USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 22 THR OG1 : rot -138:sc= 0.466 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.455 K(o=0.92,f=0.055) USER MOD Set 2.1: A 7 THR OG1 : rot 139:sc= 0.907 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.812 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 170:sc= 0.953 (180deg=-0.00265) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.824 USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.442) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.28 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -110:sc= 0.734 (180deg=0.502) USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.115 USER MOD Single : A 20 SER OG : rot 180:sc= 0.04 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.82 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.99 K(o=-0.99,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= -0.0892 (180deg=-0.189) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 0.916 K(o=0.92,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.4 K(o=0.4,f=-8.6!) USER MOD Single : A 55 THR OG1 : rot -44:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.542 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0545 K(o=-0.055,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.490 -7.636 -5.023 1.00 9.67 N ATOM 2 CA MET A 1 11.368 -7.881 -3.634 1.00 10.38 C ATOM 3 C MET A 1 9.911 -8.056 -3.169 1.00 9.62 C ATOM 4 O MET A 1 9.024 -7.723 -3.957 1.00 9.62 O ATOM 5 CB MET A 1 12.123 -6.746 -2.840 1.00 13.77 C ATOM 6 CG MET A 1 11.317 -5.440 -2.723 1.00 16.29 C ATOM 7 SD MET A 1 12.211 -4.172 -1.830 1.00 17.17 S ATOM 8 CE MET A 1 10.829 -3.076 -1.440 1.00 16.11 C ATOM 0 H1 MET A 1 12.368 -7.110 -5.207 1.00 9.67 H new ATOM 0 H2 MET A 1 11.515 -8.541 -5.534 1.00 9.67 H new ATOM 0 H3 MET A 1 10.677 -7.076 -5.350 1.00 9.67 H new ATOM 0 HA MET A 1 11.838 -8.840 -3.418 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.360 -7.109 -1.840 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.071 -6.536 -3.335 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.072 -5.075 -3.721 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.373 -5.642 -2.217 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.182 -2.046 -1.399 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.064 -3.167 -2.211 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.406 -3.353 -0.474 1.00 16.11 H new ATOM 20 N GLN A 2 9.600 -8.549 -1.939 1.00 9.27 N ATOM 21 CA GLN A 2 8.221 -8.756 -1.486 1.00 9.07 C ATOM 22 C GLN A 2 7.819 -7.941 -0.242 1.00 8.72 C ATOM 23 O GLN A 2 8.570 -7.831 0.745 1.00 8.22 O ATOM 24 CB GLN A 2 8.069 -10.269 -1.233 1.00 14.46 C ATOM 25 CG GLN A 2 8.506 -11.159 -2.419 1.00 17.01 C ATOM 26 CD GLN A 2 7.994 -12.600 -2.262 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.135 -13.071 -3.024 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.496 -13.303 -1.246 1.00 19.49 N ATOM 0 H GLN A 2 10.303 -8.809 -1.247 1.00 9.27 H new ATOM 0 HA GLN A 2 7.543 -8.393 -2.259 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.656 -10.540 -0.355 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.026 -10.483 -0.998 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.128 -10.737 -3.350 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.594 -11.164 -2.490 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.201 -12.887 -0.637 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.175 -14.256 -1.078 1.00 19.49 H new ATOM 37 N ILE A 3 6.651 -7.397 -0.189 1.00 5.87 N ATOM 38 CA ILE A 3 6.157 -6.672 0.910 1.00 5.07 C ATOM 39 C ILE A 3 4.837 -7.265 1.305 1.00 4.01 C ATOM 40 O ILE A 3 4.160 -7.930 0.516 1.00 4.61 O ATOM 41 CB ILE A 3 5.911 -5.160 0.654 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.147 -4.836 -0.679 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.346 -4.535 0.662 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.903 -3.334 -0.950 1.00 10.83 C ATOM 0 H ILE A 3 5.985 -7.455 -0.960 1.00 5.87 H new ATOM 0 HA ILE A 3 6.928 -6.742 1.677 1.00 5.07 H new ATOM 0 HB ILE A 3 5.250 -4.747 1.416 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.712 -5.252 -1.513 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.184 -5.346 -0.660 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.276 -3.461 0.488 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.816 -4.716 1.628 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.946 -4.992 -0.125 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.369 -3.216 -1.893 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.308 -2.910 -0.141 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.860 -2.815 -1.007 1.00 10.83 H new ATOM 56 N PHE A 4 4.401 -7.034 2.564 1.00 4.55 N ATOM 57 CA PHE A 4 3.303 -7.741 