM 0 HD12 ILE A 4 22.554 19.173 -14.604 1.00 17.72 H new ATOM 0 HD13 ILE A 4 22.141 17.674 -15.471 1.00 17.72 H new ATOM 71 N PHE A 5 16.761 18.188 -13.569 1.00 16.11 N ATOM 72 CA PHE A 5 15.905 17.662 -12.470 1.00 15.78 C ATOM 73 C PHE A 5 16.793 16.983 -11.425 1.00 15.39 C ATOM 74 O PHE A 5 17.777 16.348 -11.750 1.00 15.53 O ATOM 75 CB PHE A 5 14.908 16.648 -13.036 1.00 15.91 C ATOM 76 CG PHE A 5 13.966 17.351 -13.986 1.00 16.27 C ATOM 77 CD1 PHE A 5 12.790 17.935 -13.500 1.00 16.55 C ATOM 78 CD2 PHE A 5 14.267 17.416 -15.351 1.00 16.49 C ATOM 79 CE1 PHE A 5 11.916 18.586 -14.380 1.00 17.03 C ATOM 80 CE2 PHE A 5 13.394 18.066 -16.232 1.00 16.98 C ATOM 81 CZ PHE A 5 12.218 18.651 -15.745 1.00 17.24 C ATOM 0 H PHE A 5 16.562 17.808 -14.494 1.00 16.11 H new ATOM 0 HA PHE A 5 15.356 18.482 -12.007 1.00 15.78 H new ATOM 0 HB2 PHE A 5 15.439 15.850 -13.556 1.00 15.91 H new ATOM 0 HB3 PHE A 5 14.346 16.182 -12.226 1.00 15.91 H new ATOM 0 HD1 PHE A 5 12.557 17.884 -12.447 1.00 16.55 H new ATOM 0 HD2 PHE A 5 15.174 16.964 -15.725 1.00 16.49 H new ATOM 0 HE1 PHE A 5 11.009 19.038 -14.005 1.00 17.03 H new ATOM 0 HE2 PHE A 5 13.627 18.116 -17.285 1.00 16.98 H new ATOM 0 HZ PHE A 5 11.544 19.153 -16.423 1.00 17.24 H new ATOM 91 N VAL A 6 16.461 17.123 -10.172 1.00 15.04 N ATOM 92 CA VAL A 6 17.293 16.502 -9.102 1.00 14.79 C ATOM 93 C VAL A 6 17.191 14.967 -9.194 1.00 14.55 C ATOM 94 O VAL A 6 17.060 14.415 -10.268 1.00 14.58 O ATOM 95 CB VAL A 6 16.804 17.034 -7.734 1.00 14.86 C ATOM 96 CG1 VAL A 6 15.559 16.257 -7.239 1.00 15.09 C ATOM 97 CG2 VAL A 6 17.941 16.937 -6.699 1.00 15.03 C ATOM 0 H VAL A 6 15.647 17.642 -9.841 1.00 15.04 H new ATOM 0 HA VAL A 6 18.344 16.765 -9.221 1.00 14.79 H new ATOM 0 HB VAL A 6 16.516 18.078 -7.857 1.00 14.86 H new ATOM 0 HG11 VAL A 6 15.241 16.655 -6.276 1.00 15.09 H new ATOM 0 HG12 VAL A 6 14.751 16.367 -7.962 1.00 15.09 H new ATOM 0 HG13 VAL A 6 15.808 15.201 -7.131 1.00 15.09 H new ATOM 0 HG21 VAL A 6 17.591 17.313 -5.738 1.00 15.03 H new ATOM 0 HG22 VAL A 6 18.248 15.897 -6.592 1.00 15.03 H new ATOM 0 HG23 VAL A 6 18.790 17.533 -7.034 1.00 15.03 H new ATOM 107 N LEU A 7 17.262 14.273 -8.089 1.00 14.47 N ATOM 108 CA LEU A 7 17.181 12.782 -8.129 1.00 14.40 C ATOM 109 C LEU A 7 15.838 12.374 -8.753 1.00 13.90 C ATOM 110 O LEU A 7 14.806 12.932 -8.436 1.00 13.91 O ATOM 111 CB LEU A 7 17.287 12.251 -6.681 1.00 14.97 C ATOM 112 CG LEU A 7 17.844 10.809 -6.608 1.00 15.35 C ATOM 113 CD1 LEU A 7 17.219 9.906 -7.676 1.00 15.68 C ATOM 114 CD2 LEU A 7 19.370 10.816 -6.771 1.00 15.83 C ATOM 0 H LEU A 7 17.373 14.675 -7.158 1.00 14.47 H new ATOM 0 HA LEU A 7 17.989 12.363 -8.728 1.00 14.40 H new ATOM 0 HB2 LEU A 7 17.931 12.914 -6.103 1.00 14.97 H new ATOM 0 HB3 LEU A 7 16.301 12.278 -6.216 1.00 14.97 H new ATOM 0 HG LEU A 7 17.583 10.409 -5.628 1.00 15.35 H new ATOM 0 HD11 LEU A 7 17.635 8.902 -7.593 1.00 15.68 H new ATOM 0 HD12 LEU A 7 16.139 9.864 -7.531 1.00 15.68 H new ATOM 0 HD13 LEU A 7 17.437 10.308 -8.665 1.00 15.68 H new ATOM 0 HD21 LEU A 7 19.746 9.794 -6.717 1.00 15.83 H new ATOM 0 HD22 LEU A 7 19.631 11.248 -7.737 1.00 15.83 H new ATOM 0 HD23 LEU A 7 19.818 11.410 -5.975 1.00 15.83 H new ATOM 126 N ASN A 8 15.848 11.408 -9.642 1.00 13.63 N ATOM 127 CA ASN A 8 14.580 10.953 -10.302 1.00 13.29 C ATOM 128 C ASN A 8 14.447 9.433 -10.169 1.00 12.82 C ATOM 129 O ASN A 8 15.424 8.723 -10.021 1.00 12.84 O ATOM 130 CB ASN A 8 14.621 11.319 -11.787 1.00 13.45 C ATOM 131 CG ASN A 8 14.678 12.840 -11.942 1.00 13.72 C ATOM 132 OD1 ASN A 8 15.147 13.341 -12.945 1.00 13.79 O ATOM 133 ND2 ASN A 8 14.220 13.600 -10.986 1.00 14.06 N ATOM 0 H ASN A 8 16.687 10.911 -9.941 1.00 13.63 H new ATOM 0 HA ASN A 8 13.731 11.440 -9.822 1.00 13.29 H new ATOM 0 HB2 ASN A 8 15.491 10.863 -12.260 1.00 13.45 H new ATOM 0 HB3 ASN A 8 13.740 10.925 -12.293 1.00 13.45 H new ATOM 0 HD21 ASN A 8 14.255 14.615 -11.080 1.00 14.06 H new ATOM 0 HD22 ASN A 8 13.826 13.179 -10.144 1.00 14.06 H new ATOM 140 N ALA A 9 13.242 8.928 -10.224 1.00 12.57 N ATOM 141 CA ALA A 9 13.033 7.455 -10.107 1.00 12.28 C ATOM 142 C ALA A 9 13.135 6.817 -11.494 1.00 11.84 C ATOM 143 O ALA A 9 12.753 5.681 -11.698 1.00 12.04 O ATOM 144 CB ALA A 9 11.642 7.185 -9.527 1.00 12.50 C ATOM 0 H ALA A 9 12.390 9.476 -10.346 1.00 12.57 H new ATOM 0 HA ALA A 9 13.792 7.029 -9.451 1.00 12.28 H new ATOM 0 HB1 ALA A 9 11.486 6.110 -9.440 1.00 12.50 H new ATOM 0 HB2 ALA A 9 11.564 7.644 -8.541 1.00 12.50 H new ATOM 0 HB3 ALA A 9 10.884 7.609 -10.186 1.00 12.50 H new ATOM 150 N GLN A 10 13.644 7.542 -12.453 1.00 11.42 N ATOM 151 CA GLN A 10 13.768 6.985 -13.829 1.00 11.16 C ATOM 152 C GLN A 10 14.657 5.740 -13.800 1.00 10.55 C ATOM 153 O GLN A 10 14.398 4.765 -14.475 1.00 10.61 O ATOM 154 CB GLN A 10 14.397 8.035 -14.750 1.00 11.48 C ATOM 155 CG GLN A 10 13.405 9.177 -14.984 1.00 11.97 C ATOM 156 CD GLN A 10 12.221 8.680 -15.820 1.00 12.47 C ATOM 157 OE1 GLN A 10 11.119 9.171 -15.680 1.00 12.70 O ATOM 158 NE2 GLN A 10 12.402 7.726 -16.693 1.00 12.83 N ATOM 0 H GLN A 10 13.980 8.499 -12.342 1.00 11.42 H new ATOM 0 HA GLN A 10 12.779 6.717 -14.201 1.00 11.16 H new ATOM 0 HB2 GLN A 10 15.313 8.422 -14.304 1.00 11.48 H new ATOM 0 HB3 GLN A 10 14.673 7.580 -15.701 1.00 11.48 H new ATOM 0 HG2 GLN A 10 13.050 9.562 -14.028 1.00 11.97 H new ATOM 0 HG3 GLN A 10 13.901 10.002 -15.496 1.00 11.97 H new ATOM 0 HE21 GLN A 10 13.327 7.312 -16.812 1.00 12.83 H new ATOM 0 HE22 GLN A 10 11.619 7.394 -17.256 1.00 12.83 H new ATOM 167 N HIS A 11 15.712 5.770 -13.032 1.00 10.17 N ATOM 168 CA HIS A 11 16.623 4.593 -12.974 1.00 9.77 C ATOM 169 C HIS A 11 15.811 3.315 -12.744 1.00 9.16 C ATOM 170 O HIS A 11 15.729 2.463 -13.605 1.00 9.25 O ATOM 171 CB HIS A 11 17.611 4.779 -11.820 1.00 10.00 C ATOM 172 CG HIS A 11 18.508 3.576 -11.725 1.00 10.27 C ATOM 173 ND1 HIS A 11 19.445 3.273 -12.700 1.00 10.64 N ATOM 174 CD2 HIS A 11 18.625 2.592 -10.775 1.00 10.49 C ATOM 175 CE1 HIS A 11 20.078 2.148 -12.319 1.00 11.05 C ATOM 176 NE2 HIS A 11 19.617 1.691 -11.152 1.00 10.99 N ATOM 0 H HIS A 11 15.982 6.558 -12.443 1.00 10.17 H new ATOM 0 HA HIS A 11 17.164 4.509 -13.917 1.00 9.77 H new ATOM 0 HB2 HIS A 11 18.207 5.678 -11.979 1.00 10.00 H new ATOM 0 HB3 HIS A 11 17.070 4.917 -10.884 1.00 10.00 H new ATOM 0 HD2 HIS A 11 18.037 2.527 -9.872 1.00 10.49 H new ATOM 0 HE1 HIS A 11 20.863 1.673 -12.888 1.00 11.05 H new ATOM 0 HE2 HIS A 11 19.925 0.861 -10.646 1.00 10.99 H new ATOM 184 N ASP A 12 15.210 3.174 -11.594 1.00 8.78 N ATOM 185 CA ASP A 12 14.406 1.947 -11.315 1.00 8.41 C ATOM 186 C ASP A 12 13.425 2.218 -10.173 1.00 7.70 C ATOM 187 O ASP A 12 13.442 3.268 -9.561 1.00 7.84 O ATOM 188 CB ASP A 12 15.342 0.802 -10.916 1.00 8.97 C ATOM 189 CG ASP A 12 16.145 0.342 -12.133 1.00 9.57 C ATOM 190 OD1 ASP A 12 15.545 0.152 -13.179 1.00 10.08 O ATOM 191 OD2 ASP A 12 17.348 0.179 -11.999 1.00 9.72 O ATOM 0 H ASP A 12 15.240 3.855 -10.835 1.00 8.78 H new ATOM 0 HA ASP A 12 13.850 1.672 -12.212 1.00 