3.207 1.00 4.68 C ATOM 58 C PHE A 4 2.324 -6.580 3.503 1.00 5.30 C ATOM 59 O PHE A 4 2.684 -5.536 4.078 1.00 5.58 O ATOM 60 CB PHE A 4 3.670 -8.454 4.518 1.00 4.83 C ATOM 61 CG PHE A 4 4.785 -9.412 4.322 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.694 -10.446 3.344 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.880 -9.429 5.106 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.729 -11.410 3.195 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.909 -10.406 4.998 1.00 10.61 C ATOM 66 CZ PHE A 4 6.806 -11.415 4.019 1.00 8.90 C ATOM 0 H PHE A 4 4.824 -6.328 3.166 1.00 4.55 H new ATOM 0 HA PHE A 4 2.927 -8.547 2.578 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.951 -7.715 5.269 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.798 -8.983 4.902 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.824 -10.498 2.706 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.983 -8.660 5.857 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.656 -12.151 2.412 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.761 -10.375 5.660 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.568 -12.175 3.927 1.00 8.90 H new ATOM 76 N VAL A 5 1.082 -6.668 3.018 1.00 4.44 N ATOM 77 CA VAL A 5 0.018 -5.734 3.344 1.00 3.87 C ATOM 78 C VAL A 5 -1.017 -6.514 4.135 1.00 4.93 C ATOM 79 O VAL A 5 -1.542 -7.531 3.653 1.00 6.84 O ATOM 80 CB VAL A 5 -0.573 -4.976 2.160 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.616 -3.918 2.650 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.516 -4.255 1.336 1.00 9.13 C ATOM 0 H VAL A 5 0.790 -7.406 2.377 1.00 4.44 H new ATOM 0 HA VAL A 5 0.434 -4.919 3.937 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.060 -5.715 1.524 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.027 -3.387 1.791 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.421 -4.422 3.185 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.127 -3.207 3.316 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.052 -3.728 0.502 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.040 -3.541 1.971 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.226 -4.987 0.952 1.00 9.13 H new ATOM 92 N LYS A 6 -1.401 -5.954 5.318 1.00 6.04 N ATOM 93 CA LYS A 6 -2.360 -6.513 6.188 1.00 6.12 C ATOM 94 C LYS A 6 -3.642 -5.753 5.909 1.00 6.57 C ATOM 95 O LYS A 6 -3.615 -4.570 5.691 1.00 5.76 O ATOM 96 CB LYS A 6 -1.913 -6.564 7.627 1.00 7.45 C ATOM 97 CG LYS A 6 -0.815 -7.603 7.878 1.00 11.12 C ATOM 98 CD LYS A 6 -0.500 -7.687 9.366 1.00 14.54 C ATOM 99 CE LYS A 6 -1.461 -8.738 10.030 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.077 -10.135 9.782 1.00 20.55 N ATOM 0 H LYS A 6 -1.013 -5.075 5.661 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.521 -7.574 5.999 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.549 -5.580 7.923 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.771 -6.790 8.260 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.136 -8.578 7.511 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.084 -7.334 7.323 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.539 -7.979 9.516 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.627 -6.711 9.834 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.487 -8.564 11.106 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.473 -8.578 9.657 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.648 -10.764 10.382 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.242 -10.368 8.782 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.070 -10.263 10.006 1.00 20.55 H new ATOM 114 N THR A 7 -4.789 -6.468 5.893 1.00 7.41 N ATOM 115 CA THR A 7 -6.083 -5.902 5.587 1.00 7.48 C ATOM 116 C THR A 7 -6.923 -5.735 6.865 1.00 8.75 C ATOM 117 O THR A 7 -6.618 -6.288 7.948 1.00 8.58 O ATOM 118 CB THR A 7 -6.941 -6.739 4.643 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.239 -7.975 5.282 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.121 -7.069 3.323 1.00 9.17 C ATOM 0 H THR A 7 -4.822 -7.467 6.098 1.00 7.41 H new ATOM 0 HA THR A 7 -5.841 -4.955 5.105 1.00 7.48 H new ATOM 0 HB THR A 7 -7.848 -6.188 4.396 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.174 -8.214 5.112 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.737 -7.667 2.652 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.840 -6.140 2.827 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.222 -7.627 3.583 1.00 9.17 H new ATOM 128 N LEU A 8 -8.069 -5.019 6.820 1.00 9.84 N ATOM 129 CA LEU A 8 -8.941 -4.867 7.920 1.00 14.15 C ATOM 130 C LEU A 8 -9.746 -6.224 8.101 1.00 17.37 C ATOM 131 O LEU A 8 -10.239 -6.456 9.211 1.00 17.01 O ATOM 132 CB LEU A 8 -10.061 -3.838 7.524 1.00 16.63 C ATOM 133 CG LEU A 8 -9.586 -2.360 7.376 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.784 -1.421 6.962 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.946 -1.906 8.707 1.00 18.59 C ATOM 0 H LEU A 8 -8.387 -4.534 5.981 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.365 -4.573 8.797 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.506 -4.155 6.581 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.848 -3.876 8.277 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.842 -2.293 6.582 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.426 -0.396 6.865 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.194 -1.754 6.008 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.561 -1.464 7.726 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.610 -0.873 8.615 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.682 -1.978 9.508 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.094 -2.546 8.938 1.00 18.59 H new ATOM 147 N THR A 9 -9.842 -7.056 7.096 1.00 18.33 N ATOM 148 CA THR A 9 -10.475 -8.365 7.126 1.00 19.24 C ATOM 149 C THR A 9 -9.673 -9.471 7.694 1.00 19.48 C ATOM 150 O THR A 9 -10.109 -10.608 7.720 1.00 23.14 O ATOM 151 CB THR A 9 -11.011 -8.731 5.711 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.990 -8.496 4.724 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.151 -7.865 5.318 1.00 19.70 C ATOM 0 H THR A 9 -9.460 -6.832 6.177 1.00 18.33 H new ATOM 0 HA THR A 9 -11.297 -8.258 7.834 1.00 19.24 H new ATOM 0 HB THR A 9 -11.315 -9.777 5.755 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.333 -8.730 3.836 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.499 -8.150 4.325 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.963 -7.985 6.035 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.829 -6.824 5.305 1.00 19.70 H new ATOM 161 N GLY A 10 -8.460 -9.199 8.179 1.00 19.43 N ATOM 162 CA GLY A 10 -7.615 -10.091 8.986 1.00 18.74 C ATOM 163 C GLY A 10 -6.748 -10.965 8.151 1.00 17.62 C ATOM 164 O GLY A 10 -6.049 -11.856 8.594 1.00 19.74 O ATOM 0 H GLY A 10 -8.012 -8.298 8.011 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.991 -9.493 9.649 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.249 -10.712 9.619 1.00 18.74 H new ATOM 168 N LYS A 11 -6.698 -10.736 6.826 1.00 13.56 N ATOM 169 CA LYS A 11 -5.840 -11.370 5.865 1.00 11.91 C ATOM 170 C LYS A 11 -4.498 -10.710 5.879 1.00 10.18 C ATOM 171 O LYS A 11 -4.406 -9.516 6.194 1.00 9.10 O ATOM 172 CB LYS A 11 -6.424 -11.317 4.393 1.00 13.43 C ATOM 173 CG LYS A 11 -7.797 -11.948 4.103 1.00 16.69 C ATOM 174 CD LYS A 11 -8.263 -11.763 2.592 1.00 17.92 C ATOM 175 CE LYS A 11 -7.370 -12.442 1.566 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.875 -12.167 0.244 1.00 21.93 N ATOM 0 H LYS A 11 -7.311 -10.048 6.388 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.761 -12.419 6.152 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.477 -10.269 4.099 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.698 -11.796 3.736 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.758 -13.012 4.337 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.541 -11.503 4.764 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.275 -12.153 2.488 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.307 -10.697 2.367 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.346 -12.080 1.660 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.345 -13.517 1.743 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.272 -13.037 -0.164 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.617 -11.441 0.300 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.100 -11.824 -0.359 1.00 21.93 H new ATOM 190 N THR A 12 -3.435 -11.453 5.384 1.00 9.63 N ATOM 191 CA THR A 12 -2.059 -10.973 5.096 1.00 9.85 C ATOM 192 C THR A 12 -1.724 -11.210 3.625 1.00 11.66 C ATOM 193 O THR A 12 -1.590 -12.337 3.207 1.00 12.33 O ATOM 194 CB THR A 12 -0.915 -11.592 5.939 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.167 -11.538 7.341 1.00 10.91 O ATOM 196 CG2 THR A 12 0.415 -10.855 5.674 1.00 9.63 C ATOM 0 H THR A 12 -3.541 -12.445 5.172 1.00 9.63 H new ATOM 0 HA THR A 12 -2.096 -9.918 5.367 1.00 9.85 H new ATOM 0 HB THR A 12 -0.854 -12.636 5.633 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.416 -11.942 7.824 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.206 -11.304 6.275 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.672 -10.936 4.618 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.308 -9.804 5.942 1.00 9.63 H new ATOM 204 N ILE A 13 -1.602 -10.223 2.749 1.00 10.42 N ATOM 205 CA ILE A 13 -1.314 -10.445 1.343 1.00 11.84 C ATOM 206 C ILE A 13 0.175 -10.207 1.044 1.00 10.55 C ATOM 207 O ILE A 13 0.824 -9.586 1.873 1.00 11.92 O ATOM 208 CB ILE A 13 -2.257 -9.695 0.367 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.021 -8.171 0.423 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.684 -10.114 0.805 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.816 -7.250 -0.472 1.00 16.46 C ATOM 0 H ILE A 13 -1.701 -9.239 2.998 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.529 -11.496 1.151 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.081 -9.952 -0.678 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.195 -7.854 1.451 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.966 -7.998 0.210 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.419 -9.627 0.164 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.788 -11.196 0.719 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.850 -9.815 1.840 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.514 -6.218 -0.293 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.630 -7.507 -1.515 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.879 -7.360 -0.255 1.00 16.46 H new ATOM 223 N THR A 14 0.767 -10.718 -0.059 1.00 9.39 N ATOM 224 CA THR A 14 2.180 -10.462 -0.423 1.00 9.63 C ATOM 225 C THR A 14 2.126 -9.827 -1.790 1.00 11.20 C ATOM 226 O THR A 14 1.330 -10.251 -2.668 1.00 11.63 O ATOM 227 CB THR A 14 3.145 -11.625 -0.462 1.00 10.38 C ATOM 228 OG1 THR A 14 3.216 -12.295 0.771 1.00 16.30 O ATOM 229 CG2 THR A 14 4.572 -11.309 -0.887 1.00 11.66 C ATOM 0 H THR A 14 0.279 -11.320 -0.722 1.00 9.39 H new ATOM 0 HA THR A 14 2.591 -9.852 0.381 1.00 9.63 H new ATOM 0 HB THR A 14 2.708 -12.249 -1.241 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.890 -11.866 1.338 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.166 -12.223 -0.875 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.568 -10.892 -1.894 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.006 -10.586 -0.196 1.00 11.66 H new ATOM 237 N LEU A 15 2.916 -8.759 -1.939 1.00 8.29 N ATOM 238 CA LEU A 15 2.954 -8.112 -3.250 1.00 9.03 C ATOM 239 C LEU A 15 4.418 -8.060 -3.674 1.00 8.59 C ATOM 240 O LEU A 15 5.272 -7.641 -2.916 1.00 7.79 O ATOM 241 CB LEU A 15 2.493 -6.611 -3.190 1.00 11.08 C ATOM 242 CG LEU A 15 1.093 -6.342 -2.559 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.726 -4.866 -2.372 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.104 -7.075 -3.227 1.00 15.27 C ATOM 0 H LEU A 15 3.504 -8.345 -1.216 1.00 8.29 H new ATOM 0 HA LEU A 15 2.300 -8.670 -3.920 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.236 -6.047 -2.626 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.493 -6.212 -4.205 1.00 11.08 H new ATOM 0 HG LEU A 15 1.247 -6.783 -1.574 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.266 -4.791 -1.927 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.455 -4.390 -1.716 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.728 -4.365 -3.340 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.026 -6.815 -2.707 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.179 -6.773 -4.272 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.052 -8.152 -3.171 1.00 15.27 H new ATOM 256 N GLU A 16 4.686 -8.510 -4.947 1.00 11.04 N ATOM 257 CA GLU A 16 5.968 -8.397 -5.661 1.00 11.50 C ATOM 258 C GLU A 16 6.137 -6.912 -6.127 1.00 10.13 C ATOM 259 O GLU A 16 5.373 -6.303 -6.857 1.00 9.83 O ATOM 260 CB GLU A 16 6.044 -9.382 -6.870 1.00 17.22 C ATOM 261 CG GLU A 16 5.778 -10.841 -6.372 1.00 23.33 C ATOM 262 CD GLU A 16 6.108 -11.854 -7.481 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.279 -12.199 -7.687 1.00 28.90 O ATOM 264 OE2 GLU A 16 5.153 -12.427 -8.044 1.00 28.86 O ATOM 0 H GLU A 16 3.973 -8.977 -5.508 1.00 11.04 H new ATOM 0 HA GLU A 16 6.783 -8.672 -4.991 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.309 -9.105 -7.625 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.025 -9.321 -7.342 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.384 -11.047 -5.490 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.735 -10.946 -6.073 1.00 23.33 H new ATOM 271 N VAL A 17 7.205 -6.267 -5.655 1.00 8.99 N ATOM 272 CA VAL A 17 7.509 -4.851 -5.843 1.00 8.85 C ATOM 273 C VAL A 17 8.954 -4.872 -6.233 1.00 8.04 C ATOM 274 O VAL A 17 9.630 -5.816 -6.043 1.00 8.99 O ATOM 275 CB VAL A 17 7.223 -3.928 -4.625 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.680 -3.791 -4.625 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.748 -4.613 -3.331 1.00 10.54 C ATOM 0 H VAL A 17 7.917 -6.745 -5.103 1.00 8.99 H new ATOM 0 HA VAL A 17 6.852 -4.404 -6.589 1.00 8.85 H new ATOM 0 HB VAL A 17 7.711 -2.955 -4.675 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.371 -3.153 -3.797 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.354 -3.347 -5.566 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.227 -4.776 -4.513 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.550 -3.970 -2.473 