8.41 H new ATOM 0 HB2 ASP A 12 16.017 1.131 -10.126 1.00 8.97 H new ATOM 0 HB3 ASP A 12 14.763 -0.030 -10.515 1.00 8.97 H new ATOM 196 N GLU A 13 12.574 1.273 -9.878 1.00 7.20 N ATOM 197 CA GLU A 13 11.593 1.463 -8.771 1.00 6.75 C ATOM 198 C GLU A 13 12.269 1.116 -7.444 1.00 5.96 C ATOM 199 O GLU A 13 11.632 0.697 -6.499 1.00 6.13 O ATOM 200 CB GLU A 13 10.392 0.539 -8.989 1.00 7.22 C ATOM 201 CG GLU A 13 9.599 1.014 -10.207 1.00 7.84 C ATOM 202 CD GLU A 13 8.398 0.093 -10.427 1.00 8.59 C ATOM 203 OE1 GLU A 13 8.331 -0.929 -9.765 1.00 9.12 O ATOM 204 OE2 GLU A 13 7.564 0.428 -11.253 1.00 8.85 O ATOM 0 H GLU A 13 12.516 0.375 -10.358 1.00 7.20 H new ATOM 0 HA GLU A 13 11.252 2.498 -8.753 1.00 6.75 H new ATOM 0 HB2 GLU A 13 10.731 -0.486 -9.139 1.00 7.22 H new ATOM 0 HB3 GLU A 13 9.755 0.538 -8.105 1.00 7.22 H new ATOM 0 HG2 GLU A 13 9.261 2.039 -10.057 1.00 7.84 H new ATOM 0 HG3 GLU A 13 10.236 1.015 -11.091 1.00 7.84 H new ATOM 211 N ALA A 14 13.561 1.280 -7.374 1.00 5.44 N ATOM 212 CA ALA A 14 14.294 0.952 -6.120 1.00 4.96 C ATOM 213 C ALA A 14 13.606 1.617 -4.927 1.00 4.30 C ATOM 214 O ALA A 14 13.836 1.257 -3.789 1.00 4.43 O ATOM 215 CB ALA A 14 15.736 1.455 -6.224 1.00 5.39 C ATOM 0 H ALA A 14 14.143 1.629 -8.136 1.00 5.44 H new ATOM 0 HA ALA A 14 14.294 -0.129 -5.977 1.00 4.96 H new ATOM 0 HB1 ALA A 14 16.272 1.215 -5.306 1.00 5.39 H new ATOM 0 HB2 ALA A 14 16.229 0.974 -7.069 1.00 5.39 H new ATOM 0 HB3 ALA A 14 15.735 2.535 -6.371 1.00 5.39 H new ATOM 221 N VAL A 15 12.764 2.581 -5.173 1.00 4.01 N ATOM 222 CA VAL A 15 12.061 3.267 -4.046 1.00 3.71 C ATOM 223 C VAL A 15 10.746 2.537 -3.753 1.00 3.13 C ATOM 224 O VAL A 15 9.794 2.631 -4.500 1.00 3.40 O ATOM 225 CB VAL A 15 11.760 4.714 -4.444 1.00 4.37 C ATOM 226 CG1 VAL A 15 11.164 5.458 -3.249 1.00 5.04 C ATOM 227 CG2 VAL A 15 13.053 5.405 -4.882 1.00 4.89 C ATOM 0 H VAL A 15 12.530 2.926 -6.104 1.00 4.01 H new ATOM 0 HA VAL A 15 12.692 3.256 -3.158 1.00 3.71 H new ATOM 0 HB VAL A 15 11.048 4.722 -5.269 1.00 4.37 H new ATOM 0 HG11 VAL A 15 10.950 6.489 -3.532 1.00 5.04 H new ATOM 0 HG12 VAL A 15 10.241 4.968 -2.938 1.00 5.04 H new ATOM 0 HG13 VAL A 15 11.875 5.449 -2.423 1.00 5.04 H new ATOM 0 HG21 VAL A 15 12.837 6.435 -5.165 1.00 4.89 H new ATOM 0 HG22 VAL A 15 13.767 5.397 -4.058 1.00 4.89 H new ATOM 0 HG23 VAL A 15 13.477 4.876 -5.735 1.00 4.89 H new ATOM 237 N ASP A 16 10.690 1.810 -2.668 1.00 2.67 N ATOM 238 CA ASP A 16 9.439 1.069 -2.323 1.00 2.25 C ATOM 239 C ASP A 16 8.465 2.001 -1.593 1.00 2.00 C ATOM 240 O ASP A 16 7.269 1.788 -1.594 1.00 2.47 O ATOM 241 CB ASP A 16 9.785 -0.117 -1.420 1.00 2.31 C ATOM 242 CG ASP A 16 8.574 -1.044 -1.298 1.00 2.96 C ATOM 243 OD1 ASP A 16 7.481 -0.606 -1.617 1.00 3.45 O ATOM 244 OD2 ASP A 16 8.761 -2.179 -0.889 1.00 3.42 O ATOM 0 H ASP A 16 11.457 1.697 -2.005 1.00 2.67 H new ATOM 0 HA ASP A 16 8.970 0.709 -3.239 1.00 2.25 H new ATOM 0 HB2 ASP A 16 10.634 -0.664 -1.831 1.00 2.31 H new ATOM 0 HB3 ASP A 16 10.083 0.239 -0.434 1.00 2.31 H new ATOM 249 N ALA A 17 8.969 3.027 -0.958 1.00 1.74 N ATOM 250 CA ALA A 17 8.071 3.961 -0.217 1.00 1.64 C ATOM 251 C ALA A 17 7.064 4.588 -1.182 1.00 1.34 C ATOM 252 O ALA A 17 5.888 4.678 -0.893 1.00 1.86 O ATOM 253 CB ALA A 17 8.910 5.068 0.425 1.00 2.03 C ATOM 0 H ALA A 17 9.962 3.258 -0.921 1.00 1.74 H new ATOM 0 HA ALA A 17 7.535 3.408 0.555 1.00 1.64 H new ATOM 0 HB1 ALA A 17 8.257 5.752 0.967 1.00 2.03 H new ATOM 0 HB2 ALA A 17 9.627 4.626 1.117 1.00 2.03 H new ATOM 0 HB3 ALA A 17 9.445 5.616 -0.351 1.00 2.03 H new ATOM 259 N ASN A 18 7.512 5.025 -2.324 1.00 0.95 N ATOM 260 CA ASN A 18 6.574 5.646 -3.299 1.00 0.77 C ATOM 261 C ASN A 18 5.493 4.634 -3.690 1.00 0.65 C ATOM 262 O ASN A 18 4.330 4.966 -3.801 1.00 1.18 O ATOM 263 CB ASN A 18 7.344 6.073 -4.549 1.00 0.93 C ATOM 264 CG ASN A 18 6.377 6.710 -5.547 1.00 1.47 C ATOM 265 OD1 ASN A 18 5.993 6.089 -6.520 1.00 2.24 O ATOM 266 ND2 ASN A 18 5.963 7.930 -5.347 1.00 1.85 N ATOM 0 H ASN A 18 8.486 4.979 -2.625 1.00 0.95 H new ATOM 0 HA ASN A 18 6.107 6.518 -2.842 1.00 0.77 H new ATOM 0 HB2 ASN A 18 8.128 6.782 -4.282 1.00 0.93 H new ATOM 0 HB3 ASN A 18 7.834 5.210 -5.000 1.00 0.93 H new ATOM 0 HD21 ASN A 18 5.317 8.364 -6.006 1.00 1.85 H new ATOM 0 HD22 ASN A 18 6.285 8.451 -4.531 1.00 1.85 H new ATOM 273 N SER A 19 5.871 3.403 -3.907 1.00 0.49 N ATOM 274 CA SER A 19 4.866 2.373 -4.302 1.00 0.33 C ATOM 275 C SER A 19 3.907 2.103 -3.142 1.00 0.29 C ATOM 276 O SER A 19 2.715 1.962 -3.332 1.00 0.28 O ATOM 277 CB SER A 19 5.589 1.080 -4.670 1.00 0.41 C ATOM 278 OG SER A 19 6.187 0.529 -3.504 1.00 0.80 O ATOM 0 H SER A 19 6.830 3.066 -3.828 1.00 0.49 H new ATOM 0 HA SER A 19 4.297 2.738 -5.157 1.00 0.33 H new ATOM 0 HB2 SER A 19 4.887 0.368 -5.104 1.00 0.41 H new ATOM 0 HB3 SER A 19 6.350 1.277 -5.425 1.00 0.41 H new ATOM 0 HG SER A 19 6.637 1.239 -3.000 1.00 0.80 H new ATOM 284 N LEU A 20 4.409 2.030 -1.941 1.00 0.31 N ATOM 285 CA LEU A 20 3.511 1.772 -0.782 1.00 0.32 C ATOM 286 C LEU A 20 2.481 2.897 -0.682 1.00 0.25 C ATOM 287 O LEU A 20 1.301 2.659 -0.539 1.00 0.23 O ATOM 288 CB LEU A 20 4.341 1.710 0.510 1.00 0.41 C ATOM 289 CG LEU A 20 5.093 0.361 0.596 1.00 0.45 C ATOM 290 CD1 LEU A 20 6.358 0.522 1.444 1.00 0.99 C ATOM 291 CD2 LEU A 20 4.194 -0.701 1.250 1.00 1.09 C ATOM 0 H LEU A 20 5.397 2.137 -1.713 1.00 0.31 H new ATOM 0 HA LEU A 20 2.997 0.821 -0.922 1.00 0.32 H new ATOM 0 HB2 LEU A 20 5.054 2.534 0.533 1.00 0.41 H new ATOM 0 HB3 LEU A 20 3.689 1.828 1.376 1.00 0.41 H new ATOM 0 HG LEU A 20 5.361 0.048 -0.413 1.00 0.45 H new ATOM 0 HD11 LEU A 20 6.882 -0.432 1.500 1.00 0.99 H new ATOM 0 HD12 LEU A 20 7.009 1.268 0.988 1.00 0.99 H new ATOM 0 HD13 LEU A 20 6.084 0.845 2.448 1.00 0.99 H new ATOM 0 HD21 LEU A 20 4.731 -1.648 1.307 1.00 1.09 H new ATOM 0 HD22 LEU A 20 3.921 -0.378 2.255 1.00 1.09 H new ATOM 0 HD23 LEU A 20 3.291 -0.831 0.653 1.00 1.09 H new ATOM 303 N ALA A 21 2.918 4.122 -0.755 1.00 0.24 N ATOM 304 CA ALA A 21 1.965 5.255 -0.660 1.00 0.22 C ATOM 305 C ALA A 21 0.944 5.186 -1.799 1.00 0.18 C ATOM 306 O ALA A 21 -0.246 5.291 -1.583 1.00 0.19 O ATOM 307 CB ALA A 21 2.734 6.578 -0.738 1.00 0.27 C ATOM 0 H ALA A 21 3.896 4.385 -0.877 1.00 0.24 H new ATOM 0 HA ALA A 21 1.436 5.194 0.291 1.00 0.22 H new ATOM 0 HB1 ALA A 21 2.034 7.410 -0.668 1.00 0.27 H new ATOM 0 HB2 ALA A 21 3.447 6.634 0.085 1.00 0.27 H new ATOM 0 HB3 ALA A 21 3.269 6.632 -1.686 1.00 0.27 H new ATOM 313 N GLU A 22 1.395 5.024 -3.013 1.00 0.18 N ATOM 314 CA GLU A 22 0.442 4.969 -4.156 1.00 0.19 C ATOM 315 C GLU A 22 -0.491 3.766 -4.006 1.00 0.18 C ATOM 316 O GLU A 22 -1.675 3.854 -4.262 1.00 0.21 O ATOM 317 CB GLU A 22 1.226 4.850 -5.463 1.00 0.24 C ATOM 318 CG GLU A 22 0.279 5.029 -6.650 1.00 0.50 C ATOM 319 CD GLU A 22 1.077 4.945 -7.952 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.294 4.947 -7.878 1.00 1.15 O ATOM 321 OE2 GLU A 22 0.458 4.884 -9.001 1.00 1.27 O ATOM 0 H GLU A 22 2.380 4.928 -3.262 1.00 0.18 H new ATOM 0 HA