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.241 -5.568 -3.193 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.821 -4.781 -3.418 1.00 10.54 H new ATOM 287 N GLU A 18 9.478 -3.769 -6.748 1.00 7.29 N ATOM 288 CA GLU A 18 10.859 -3.312 -6.816 1.00 7.08 C ATOM 289 C GLU A 18 10.797 -2.125 -5.869 1.00 6.45 C ATOM 290 O GLU A 18 9.767 -1.524 -5.712 1.00 5.28 O ATOM 291 CB GLU A 18 11.292 -2.881 -8.227 1.00 10.28 C ATOM 292 CG GLU A 18 11.376 -4.004 -9.321 1.00 12.65 C ATOM 293 CD GLU A 18 12.471 -5.009 -9.112 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.357 -4.854 -8.227 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.533 -6.011 -9.846 1.00 18.17 O ATOM 0 H GLU A 18 8.862 -3.084 -7.186 1.00 7.29 H new ATOM 0 HA GLU A 18 11.587 -4.082 -6.561 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.596 -2.119 -8.577 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.271 -2.408 -8.151 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.422 -4.530 -9.355 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.516 -3.533 -10.294 1.00 12.65 H new ATOM 302 N PRO A 19 11.892 -1.714 -5.190 1.00 7.24 N ATOM 303 CA PRO A 19 11.887 -0.628 -4.256 1.00 7.07 C ATOM 304 C PRO A 19 11.755 0.728 -4.863 1.00 6.65 C ATOM 305 O PRO A 19 11.620 1.762 -4.190 1.00 6.37 O ATOM 306 CB PRO A 19 13.261 -0.735 -3.598 1.00 7.61 C ATOM 307 CG PRO A 19 14.214 -1.305 -4.671 1.00 8.16 C ATOM 308 CD PRO A 19 13.242 -2.233 -5.476 1.00 7.49 C ATOM 0 HA PRO A 19 11.026 -0.713 -3.592 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.604 0.241 -3.253 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.224 -1.387 -2.725 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.647 -0.523 -5.294 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.044 -1.859 -4.232 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.459 -2.200 -6.544 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.339 -3.272 -5.163 1.00 7.49 H new ATOM 316 N SER A 20 11.857 0.796 -6.182 1.00 6.80 N ATOM 317 CA SER A 20 11.568 1.998 -6.916 1.00 6.28 C ATOM 318 C SER A 20 10.176 2.009 -7.525 1.00 8.45 C ATOM 319 O SER A 20 9.865 2.956 -8.257 1.00 7.26 O ATOM 320 CB SER A 20 12.555 2.022 -8.109 1.00 8.57 C ATOM 321 OG SER A 20 12.653 0.777 -8.801 1.00 11.13 O ATOM 0 H SER A 20 12.144 0.011 -6.766 1.00 6.80 H new ATOM 0 HA SER A 20 11.649 2.842 -6.231 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.242 2.794 -8.812 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.543 2.304 -7.745 1.00 8.57 H new ATOM 0 HG SER A 20 13.290 0.863 -9.541 1.00 11.13 H new ATOM 327 N ASP A 21 9.303 0.984 -7.243 1.00 7.50 N ATOM 328 CA ASP A 21 7.906 1.225 -7.513 1.00 7.70 C ATOM 329 C ASP A 21 7.301 2.323 -6.625 1.00 7.08 C ATOM 330 O ASP A 21 7.707 2.541 -5.490 1.00 8.11 O ATOM 331 CB ASP A 21 7.080 -0.002 -7.220 1.00 11.00 C ATOM 332 CG ASP A 21 7.009 -1.014 -8.327 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.112 -0.891 -9.169 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.860 -1.959 -8.403 1.00 18.03 O ATOM 0 H ASP A 21 9.545 0.070 -6.862 1.00 7.50 H new ATOM 0 HA ASP A 21 7.877 1.516 -8.563 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.486 -0.488 -6.333 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.066 0.314 -6.975 1.00 11.00 H new ATOM 339 N THR A 22 6.375 3.109 -7.131 1.00 5.37 N ATOM 340 CA THR A 22 5.443 4.012 -6.429 1.00 6.01 C ATOM 341 C THR A 22 4.379 3.442 -5.603 1.00 8.01 C ATOM 342 O THR A 22 3.895 2.361 -5.946 1.00 8.11 O ATOM 343 CB THR A 22 4.899 5.210 -7.271 1.00 8.92 C ATOM 344 OG1 THR A 22 3.959 4.762 -8.245 1.00 10.22 O ATOM 345 CG2 THR A 22 5.971 6.040 -7.969 1.00 9.65 C ATOM 0 H THR A 22 6.229 3.147 -8.140 1.00 5.37 H new ATOM 0 HA THR A 22 6.161 4.392 -5.702 1.00 6.01 H new ATOM 0 HB THR A 22 4.423 5.863 -6.539 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.118 5.229 -9.092 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.499 6.848 -8.528 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.647 6.461 -7.225 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.534 5.406 -8.653 1.00 9.65 H new ATOM 353 N ILE A 23 3.903 4.216 -4.520 1.00 8.32 N ATOM 354 CA ILE A 23 2.770 3.873 -3.727 1.00 9.92 C ATOM 355 C ILE A 23 1.493 3.718 -4.582 1.00 10.01 C ATOM 356 O ILE A 23 0.675 2.836 -4.299 1.00 8.71 O ATOM 357 CB ILE A 23 2.564 4.771 -2.574 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.807 4.800 -1.654 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.270 4.465 -1.837 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.057 3.456 -1.026 1.00 12.30 C ATOM 0 H ILE A 23 4.347 5.087 -4.230 1.00 8.32 H new ATOM 0 HA ILE A 23 2.993 2.896 -3.298 1.00 9.92 H new ATOM 0 HB ILE A 23 2.446 5.785 -2.956 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.681 