GLU A 22 -0.156 5.880 -4.168 1.00 0.19 H new ATOM 0 HB2 GLU A 22 2.013 5.604 -5.496 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.714 3.877 -5.518 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.493 4.260 -6.633 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.229 5.991 -6.583 1.00 0.50 H new ATOM 328 N ALA A 23 0.027 2.642 -3.593 1.00 0.18 N ATOM 329 CA ALA A 23 -0.843 1.445 -3.430 1.00 0.19 C ATOM 330 C ALA A 23 -1.935 1.756 -2.411 1.00 0.15 C ATOM 331 O ALA A 23 -3.088 1.421 -2.598 1.00 0.16 O ATOM 332 CB ALA A 23 -0.006 0.264 -2.937 1.00 0.23 C ATOM 0 H ALA A 23 1.011 2.502 -3.362 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.295 1.189 -4.388 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -0.645 -0.611 -2.819 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.777 0.045 -3.663 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.447 0.515 -1.978 1.00 0.23 H new ATOM 338 N LYS A 24 -1.583 2.399 -1.331 1.00 0.15 N ATOM 339 CA LYS A 24 -2.604 2.734 -0.303 1.00 0.18 C ATOM 340 C LYS A 24 -3.540 3.811 -0.856 1.00 0.19 C ATOM 341 O LYS A 24 -4.735 3.777 -0.646 1.00 0.26 O ATOM 342 CB LYS A 24 -1.899 3.262 0.947 1.00 0.22 C ATOM 343 CG LYS A 24 -1.069 2.144 1.584 1.00 0.21 C ATOM 344 CD LYS A 24 -0.371 2.688 2.833 1.00 0.27 C ATOM 345 CE LYS A 24 0.605 1.644 3.380 1.00 0.53 C ATOM 346 NZ LYS A 24 1.169 2.126 4.673 1.00 1.23 N ATOM 0 H LYS A 24 -0.634 2.706 -1.118 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.182 1.845 -0.049 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.255 4.102 0.686 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.634 3.634 1.661 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -1.710 1.303 1.848 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.331 1.772 0.873 1.00 0.21 H new ATOM 0 HD2 LYS A 24 0.163 3.607 2.591 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.111 2.941 3.593 1.00 0.27 H new ATOM 0 HE2 LYS A 24 0.094 0.692 3.525 1.00 0.53 H new ATOM 0 HE3 LYS A 24 1.407 1.469 2.663 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 1.220 1.335 5.346 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 2.123 2.508 4.515 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.558 2.872 5.062 1.00 1.23 H new ATOM 360 N VAL A 25 -3.001 4.770 -1.563 1.00 0.19 N ATOM 361 CA VAL A 25 -3.859 5.849 -2.130 1.00 0.23 C ATOM 362 C VAL A 25 -4.810 5.252 -3.173 1.00 0.24 C ATOM 363 O VAL A 25 -5.988 5.545 -3.191 1.00 0.27 O ATOM 364 CB VAL A 25 -2.970 6.917 -2.780 1.00 0.27 C ATOM 365 CG1 VAL A 25 -3.829 7.901 -3.581 1.00 0.34 C ATOM 366 CG2 VAL A 25 -2.214 7.677 -1.688 1.00 0.29 C ATOM 0 H VAL A 25 -2.006 4.852 -1.771 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.446 6.308 -1.335 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.263 6.432 -3.453 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -3.188 8.655 -4.038 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.368 7.362 -4.360 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.542 8.387 -2.915 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.581 8.437 -2.146 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -2.928 8.155 -1.017 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.594 6.981 -1.123 1.00 0.29 H new ATOM 376 N LEU A 26 -4.306 4.420 -4.044 1.00 0.22 N ATOM 377 CA LEU A 26 -5.182 3.811 -5.086 1.00 0.25 C ATOM 378 C LEU A 26 -6.231 2.911 -4.427 1.00 0.23 C ATOM 379 O LEU A 26 -7.378 2.887 -4.829 1.00 0.28 O ATOM 380 CB LEU A 26 -4.330 2.974 -6.047 1.00 0.26 C ATOM 381 CG LEU A 26 -3.446 3.886 -6.908 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.520 3.016 -7.767 1.00 0.73 C ATOM 383 CD2 LEU A 26 -4.317 4.783 -7.816 1.00 0.78 C ATOM 0 H LEU A 26 -3.327 4.136 -4.079 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.684 4.606 -5.637 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.707 2.281 -5.482 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -4.976 2.373 -6.687 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.852 4.529 -6.259 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -1.888 3.656 -8.383 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -1.894 2.402 -7.120 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -3.119 2.371 -8.410 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.674 5.423 -8.420 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -4.924 4.158 -8.471 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -4.969 5.402 -7.199 1.00 0.78 H new ATOM 395 N ALA A 27 -5.853 2.172 -3.422 1.00 0.18 N ATOM 396 CA ALA A 27 -6.836 1.278 -2.747 1.00 0.18 C ATOM 397 C ALA A 27 -7.879 2.127 -2.019 1.00 0.16 C ATOM 398 O ALA A 27 -9.054 1.817 -2.011 1.00 0.19 O ATOM 399 CB ALA A 27 -6.111 0.380 -1.742 1.00 0.20 C ATOM 0 H ALA A 27 -4.908 2.148 -3.039 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.331 0.655 -3.492 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.833 -0.272 -1.250 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.370 -0.226 -2.264 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.613 0.998 -0.995 1.00 0.20 H new ATOM 405 N ASN A 28 -7.456 3.196 -1.404 1.00 0.15 N ATOM 406 CA ASN A 28 -8.415 4.070 -0.672 1.00 0.14 C ATOM 407 C ASN A 28 -9.469 4.601 -1.647 1.00 0.15 C ATOM 408 O ASN A 28 -10.632 4.716 -1.319 1.00 0.18 O ATOM 409 CB ASN A 28 -7.661 5.244 -0.049 1.00 0.15 C ATOM 410 CG ASN A 28 -8.614 6.044 0.840 1.00 0.17 C ATOM 411 OD1 ASN A 28 -9.770 6.219 0.508 1.00 0.22 O ATOM 412 ND2 ASN A 28 -8.176 6.534 1.967 1.00 0.22 N ATOM 0 H ASN A 28 -6.484 3.503 -1.377 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.904 3.494 0.113 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.818 4.879 0.538 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -7.252 5.884 -0.831 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -8.804 7.065 2.571 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -7.206 6.386 2.244 1.00 0.22 H new ATOM 419 N ARG A 29 -9.064 4.933 -2.842 1.00 0.18 N ATOM 420 CA ARG A 29 -10.031 5.469 -3.844 1.00 0.22 C ATOM 421 C ARG A 29 -11.130 4.437 -4.111 1.00 0.19 C ATOM 422 O ARG A 29 -12.287 4.777 -4.255 1.00 0.21 O ATOM 423 CB ARG A 29 -9.293 5.773 -5.151 1.00 0.31 C ATOM 424 CG ARG A 29 -8.359 6.985 -4.976 1.00 1.18 C ATOM 425 CD ARG A 29 -9.146 8.306 -5.027 1.00 1.46 C ATOM 426 NE ARG A 29 -10.104 8.306 -6.184 1.00 2.22 N ATOM 427 CZ ARG A 29 -9.701 8.099 -7.410 1.00 2.79 C ATOM 428 NH1 ARG A 29 -8.429 8.070 -7.695 1.00 2.95 N ATOM 429 NH2 ARG A 29 -10.580 7.974 -8.367 1.00 3.73 N ATOM 0 H ARG A 29 -8.101 4.856 -3.170 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.482 6.382 -3.454 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -8.714 4.902 -5.459 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -10.014 5.974 -5.944 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -7.834 6.908 -4.024 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -7.601 6.980 -5.760 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -9.693 8.446 -4.095 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -8.455 9.144 -5.120 1.00 1.46 H new ATOM 0 HE ARG A 29 -11.095 8.472 -6.008 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -7.738 8.210 -6.958 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -8.125 7.908 -8.655 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -11.576 8.038 -8.156 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -10.271 7.812 -9.325 1.00 3.73 H new ATOM 443 N GLU A 30 -10.785 3.181 -4.187 1.00 0.21 N ATOM 444 CA GLU A 30 -11.824 2.144 -4.453 1.00 0.28 C ATOM 445 C GLU A 30 -12.874 2.175 -3.344 1.00 0.27 C ATOM 446 O GLU A 30 -14.056 2.044 -3.592 1.00 0.33 O ATOM 447 CB GLU A 30 -11.164 0.762 -4.490 1.00 0.37 C ATOM 448 CG GLU A 30 -10.433 0.580 -5.818 1.00 0.60 C ATOM 449 CD GLU A 30 -9.748 -0.787 -5.841 1.00 0.64 C ATOM 450 OE1 GLU A 30 -9.705 -1.424 -4.802 1.00 1.33 O ATOM 451 OE2 GLU A 30 -9.275 -1.173 -6.897 1.00 1.39 O ATOM 0 H GLU A 30 -9.834 2.828 -4.077 1.00 0.21 H new ATOM 0 HA GLU A 30 -12.303 2.347 -5.411 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -10.464 0.660 -3.661 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -11.918 -0.016 -4.369 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -11.137 0.660 -6.646 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -9.695 1.371 -5.950 1.00 0.60 H new ATOM 458 N LEU A 31 -12.453 2.351 -2.128 1.00 0.23 N ATOM 459 CA LEU A 31 -13.426 2.395 -1.003 1.00 0.28 C ATOM 460 C LEU A 31 -14.276 3.651 -1.146 1.00 0.32 C ATOM 461 O LEU A 31 -15.475 3.642 -0.949 1.00 0.43 O ATOM 462 CB LEU A 31 -12.655 2.466 0.314 1.00 0.26 C ATOM 463 CG LEU A 31 -11.572 1.391 0.309 1.00 0.25 C ATOM 464 CD1 LEU A 31 -10.826 1.401 1.648 1.00 0.27 C ATOM 465 CD2 LEU A 31 -12.212 0.014 0.072 1.00 0.33 C ATOM 0 H LEU A 31 -11.475 2.467 -1.861 1.00 0.23 H new ATOM 0 HA LEU A 31 -14.059 1.508 -1.016 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.207 3.452 0.436 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.331 2.316 1.156 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.863 1.596 -0.493 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.054 0.632 1.640 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.365 2.377 1.800 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.528 1.201 2.457 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -11.437 -0.752 0.069 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -12.927 -0.197 0.867 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.727 0.013 -0.889 1.00 0.33 H new ATOM 477 N ASP A 32 -13.643 4.734 -1.482 1.00 0.28 N ATOM 478 CA ASP A 32 -14.364 6.019 -1.643 1.00 0.35 C ATOM 479 C ASP A 32 -15.433 5.894 -2.735 1.00 0.42 C ATOM 480 O ASP A 32 -16.540 6.371 -2.583 1.00 0.54 O ATOM 481 CB ASP A 32 -13.344 7.090 -2.023 1.00 0.38 C ATOM 482 CG ASP A 32 -14.041 8.444 -2.196 1.00 0.54 C ATOM 483 OD1 ASP A 32 -15.255 8.457 -2.314 1.00 1.14 O ATOM 484 OD2 ASP A 32 -13.346 9.447 -2.200 1.00 1.12 O ATOM 0 H ASP A 32 -12.639 4.783 -1.655 1.00 0.28 H new ATOM 0 HA ASP A 32 -14.863 6.289 -0.712 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -12.577 7.163 -1.252 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -12.840 6.811 -2.948 1.00 0.38 H new ATOM 489 N LYS A 33 -15.116 5.268 -3.840 1.00 0.38 N ATOM 490 CA LYS A 33 -16.128 5.138 -4.928 1.00 0.46 C ATOM 491 C LYS A 33 -17.275 4.243 -4.453 1.00 0.42 C ATOM 492 O LYS A 33 -18.431 4.507 -4.720 1.00 0.46 O ATOM 493 CB LYS A 33 -15.477 4.515 -6.168 1.00 0.58 C ATOM 494 CG LYS A 33 -14.501 5.518 -6.789 1.00 0.74 C ATOM 495 CD LYS A 33 -13.987 4.985 -8.132 1.00 1.34 C ATOM 496 CE LYS A 33 -13.071 3.776 -7.907 1.00 1.16 C ATOM 497 NZ LYS A 33 -12.243 3.547 -9.125 1.00 1.78 N ATOM 0 H LYS A 33 -14.208 4.845 -4.034 1.00 0.38 H new ATOM 0 HA LYS A 33 -16.514 6.126 -5.180 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -14.951 3.600 -5.895 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -16.242 4.238 -6.894 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -14.996 6.478 -6.935 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -13.664 5.691 -6.112 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -14.828 4.700 -8.764 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -13.443 5.769 -8.659 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -12.428 3.949 -7.044 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -13.667 2.890 -7.688 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -11.621 2.727 -8.973 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -12.865 3.364 -9.938 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -11.664 4.390 -9.315 1.00 1.78 H new ATOM 511 N TYR A 34 -16.967 3.193 -3.743 1.00 0.36 N ATOM 512 CA TYR A 34 -18.041 2.290 -3.245 1.00 0.37 C ATOM 513 C TYR A 34 -18.834 3.015 -2.155 1.00 0.33 C ATOM 514 O TYR A 34 -20.040 2.893 -2.065 1.00 0.55 O ATOM 515 CB TYR A 34 -17.423 1.010 -2.668 1.00 0.40 C ATOM 516 CG TYR A 34 -16.349 0.438 -3.587 1.00 0.59 C ATOM 517 CD1 TYR A 34 -16.369 0.655 -4.981 1.00 1.10 C ATOM 518 CD2 TYR A 34 -15.323 -0.334 -3.026 1.00 1.03 C ATOM 519 CE1 TYR A 34 -15.369 0.101 -5.789 1.00 1.25 C ATOM 520 CE2 TYR A 34 -14.328 -0.887 -3.840 1.00 1.16 C ATOM 521 CZ TYR A 34 -14.351 -0.670 -5.220 1.00 0.99 C ATOM 522 OH TYR A 34 -13.370 -1.219 -6.018 1.00 1.20 O ATOM 0 H TYR A 34 -16.018 2.922 -3.486 1.00 0.36 H new ATOM 0 HA TYR A 34 -18.703 2.022 -4.068 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -16.990 1.224 -1.691 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.204 0.266 -2.514 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -17.155 1.248 -5.424 1.00 1.10 H new ATOM 0 HD2 TYR A 34 -15.300 -0.503 -1.960 1.00 1.03 H new ATOM 0 HE1 TYR A 34 -15.384 0.270 -6.856 1.00 1.25 H new ATOM 0 HE2 TYR A 34 -13.541 -1.482 -3.401 1.00 1.16 H new ATOM 0 HH TYR A 34 -12.740 -1.724 -5.462 1.00 1.20 H new ATOM 532 N GLY A 35 -18.166 3.773 -1.324 1.00 0.24 N ATOM 533 CA GLY A 35 -18.878 4.514 -0.237 1.00 0.31 C ATOM 534 C GLY A 35 -18.855 3.694 1.055 1.00 0.31 C ATOM 535 O GLY A 35 -19.782 3.730 1.840 1.00 0.36 O ATOM 0 H GLY A 35 -17.156 3.912 -1.351 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.403 5.481 -0.073 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -19.908 4.712 -0.534 1.00 0.31 H new ATOM 539 N VAL A 36 -17.802 2.960 1.286 1.00 0.33 N ATOM 540 CA VAL A 36 -17.722 2.145 2.534 1.00 0.38 C ATOM 541 C VAL A 36 -17.438 3.084 3.717 1.00 0.42 C ATOM 542 O VAL A 36 -17.307 4.280 3.550 1.00 0.45 O ATOM 543 CB VAL A 36 -16.592 1.099 2.395 1.00 0.41 C ATOM 544 CG1 VAL A 36 -16.912 -0.152 3.227 1.00 0.71 C ATOM 545 CG2 VAL A 36 -16.447 0.697 0.924 1.00 0.66 C ATOM 0 H VAL A 36 -16.994 2.888 0.667 1.00 0.33 H new ATOM 0 HA VAL A 36 -18.662 1.621 2.704 1.00 0.38 H new ATOM 0 HB VAL A 36 -15.663 1.539 2.757 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -16.106 -0.878 3.117 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -17.011 0.125 4.277 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.846 -0.592 2.878 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -15.650 -0.040 0.825 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -17.384 0.268 0.570 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -16.203 1.577 0.329 1.00 0.66 H new ATOM 555 N SER A 37 -17.350 2.556 4.908 1.00 0.55 N ATOM 556 CA SER A 37 -17.084 3.423 6.094 1.00 0.64 C ATOM 557 C SER A 37 -15.647 3.952 6.042 1.00 0.50 C ATOM 558 O SER A 37 -14.759 3.319 5.506 1.00 0.93 O ATOM 559 CB SER A 37 -17.278 2.611 7.374 1.00 0.96 C ATOM 560 OG SER A 37 -17.023 3.442 8.499 1.00 1.56 O ATOM 0 H SER A 37 -17.451 1.562 5.112 1.00 0.55 H new ATOM 0 HA SER A 37 -17.778 4.264 6.084 1.00 0.64 H new ATOM 0 HB2 SER A 37 -18.294 2.219 7.419 1.00 0.96 H new ATOM 0 HB3 SER A 37 -16.605 1.754 7.380 1.00 0.96 H new ATOM 0 HG SER A 37 -17.148 2.925 9.322 1.00 1.56 H new ATOM 566 N ASP A 38 -15.420 5.113 6.595 1.00 0.43 N ATOM 567 CA ASP A 38 -14.049 5.700 6.585 1.00 0.37 C ATOM 568 C ASP A 38 -13.103 4.819 7.405 1.00 0.54 C ATOM 569 O ASP A 38 -11.898 4.913 7.289 1.00 1.41 O ATOM 570 CB ASP A 38 -14.091 7.104 7.193 1.00 0.53 C ATOM 571 CG ASP A 38 -12.768 7.821 6.918 1.00 1.52 C ATOM 572 OD1 ASP A 38 -11.830 7.157 6.509 1.00 2.16 O ATOM 573 OD2 ASP A 38 -12.716 9.024 7.118 1.00 2.35 O ATOM 0 H ASP A 38 -16.129 5.683 7.056 1.00 0.43 H new ATOM 0 HA ASP A 38 -13.690 5.757 5.558 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -14.919 7.671 6.768 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -14.266 7.041 8.267 1.00 0.53 H new ATOM 578 N TYR A 39 -13.638 3.971 8.239 1.00 0.42 N ATOM 579 CA TYR A 39 -12.765 3.096 9.072 1.00 0.33 C ATOM 580 C TYR A 39 -11.893 2.219 8.167 1.00 0.25 C ATOM 581 O TYR A 39 -10.705 2.082 8.385 1.00 0.26 O ATOM 582 CB TYR A 39 -13.635 2.198 9.956 1.00 0.44 C ATOM 583 CG TYR A 39 -12.753 1.205 10.676 1.00 0.57 C ATOM 584 CD1 TYR A 39 -12.479 -0.031 10.082 1.00 1.35 C ATOM 585 CD2 TYR A 39 -12.204 1.521 11.923 1.00 1.19 C ATOM 586 CE1 TYR A 39 -11.655 -0.953 10.731 1.00 1.51 C ATOM 587 CE2 TYR A 39 -11.379 0.596 12.577 1.00 1.30 C ATOM 588 CZ TYR A 39 -11.104 -0.641 11.980 1.00 1.02 C ATOM 589 OH TYR A 39 -10.289 -1.550 12.621 1.00 1.27 O ATOM 0 H TYR A 39 -14.640 3.846 8.380 1.00 0.42 H new ATOM 0 HA TYR A 39 -12.126 3.720 9.697 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -14.187 2.802 10.677 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -14.372 1.674 9.348 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -12.905 -0.273 9.120 1.00 1.35 H new ATOM 0 HD2 TYR A 39 -12.415 2.476 12.381 1.00 1.19 H new ATOM 0 HE1 TYR A 39 -11.443 -1.906 10.270 1.00 1.51 H new ATOM 0 HE2 TYR A 39 -10.955 0.837 13.541 1.00 1.30 H new ATOM 0 HH TYR A 39 -9.990 -1.176 13.476 1.00 1.27 H new ATOM 599 N TYR A 40 -12.465 1.611 7.167 1.00 0.25 N ATOM 600 CA TYR A 40 -11.652 0.738 6.276 1.00 0.23 C ATOM 601 C TYR A 40 -10.537 1.558 5.626 1.00 0.19 C ATOM 602 O TYR A 40 -9.421 1.101 5.507 1.00 0.19 O ATOM 603 CB TYR A 40 -12.539 0.145 5.179 1.00 0.29 C ATOM 604 CG TYR A 40 -13.522 -0.824 5.787 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.151 -2.157 6.003 1.00 0.66 C ATOM 606 CD2 TYR A 40 -14.806 -0.391 6.135 1.00 0.80 C ATOM 607 CE1 TYR A 40 -14.064 -3.056 6.565 1.00 0.76 C ATOM 608 CE2 TYR A 40 -15.720 -1.290 6.697 1.00 0.94 C ATOM 609 CZ TYR A 40 -15.349 -2.623 6.911 1.00 0.70 C ATOM 610 OH TYR A 40 -16.250 -3.509 7.465 1.00 0.93 O ATOM 0 H TYR A 40 -13.454 1.680 6.928 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.218 -0.066 6.871 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -13.073 0.941 4.660 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -11.924 -0.364 4.437 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.159 -2.491 5.736 1.00 0.66 H new ATOM 0 HD2 TYR A 40 -15.092 0.637 5.970 1.00 0.80 H new ATOM 0 HE1 TYR A 40 -13.777 -4.084 6.732 1.00 0.76 H new ATOM 0 HE2 TYR A 40 -16.711 -0.955 6.965 1.00 0.94 H new ATOM 0 HH TYR A 40 -17.094 -3.046 7.647 1.00 0.93 H new ATOM 620 N LYS A 41 -10.819 2.767 5.216 1.00 0.18 N ATOM 621 CA LYS A 41 -9.759 3.599 4.585 1.00 0.17 C ATOM 622 C LYS A 41 -8.677 3.821 5.620 1.00 0.16 C ATOM 623 O LYS A 41 -7.497 3.716 5.352 1.00 0.17 O ATOM 624 CB LYS A 41 -10.347 4.951 4.195 1.00 0.22 C ATOM 625 CG LYS A 41 -11.488 4.731 3.207 1.00 0.79 C ATOM 626 CD LYS A 41 -12.173 6.070 2.886 1.00 1.17 C ATOM 627 CE LYS A 41 -13.621 5.808 2.477 1.00 1.68 C ATOM 628 NZ LYS A 41 -14.286 7.094 2.129 1.00 2.14 N ATOM 0 H LYS A 41 -11.734 3.211 5.291 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.360 3.106 3.698 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -10.711 5.472 5.080 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -9.578 5.581 3.748 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -11.105 4.281 2.291 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -12.213 4.034 3.626 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -12.141 6.726 3.756 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -11.642 6.580 2.082 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -13.651 5.130 1.624 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -14.156 5.320 3.291 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -15.271 6.911 1.851 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -14.271 7.727 2.954 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -13.781 7.543 1.338 1.00 2.14 H new ATOM 642 N ASN A 42 -9.090 4.121 6.813 1.00 0.19 N ATOM 643 CA ASN A 42 -8.107 4.343 7.899 1.00 0.21 C ATOM 644 C ASN A 42 -7.296 3.063 8.087 1.00 0.18 C ATOM 645 O ASN A 42 -6.098 3.095 8.291 1.00 0.19 O ATOM 646 CB ASN A 42 -8.838 4.695 9.196 1.00 0.25 C ATOM 647 CG ASN A 42 -9.454 6.090 9.072 1.00 0.32 C ATOM 648 OD1 ASN A 42 -10.156 6.538 9.956 1.00 1.12 O ATOM 649 ND2 ASN A 42 -9.224 6.800 8.000 1.00 1.16 N ATOM 0 H ASN A 42 -10.068 4.222 7.084 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.443 5.168 7.640 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.616 3.959 9.399 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -8.144 4.665 10.036 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -9.634 7.729 7.906 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -8.635 6.425 7.257 1.00 1.16 H new ATOM 656 N LEU A 43 -7.944 1.932 8.008 1.00 0.16 N ATOM 657 CA LEU A 43 -7.219 0.644 8.170 1.00 0.16 C ATOM 658 C LEU A 43 -6.145 0.538 7.085 1.00 0.14 C ATOM 659 O LEU A 43 -5.045 0.084 7.334 1.00 0.17 O ATOM 660 CB LEU A 43 -8.205 -0.526 8.063 1.00 0.17 C ATOM 661 CG LEU A 43 -7.463 -1.865 8.229 1.00 0.20 C ATOM 662 CD1 LEU A 43 -6.759 -1.921 9.598 1.00 0.63 C ATOM 663 CD2 LEU A 43 -8.479 -3.011 8.133 1.00 0.63 C ATOM 0 H LEU A 43 -8.946 1.847 7.838 1.00 0.16 H new ATOM 0 HA LEU A 43 -6.745 0.606 9.151 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -8.976 -0.432 8.828 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -8.709 -0.499 7.097 1.00 0.17 H new ATOM 0 HG LEU A 43 -6.712 -1.959 7.444 