5.102 -2.231 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.666 5.548 -0.873 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.159 5.150 -0.996 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.427 4.586 -2.517 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.295 3.439 -1.469 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.937 3.512 -0.386 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.192 3.167 -0.429 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.223 2.714 -1.807 1.00 12.30 H new ATOM 372 N GLU A 24 1.318 4.518 -5.597 1.00 9.54 N ATOM 373 CA GLU A 24 0.247 4.343 -6.539 1.00 11.81 C ATOM 374 C GLU A 24 0.282 3.077 -7.301 1.00 11.14 C ATOM 375 O GLU A 24 -0.750 2.405 -7.376 1.00 10.62 O ATOM 376 CB GLU A 24 0.220 5.505 -7.555 1.00 19.24 C ATOM 377 CG GLU A 24 -0.952 5.557 -8.602 1.00 27.76 C ATOM 378 CD GLU A 24 -0.809 6.738 -9.564 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.227 6.768 -10.253 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.778 7.504 -9.707 1.00 36.51 O ATOM 0 H GLU A 24 1.920 5.317 -5.796 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.650 4.322 -5.920 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.203 6.438 -6.992 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.159 5.484 -8.109 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.972 4.627 -9.170 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.904 5.630 -8.077 1.00 27.76 H new ATOM 387 N ASN A 25 1.497 2.634 -7.783 1.00 9.43 N ATOM 388 CA ASN A 25 1.630 1.276 -8.355 1.00 10.96 C ATOM 389 C ASN A 25 1.357 0.176 -7.358 1.00 9.68 C ATOM 390 O ASN A 25 0.704 -0.763 -7.780 1.00 9.33 O ATOM 391 CB ASN A 25 3.004 1.044 -8.924 1.00 16.78 C ATOM 392 CG ASN A 25 3.099 1.593 -10.388 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.934 0.859 -11.326 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.412 2.873 -10.571 1.00 24.70 N ATOM 0 H ASN A 25 2.355 3.185 -7.781 1.00 9.43 H new ATOM 0 HA ASN A 25 0.876 1.235 -9.141 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.749 1.534 -8.298 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.231 -0.022 -8.915 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.515 3.243 -11.516 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.549 3.485 -9.766 1.00 24.70 H new ATOM 401 N VAL A 26 1.809 0.253 -6.111 1.00 6.52 N ATOM 402 CA VAL A 26 1.326 -0.633 -5.096 1.00 5.53 C ATOM 403 C VAL A 26 -0.248 -0.719 -4.978 1.00 4.42 C ATOM 404 O VAL A 26 -0.759 -1.805 -4.890 1.00 3.40 O ATOM 405 CB VAL A 26 1.936 -0.365 -3.703 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.256 -1.194 -2.657 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.401 -0.720 -3.792 1.00 8.12 C ATOM 0 H VAL A 26 2.508 0.924 -5.794 1.00 6.52 H new ATOM 0 HA VAL A 26 1.672 -1.605 -5.448 1.00 5.53 H new ATOM 0 HB VAL A 26 1.805 0.679 -3.418 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.702 -0.989 -1.684 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.195 -0.946 -2.629 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.376 -2.251 -2.896 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.877 -0.546 -2.827 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.505 -1.770 -4.064 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.880 -0.100 -4.550 1.00 8.12 H new ATOM 417 N LYS A 27 -0.943 0.383 -5.010 1.00 2.64 N ATOM 418 CA LYS A 27 -2.382 0.398 -5.040 1.00 4.14 C ATOM 419 C LYS A 27 -3.102 -0.290 -6.245 1.00 5.58 C ATOM 420 O LYS A 27 -4.180 -0.927 -6.130 1.00 4.11 O ATOM 421 CB LYS A 27 -2.998 1.812 -4.862 1.00 3.97 C ATOM 422 CG LYS A 27 -2.650 2.434 -3.504 1.00 7.45 C ATOM 423 CD LYS A 27 -3.304 3.787 -3.174 1.00 9.02 C ATOM 424 CE LYS A 27 -3.040 4.131 -1.751 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.517 5.538 -1.500 1.00 15.47 N ATOM 0 H LYS A 27 -0.521 1.312 -5.016 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.577 -0.231 -4.171 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.641 2.464 -5.659 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.081 1.749 -4.963 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.926 1.724 -2.724 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.568 2.558 -3.454 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.907 4.564 -3.827 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.378 3.738 -3.354 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.556 3.433 -1.091 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.975 4.048 -1.533 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.054 5.915 -0.649 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.279 6.136 -2.317 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.548 5.536 -1.361 1.00 15.47 H new ATOM 439 N ALA