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -6.239 -2.873 9.701 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.040 -1.105 9.671 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -7.499 -1.824 10.392 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -7.964 -3.965 8.249 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -9.225 -2.903 8.921 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -8.971 -2.981 7.161 1.00 0.63 H new ATOM 675 N ILE A 44 -6.445 0.958 5.882 1.00 0.13 N ATOM 676 CA ILE A 44 -5.423 0.877 4.799 1.00 0.13 C ATOM 677 C ILE A 44 -4.214 1.710 5.220 1.00 0.14 C ATOM 678 O ILE A 44 -3.079 1.333 5.007 1.00 0.15 O ATOM 679 CB ILE A 44 -5.975 1.463 3.489 1.00 0.16 C ATOM 680 CG1 ILE A 44 -7.224 0.702 3.015 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.898 1.376 2.408 1.00 0.14 C ATOM 682 CD1 ILE A 44 -6.964 -0.806 2.982 1.00 0.38 C ATOM 0 H ILE A 44 -7.345 1.350 5.606 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.154 -0.167 4.639 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.254 2.501 3.671 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -8.060 0.917 3.681 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.510 1.048 2.022 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.283 1.790 1.476 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -4.021 1.942 2.722 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.620 0.333 2.254 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -7.862 -1.323 2.644 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -6.143 -1.019 2.297 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -6.701 -1.152 3.982 1.00 0.38 H new ATOM 694 N ASN A 45 -4.449 2.845 5.818 1.00 0.15 N ATOM 695 CA ASN A 45 -3.318 3.708 6.255 1.00 0.19 C ATOM 696 C ASN A 45 -2.372 2.902 7.149 1.00 0.20 C ATOM 697 O ASN A 45 -1.181 3.143 7.184 1.00 0.28 O ATOM 698 CB ASN A 45 -3.866 4.902 7.042 1.00 0.22 C ATOM 699 CG ASN A 45 -2.747 5.919 7.272 1.00 0.65 C ATOM 700 OD1 ASN A 45 -1.724 5.872 6.618 1.00 1.46 O ATOM 701 ND2 ASN A 45 -2.898 6.845 8.180 1.00 0.94 N ATOM 0 H ASN A 45 -5.378 3.212 6.023 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.774 4.063 5.380 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.687 5.366 6.495 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -4.269 4.567 7.998 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -2.158 7.528 8.340 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -3.756 6.885 8.729 1.00 0.94 H new ATOM 708 N ASN A 46 -2.890 1.950 7.884 1.00 0.17 N ATOM 709 CA ASN A 46 -2.018 1.137 8.787 1.00 0.22 C ATOM 710 C ASN A 46 -1.526 -0.125 8.068 1.00 0.24 C ATOM 711 O ASN A 46 -0.837 -0.942 8.647 1.00 0.27 O ATOM 712 CB ASN A 46 -2.806 0.731 10.034 1.00 0.24 C ATOM 713 CG ASN A 46 -1.852 0.092 11.045 1.00 0.41 C ATOM 714 OD1 ASN A 46 -0.777 0.605 11.289 1.00 1.10 O ATOM 715 ND2 ASN A 46 -2.199 -1.013 11.646 1.00 1.22 N ATOM 0 H ASN A 46 -3.879 1.700 7.898 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.157 1.741 9.072 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -3.290 1.603 10.473 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -3.596 0.029 9.767 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -1.568 -1.446 12.321 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -3.101 -1.443 11.441 1.00 1.22 H new ATOM 722 N ALA A 47 -1.867 -0.303 6.820 1.00 0.24 N ATOM 723 CA ALA A 47 -1.401 -1.526 6.101 1.00 0.30 C ATOM 724 C ALA A 47 0.129 -1.582 6.152 1.00 0.51 C ATOM 725 O ALA A 47 0.812 -0.702 5.668 1.00 1.49 O ATOM 726 CB ALA A 47 -1.874 -1.481 4.644 1.00 0.21 C ATOM 0 H ALA A 47 -2.441 0.337 6.271 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.815 -2.414 6.578 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.532 -2.375 4.123 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.963 -1.439 4.616 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -1.464 -0.597 4.156 1.00 0.21 H new ATOM 732 N LYS A 48 0.669 -2.608 6.752 1.00 0.60 N ATOM 733 CA LYS A 48 2.151 -2.726 6.861 1.00 0.53 C ATOM 734 C LYS A 48 2.785 -2.994 5.490 1.00 0.42 C ATOM 735 O LYS A 48 3.842 -2.478 5.186 1.00 0.51 O ATOM 736 CB LYS A 48 2.505 -3.866 7.819 1.00 0.68 C ATOM 737 CG LYS A 48 4.007 -3.826 8.123 1.00 1.13 C ATOM 738 CD LYS A 48 4.380 -4.954 9.097 1.00 1.72 C ATOM 739 CE LYS A 48 3.877 -4.631 10.511 1.00 2.29 C ATOM 740 NZ LYS A 48 4.605 -5.475 11.499 1.00 2.97 N ATOM 0 H LYS A 48 0.144 -3.374 7.174 1.00 0.60 H new ATOM 0 HA LYS A 48 2.543 -1.784 7.243 1.00 0.53 H new ATOM 0 HB2 LYS A 48 1.933 -3.771 8.742 1.00 0.68 H new ATOM 0 HB3 LYS A 48 2.238 -4.825 7.375 1.00 0.68 H new ATOM 0 HG2 LYS A 48 4.576 -3.930 7.199 1.00 1.13 H new ATOM 0 HG3 LYS A 48 4.273 -2.861 8.554 1.00 1.13 H new ATOM 0 HD2 LYS A 48 3.947 -5.895 8.757 1.00 1.72 H new ATOM 0 HD3 LYS A 48 5.462 -5.088 9.111 1.00 1.72 H new ATOM 0 HE2 LYS A 48 4.034 -3.575 10.732 1.00 2.29 H new ATOM 0 HE3 LYS A 48 2.805 -4.815 10.579 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 4.266 -5.258 12.458 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 4.434 -6.479 11.290 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 5.624 -5.278 11.440 1.00 2.97 H new ATOM 754 N THR A 49 2.171 -3.815 4.668 1.00 0.35 N ATOM 755 CA THR A 49 2.773 -4.131 3.328 1.00 0.42 C ATOM 756 C THR A 49 1.694 -4.170 2.237 1.00 0.62 C ATOM 757 O THR A 49 0.515 -4.278 2.508 1.00 1.59 O ATOM 758 CB THR A 49 3.465 -5.494 3.403 1.00 0.45 C ATOM 759 OG1 THR A 49 4.145 -5.747 2.181 1.00 0.57 O ATOM 760 CG2 THR A 49 2.424 -6.587 3.647 1.00 0.48 C ATOM 0 H THR A 49 1.284 -4.278 4.864 1.00 0.35 H new ATOM 0 HA THR A 49 3.492 -3.352 3.074 1.00 0.42 H new ATOM 0 HB THR A 49 4.182 -5.492 4.224 1.00 0.45 H new ATOM 0 HG1 THR A 49 4.590 -6.619 2.229 1.00 0.57 H new ATOM 0 HG21 THR A 49 2.920 -7.556 3.700 1.00 0.48 H new ATOM 0 HG22 THR A 49 1.906 -6.393 4.586 1.00 0.48 H new ATOM 0 HG23 THR A 49 1.703 -6.592 2.829 1.00 0.48 H new ATOM 768 N VAL A 50 2.109 -4.071 0.999 1.00 0.44 N ATOM 769 CA VAL A 50 1.146 -4.089 -0.144 1.00 0.33 C ATOM 770 C VAL A 50 0.390 -5.421 -0.177 1.00 0.37 C ATOM 771 O VAL A 50 -0.792 -5.463 -0.452 1.00 0.40 O ATOM 772 CB VAL A 50 1.914 -3.913 -1.455 1.00 0.42 C ATOM 773 CG1 VAL A 50 0.959 -4.068 -2.643 1.00 0.47 C ATOM 774 CG2 VAL A 50 2.550 -2.522 -1.492 1.00 0.44 C ATOM 0 H VAL A 50 3.088 -3.977 0.729 1.00 0.44 H new ATOM 0 HA VAL A 50 0.431 -3.276 -0.019 1.00 0.33 H new ATOM 0 HB VAL A 50 2.693 -4.673 -1.518 1.00 0.42 H new ATOM 0 HG11 VAL A 50 1.512 -3.941 -3.574 1.00 0.47 H new ATOM 0 HG12 VAL A 50 0.509 -5.060 -2.621 1.00 0.47 H new ATOM 0 HG13 VAL A 50 0.176 -3.313 -2.581 1.00 0.47 H new ATOM 0 HG21 VAL A 50 3.097 -2.397 -2.426 1.00 0.44 H new ATOM 0 HG22 VAL A 50 1.770 -1.763 -1.424 1.00 0.44 H new ATOM 0 HG23 VAL A 50 3.236 -2.413 -0.652 1.00 0.44 H new ATOM 784 N GLU A 51 1.058 -6.513 0.084 1.00 0.43 N ATOM 785 CA GLU A 51 0.358 -7.830 0.047 1.00 0.53 C ATOM 786 C GLU A 51 -0.889 -7.739 0.923 1.00 0.49 C ATOM 787 O GLU A 51 -1.943 -8.233 0.577 1.00 0.62 O ATOM 788 CB GLU A 51 1.292 -8.927 0.574 1.00 0.66 C ATOM 789 CG GLU A 51 0.596 -10.289 0.486 1.00 1.57 C ATOM 790 CD GLU A 51 1.535 -11.376 1.013 1.00 1.95 C ATOM 791 OE1 GLU A 51 2.697 -11.075 1.229 1.00 2.64 O ATOM 792 OE2 GLU A 51 1.077 -12.493 1.188 1.00 2.14 O ATOM 0 H GLU A 51 2.050 -6.551 0.319 1.00 0.43 H new ATOM 0 HA GLU A 51 0.074 -8.077 -0.976 1.00 0.53 H new ATOM 0 HB2 GLU A 51 2.214 -8.942 -0.007 1.00 0.66 H new ATOM 0 HB3 GLU A 51 1.569 -8.716 1.607 1.00 0.66 H new ATOM 0 HG2 GLU A 51 -0.326 -10.277 1.067 1.00 1.57 H new ATOM 0 HG3 GLU A 51 0.319 -10.502 -0.546 1.00 1.57 H new ATOM 799 N GLY A 52 -0.781 -7.089 2.044 1.00 0.40 N ATOM 800 CA GLY A 52 -1.961 -6.938 2.931 1.00 0.41 C ATOM 801 C GLY A 52 -2.950 -5.959 2.292 1.00 0.31 C ATOM 802 O GLY A 52 -4.148 -6.079 2.454 1.00 0.35 O ATOM 0 H GLY A 52 0.077 -6.655 2.385 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -2.439 -7.905 3.088 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.651 -6.573 3.910 1.00 0.41 H new ATOM 806 N VAL A 53 -2.460 -4.978 1.572 1.00 0.22 N ATOM 807 CA VAL A 53 -3.384 -3.991 0.943 1.00 0.15 C ATOM 808 C VAL A 53 -4.290 -4.696 -0.080 1.00 0.14 C ATOM 809 O VAL A 53 -5.489 -4.531 -0.065 1.00 0.17 O ATOM 810 CB VAL A 53 -2.567 -2.905 0.233 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.499 -1.999 -0.580 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.823 -2.065 1.276 1.00 0.14 C ATOM 0 H VAL A 53 -1.468 -4.821 1.396 1.00 0.22 H new ATOM 0 HA VAL A 53 -4.002 -3.539 1.718 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.850 -3.377 -0.439 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -2.912 -1.230 -1.082 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -4.028 -2.595 -1.324 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -4.221 -1.527 0.087 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -1.241 -1.292 0.773 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -2.543 -1.598 1.948 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -1.154 -2.706 1.850 1.00 0.14 H new ATOM 822 N LYS A 54 -3.733 -5.471 -0.973 1.00 0.18 N ATOM 823 CA LYS A 54 -4.586 -6.160 -1.992 1.00 0.21 C ATOM 824 C LYS A 54 -5.432 -7.261 -1.341 1.00 0.20 C ATOM 825 O LYS A 54 -6.584 -7.448 -1.679 1.00 0.21 O ATOM 826 CB LYS A 54 -3.699 -6.767 -3.084 1.00 0.26 C ATOM 827 CG LYS A 54 -2.738 -7.783 -2.465 1.00 0.30 C ATOM 828 CD LYS A 54 -1.692 -8.202 -3.506 1.00 0.78 C ATOM 829 CE LYS A 54 -2.378 -8.866 -4.708 1.00 1.14 C ATOM 830 NZ LYS A 54 -2.861 -7.815 -5.649 1.00 1.73 N ATOM 0 H LYS A 54 -2.733 -5.657 -1.043 1.00 0.18 H new ATOM 0 HA LYS A 54 -5.258 -5.424 -2.434 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -4.317 -7.251 -3.840 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -3.137 -5.981 -3.588 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -2.246 -7.350 -1.594 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -3.290 -8.656 -2.118 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -1.127 -7.330 -3.836 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -0.978 -8.893 -3.058 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -1.680 -9.531 -5.216 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -3.214 -9.479 -4.370 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -3.899 -7.848 -5.703 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -2.562 -6.879 -5.307 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -2.459 -7.983 -6.593 1.00 1.73 H new ATOM 844 N ALA A 55 -4.874 -7.997 -0.419 1.00 0.22 N ATOM 845 CA ALA A 55 -5.652 -9.088 0.239 1.00 0.23 C ATOM 846 C ALA A 55 -6.762 -8.487 1.099 1.00 0.20 C ATOM 847 O ALA A 55 -7.849 -9.023 1.196 1.00 0.19 O ATOM 848 CB ALA A 55 -4.718 -9.923 1.117 1.00 0.30 C ATOM 0 H ALA A 55 -3.914 -7.891 -0.092 1.00 0.22 H new ATOM 0 HA ALA A 55 -6.097 -9.724 -0.526 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -5.286 -10.720 1.598 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.932 -10.359 0.500 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -4.270 -9.286 1.880 1.00 0.30 H new ATOM 854 N LEU A 56 -6.497 -7.379 1.724 1.00 0.20 N ATOM 855 CA LEU A 56 -7.532 -6.740 2.578 1.00 0.21 C ATOM 856 C LEU A 56 -8.652 -6.198 1.682 1.00 0.18 C ATOM 857 O LEU A 56 -9.819 -6.317 1.986 1.00 0.19 O ATOM 858 CB LEU A 56 -6.874 -5.628 3.388 1.00 0.26 C ATOM 859 CG LEU A 56 -7.915 -4.881 4.234 1.00 0.30 C ATOM 860 CD1 LEU A 56 -8.646 -5.864 5.165 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.197 -3.808 5.074 1.00 0.46 C ATOM 0 H LEU A 56 -5.605 -6.886 1.681 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.970 -7.459 3.270 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -6.106 -6.050 4.037 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.375 -4.929 2.717 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.648 -4.411 3.578 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -9.382 -5.323 5.760 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -9.150 -6.624 4.568 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -7.925 -6.342 5.827 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -7.927 -3.271 5.679 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.466 -4.286 5.726 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -6.689 -3.107 4.412 1.00 0.46 H new ATOM 873 N ILE A 57 -8.314 -5.632 0.562 1.00 0.16 N ATOM 874 CA ILE A 57 -9.374 -5.138 -0.361 1.00 0.17 C ATOM 875 C ILE A 57 -10.057 -6.350 -0.995 1.00 0.17 C ATOM 876 O ILE A 57 -11.257 -6.378 -1.187 1.00 0.20 O ATOM 877 CB ILE A 57 -8.741 -4.291 -1.466 1.00 0.18 C ATOM 878 CG1 ILE A 57 -8.136 -3.007 -0.864 1.00 0.19 C ATOM 879 CG2 ILE A 57 -9.788 -3.933 -2.524 1.00 0.23 C ATOM 880 CD1 ILE A 57 -9.212 -2.136 -0.190 1.00 0.21 C ATOM 0 H ILE A 57 -7.355 -5.489 0.244 1.00 0.16 H new ATOM 0 HA ILE A 57 -10.095 -4.532 0.189 1.00 0.17 H new ATOM 0 HB ILE A 57 -7.947 -4.868 -1.941 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.371 -3.272 -0.134 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -7.642 -2.434 -1.649 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -9.325 -3.330 -3.305 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -10.190 -4.847 -2.962 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -10.596 -3.367 -2.060 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.749 -1.240 0.223 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -9.963 -1.850 -0.927 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -9.688 -2.701 0.612 1.00 0.21 H new ATOM 892 N ASP A 58 -9.284 -7.349 -1.339 1.00 0.16 N ATOM 893 CA ASP A 58 -9.864 -8.563 -1.985 1.00 0.19 C ATOM 894 C ASP A 58 -10.779 -9.300 -1.007 1.00 0.19 C ATOM 895 O ASP A 58 -11.838 -9.769 -1.376 1.00 0.22 O ATOM 896 CB ASP A 58 -8.735 -9.500 -2.425 1.00 0.21 C ATOM 897 CG ASP A 58 -9.324 -10.714 -3.151 1.00 0.50 C ATOM 898 OD1 ASP A 58 -10.517 -10.933 -3.029 1.00 1.17 O ATOM 899 OD2 ASP A 58 -8.569 -11.403 -3.817 1.00 1.11 O ATOM 0 H ASP A 58 -8.274 -7.375 -1.199 