A 28 -2.429 -0.179 -7.469 1.00 6.61 N ATOM 440 CA ALA A 28 -2.719 -0.965 -8.621 1.00 7.74 C ATOM 441 C ALA A 28 -2.547 -2.501 -8.483 1.00 9.17 C ATOM 442 O ALA A 28 -3.457 -3.290 -8.768 1.00 11.45 O ATOM 443 CB ALA A 28 -1.885 -0.353 -9.780 1.00 7.68 C ATOM 0 H ALA A 28 -1.671 0.486 -7.619 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.791 -0.909 -8.812 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.066 -0.916 -10.695 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.178 0.686 -9.929 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.825 -0.399 -9.529 1.00 7.68 H new ATOM 449 N LYS A 29 -1.379 -2.898 -7.943 1.00 8.96 N ATOM 450 CA LYS A 29 -1.081 -4.280 -7.536 1.00 7.90 C ATOM 451 C LYS A 29 -2.090 -4.828 -6.542 1.00 6.92 C ATOM 452 O LYS A 29 -2.539 -5.980 -6.625 1.00 6.87 O ATOM 453 CB LYS A 29 0.448 -4.447 -7.112 1.00 10.28 C ATOM 454 CG LYS A 29 1.481 -4.055 -8.190 1.00 14.94 C ATOM 455 CD LYS A 29 2.863 -3.860 -7.526 1.00 19.69 C ATOM 456 CE LYS A 29 3.938 -3.430 -8.511 1.00 22.63 C ATOM 457 NZ LYS A 29 4.710 -4.660 -8.951 1.00 24.98 N ATOM 0 H LYS A 29 -0.605 -2.255 -7.776 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.205 -4.922 -8.408 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.629 -3.843 -6.223 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.618 -5.486 -6.831 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.538 -4.830 -8.954 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.172 -3.137 -8.690 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.779 -3.112 -6.738 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.166 -4.792 -7.049 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.487 -2.938 -9.373 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.609 -2.708 -8.047 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.439 -4.384 -9.639 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.162 -5.100 -8.124 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.058 -5.340 -9.391 1.00 24.98 H new ATOM 471 N ILE A 30 -2.516 -4.074 -5.556 1.00 4.57 N ATOM 472 CA ILE A 30 -3.587 -4.429 -4.639 1.00 5.58 C ATOM 473 C ILE A 30 -4.925 -4.534 -5.325 1.00 7.26 C ATOM 474 O ILE A 30 -5.633 -5.478 -5.030 1.00 9.46 O ATOM 475 CB ILE A 30 -3.690 -3.612 -3.331 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.422 -3.734 -2.444 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.931 -3.994 -2.447 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.426 -2.718 -1.255 1.00 2.00 C ATOM 0 H ILE A 30 -2.113 -3.158 -5.358 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.280 -5.419 -4.302 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.803 -2.585 -3.679 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.353 -4.748 -2.051 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.536 -3.568 -3.057 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.939 -3.381 -1.546 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.847 -3.821 -3.012 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.870 -5.046 -2.169 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.518 -2.844 -0.665 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.467 -1.701 -1.645 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.296 -2.899 -0.624 1.00 2.00 H new ATOM 490 N GLN A 31 -5.304 -3.640 -6.245 1.00 7.06 N ATOM 491 CA GLN A 31 -6.569 -3.847 -7.005 1.00 8.67 C ATOM 492 C GLN A 31 -6.735 -5.109 -7.747 1.00 10.90 C ATOM 493 O GLN A 31 -7.804 -5.722 -7.793 1.00 9.63 O ATOM 494 CB GLN A 31 -6.618 -2.665 -8.009 1.00 9.12 C ATOM 495 CG GLN A 31 -7.957 -2.504 -8.690 1.00 10.76 C ATOM 496 CD GLN A 31 -7.932 -1.363 -9.718 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.882 -0.869 -10.187 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.122 -0.942 -10.180 1.00 14.76 N ATOM 0 H GLN A 31 -4.786 -2.795 -6.485 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.375 -3.897 -6.273 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.374 -1.742 -7.483 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.849 -2.812 -8.768 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.229 -3.436 -9.186 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.725 -2.305 -7.943 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.984 -1.338 -9.805 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.163 -0.227 -10.906 1.00 14.76 H new ATOM 507 N ASP A 32 -5.616 -5.558 -8.314 1.00 10.93 N ATOM 508 CA ASP A 32 -5.534 -6.781 -9.071 1.00 14.01 C ATOM 509 C ASP A 32 -5.801 -8.125 -8.229 1.00 14.04 C ATOM 510 O ASP A 32 -6.603 -8.989 -8.554 1.00 13.39 O ATOM 511 CB ASP A 32 -4.117 -6.757 -9.708 1.00 18.01 C ATOM 512 CG ASP A 32 -3.951 -7.827 -10.744 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.411 -7.518 -11.911 