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.446 -8.253 -2.853 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -8.045 -8.970 -3.082 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -8.161 -9.826 -1.557 1.00 0.21 H new ATOM 904 N GLU A 59 -10.392 -9.413 0.235 1.00 0.18 N ATOM 905 CA GLU A 59 -11.266 -10.125 1.204 1.00 0.21 C ATOM 906 C GLU A 59 -12.501 -9.266 1.456 1.00 0.24 C ATOM 907 O GLU A 59 -13.603 -9.761 1.577 1.00 0.30 O ATOM 908 CB GLU A 59 -10.492 -10.414 2.511 1.00 0.23 C ATOM 909 CG GLU A 59 -10.434 -9.181 3.412 1.00 0.25 C ATOM 910 CD GLU A 59 -9.617 -9.506 4.664 1.00 0.38 C ATOM 911 OE1 GLU A 59 -9.315 -10.671 4.865 1.00 1.04 O ATOM 912 OE2 GLU A 59 -9.309 -8.585 5.404 1.00 0.98 O ATOM 0 H GLU A 59 -9.519 -9.047 0.615 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.580 -11.088 0.800 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -10.972 -11.234 3.045 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -9.479 -10.739 2.271 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -9.983 -8.346 2.876 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -11.442 -8.873 3.691 1.00 0.25 H new ATOM 919 N ILE A 60 -12.322 -7.976 1.523 1.00 0.23 N ATOM 920 CA ILE A 60 -13.487 -7.086 1.753 1.00 0.27 C ATOM 921 C ILE A 60 -14.367 -7.087 0.501 1.00 0.28 C ATOM 922 O ILE A 60 -15.578 -7.137 0.581 1.00 0.33 O ATOM 923 CB ILE A 60 -12.996 -5.670 2.054 1.00 0.28 C ATOM 924 CG1 ILE A 60 -12.299 -5.665 3.417 1.00 0.29 C ATOM 925 CG2 ILE A 60 -14.186 -4.706 2.087 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.534 -4.353 3.595 1.00 0.27 C ATOM 0 H ILE A 60 -11.423 -7.504 1.429 1.00 0.23 H new ATOM 0 HA ILE A 60 -14.069 -7.443 2.603 1.00 0.27 H new ATOM 0 HB ILE A 60 -12.299 -5.352 1.279 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -13.034 -5.780 4.213 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.614 -6.510 3.490 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.832 -3.698 2.302 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.689 -4.716 1.120 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.885 -5.018 2.863 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -11.038 -4.350 4.566 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.788 -4.257 2.806 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -12.230 -3.516 3.541 1.00 0.27 H new ATOM 938 N LEU A 61 -13.766 -7.053 -0.660 1.00 0.25 N ATOM 939 CA LEU A 61 -14.570 -7.075 -1.914 1.00 0.30 C ATOM 940 C LEU A 61 -15.248 -8.442 -2.045 1.00 0.33 C ATOM 941 O LEU A 61 -16.391 -8.544 -2.444 1.00 0.46 O ATOM 942 CB LEU A 61 -13.659 -6.818 -3.131 1.00 0.29 C ATOM 943 CG LEU A 61 -13.384 -5.312 -3.300 1.00 0.32 C ATOM 944 CD1 LEU A 61 -12.380 -5.105 -4.450 1.00 1.15 C ATOM 945 CD2 LEU A 61 -14.697 -4.552 -3.614 1.00 1.27 C ATOM 0 H LEU A 61 -12.755 -7.011 -0.792 1.00 0.25 H new ATOM 0 HA LEU A 61 -15.327 -6.292 -1.878 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -12.717 -7.352 -3.005 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -14.130 -7.210 -4.033 1.00 0.29 H new ATOM 0 HG LEU A 61 -12.970 -4.921 -2.371 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -12.182 -4.040 -4.573 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -11.449 -5.622 -4.218 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -12.797 -5.506 -5.374 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -14.483 -3.489 -3.730 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -15.129 -4.938 -4.537 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -15.403 -4.693 -2.796 1.00 1.27 H new ATOM 957 N ALA A 62 -14.553 -9.493 -1.708 1.00 0.28 N ATOM 958 CA ALA A 62 -15.157 -10.851 -1.808 1.00 0.32 C ATOM 959 C ALA A 62 -16.242 -11.005 -0.738 1.00 0.37 C ATOM 960 O ALA A 62 -17.213 -11.712 -0.922 1.00 0.48 O ATOM 961 CB ALA A 62 -14.072 -11.907 -1.588 1.00 0.31 C ATOM 0 H ALA A 62 -13.592 -9.470 -1.367 1.00 0.28 H new ATOM 0 HA ALA A 62 -15.598 -10.982 -2.796 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.512 -12.902 -1.661 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.298 -11.796 -2.347 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -13.632 -11.776 -0.599 1.00 0.31 H new ATOM 967 N ALA A 63 -16.079 -10.352 0.379 1.00 0.41 N ATOM 968 CA ALA A 63 -17.094 -10.461 1.466 1.00 0.50 C ATOM 969 C ALA A 63 -18.455 -9.975 0.959 1.00 0.70 C ATOM 970 O ALA A 63 -19.481 -10.546 1.271 1.00 1.15 O ATOM 971 CB ALA A 63 -16.659 -9.604 2.657 1.00 0.72 C ATOM 0 H ALA A 63 -15.285 -9.746 0.587 1.00 0.41 H new ATOM 0 HA ALA A 63 -17.178 -11.503 1.775 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -17.400 -9.683 3.452 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -15.694 -9.954 3.024 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -16.572 -8.564 2.344 1.00 0.72 H new ATOM 977 N LEU A 64 -18.476 -8.922 0.188 1.00 0.59 N ATOM 978 CA LEU A 64 -19.778 -8.405 -0.322 1.00 0.85 C ATOM 979 C LEU A 64 -20.384 -9.439 -1.292 1.00 1.41 C ATOM 980 O LEU A 64 -19.656 -10.134 -1.974 1.00 1.62 O ATOM 981 CB LEU A 64 -19.534 -7.089 -1.073 1.00 0.65 C ATOM 982 CG LEU A 64 -18.907 -6.052 -0.126 1.00 0.53 C ATOM 983 CD1 LEU A 64 -18.252 -4.940 -0.948 1.00 0.68 C ATOM 984 CD2 LEU A 64 -19.983 -5.437 0.781 1.00 0.84 C ATOM 0 H LEU A 64 -17.652 -8.399 -0.110 1.00 0.59 H new ATOM 0 HA LEU A 64 -20.462 -8.234 0.509 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -18.875 -7.263 -1.923 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -20.474 -6.708 -1.471 1.00 0.65 H new ATOM 0 HG LEU A 64 -18.160 -6.550 0.492 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -17.808 -4.205 -0.277 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -17.476 -5.366 -1.584 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -19.005 -4.455 -1.570 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -19.524 -4.705 1.445 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -20.739 -4.946 0.168 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -20.451 -6.222 1.374 1.00 0.84 H new ATOM 996 N PRO A 65 -21.697 -9.552 -1.372 1.00 1.85 N ATOM 997 CA PRO A 65 -22.321 -10.539 -2.305 1.00 2.43 C ATOM 998 C PRO A 65 -21.963 -10.249 -3.770 1.00 2.62 C ATOM 999 O PRO A 65 -22.021 -11.171 -4.567 1.00 2.81 O ATOM 1000 CB PRO A 65 -23.829 -10.344 -2.039 1.00 2.89 C ATOM 1001 CG PRO A 65 -24.005 -9.077 -1.183 1.00 2.69 C ATOM 1002 CD PRO A 65 -22.643 -8.730 -0.562 1.00 2.01 C ATOM 1003 OXT PRO A 65 -21.640 -9.111 -4.066 1.00 3.05 O ATOM 0 HA PRO A 65 -21.979 -11.561 -2.140 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -24.372 -10.246 -2.979 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -24.240 -11.212 -1.523 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -24.366 -8.251 -1.795 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -24.748 -9.244 -0.403 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -22.422 -7.665 -0.638 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -22.602 -8.989 0.496 1.00 2.01 H new TER 1011 PRO A 65