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.422 -8.920 -10.507 1.00 26.29 O ATOM 0 H ASP A 32 -4.727 -5.061 -8.251 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.333 -6.814 -9.812 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.940 -5.782 -10.162 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.366 -6.887 -8.928 1.00 18.01 H new ATOM 519 N LYS A 33 -5.038 -8.294 -7.107 1.00 14.22 N ATOM 520 CA LYS A 33 -5.155 -9.337 -6.187 1.00 14.00 C ATOM 521 C LYS A 33 -6.342 -9.265 -5.238 1.00 12.37 C ATOM 522 O LYS A 33 -7.030 -10.271 -4.996 1.00 12.17 O ATOM 523 CB LYS A 33 -3.898 -9.254 -5.303 1.00 18.62 C ATOM 524 CG LYS A 33 -3.794 -10.448 -4.385 1.00 24.00 C ATOM 525 CD LYS A 33 -2.507 -10.573 -3.689 1.00 27.61 C ATOM 526 CE LYS A 33 -1.269 -10.910 -4.593 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.540 -12.040 -5.490 1.00 30.06 N ATOM 0 H LYS A 33 -4.298 -7.638 -6.857 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.285 -10.251 -6.767 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.010 -9.199 -5.933 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.926 -8.339 -4.711 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.590 -10.389 -3.642 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.967 -11.353 -4.967 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.307 -9.638 -3.166 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.600 -11.350 -2.930 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.001 -10.034 -5.183 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.411 -11.144 -3.962 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.662 -12.319 -5.972 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.902 -12.843 -4.937 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.249 -11.759 -6.197 1.00 30.06 H new ATOM 541 N GLU A 34 -6.575 -8.100 -4.704 1.00 10.11 N ATOM 542 CA GLU A 34 -7.716 -7.973 -3.765 1.00 10.07 C ATOM 543 C GLU A 34 -9.004 -7.271 -4.191 1.00 9.32 C ATOM 544 O GLU A 34 -10.008 -7.232 -3.461 1.00 11.61 O ATOM 545 CB GLU A 34 -7.154 -7.344 -2.419 1.00 14.77 C ATOM 546 CG GLU A 34 -6.124 -8.164 -1.556 1.00 18.75 C ATOM 547 CD GLU A 34 -6.740 -9.401 -1.141 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.789 -9.379 -0.453 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.223 -10.534 -1.458 1.00 25.19 O ATOM 0 H GLU A 34 -6.038 -7.250 -4.873 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.087 -8.994 -3.679 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.685 -6.393 -2.673 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.009 -7.118 -1.781 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.224 -8.368 -2.136 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.817 -7.585 -0.685 1.00 18.75 H new ATOM 556 N GLY A 35 -9.097 -6.708 -5.441 1.00 7.22 N ATOM 557 CA GLY A 35 -10.336 -6.158 -6.023 1.00 6.29 C ATOM 558 C GLY A 35 -10.913 -4.858 -5.387 1.00 6.93 C ATOM 559 O GLY A 35 -12.116 -4.713 -5.137 1.00 7.41 O ATOM 0 H GLY A 35 -8.295 -6.631 -6.066 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.154 -5.963 -7.080 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.105 -6.929 -5.969 1.00 6.29 H new ATOM 563 N ILE A 36 -10.098 -3.857 -5.171 1.00 5.86 N ATOM 564 CA ILE A 36 -10.412 -2.675 -4.384 1.00 6.07 C ATOM 565 C ILE A 36 -9.947 -1.547 -5.307 1.00 6.36 C ATOM 566 O ILE A 36 -8.771 -1.491 -5.599 1.00 6.18 O ATOM 567 CB ILE A 36 -9.648 -2.493 -3.094 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.479 -3.837 -2.329 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.372 -1.374 -2.329 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.552 -3.748 -1.107 1.00 9.49 C ATOM 0 H ILE A 36 -9.153 -3.836 -5.553 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.460 -2.721 -4.087 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.614 -2.188 -3.255 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.460 -4.184 -2.004 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.087 -4.587 -3.016 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.865 -1.194 -1.381 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.363 -0.461 -2.925 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.403 -1.672 -2.138 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.486 -4.725 -0.628 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.559 -3.433 -1.426 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.953 -3.023 -0.398 1.00 9.49 H new ATOM 582 N PRO A 37 -10.793 -0.587 -5.720 1.00 8.65 N ATOM 583 CA PRO A 37 -10.282 0.627 -6.369 1.00 9.18 C ATOM 584 C PRO A 37 -9.183 1.330 -5.690 1.00 9.85 C ATOM 585 O PRO A 37 -9.265 1.492 -4.433 1.00 8.51 O ATOM 586 CB PRO A 37 -11.533 1.552 -6.417 1.00 11.42 C ATOM 587 CG PRO A 37 -12.698 0.538 -6.621 1.00 9.27 C ATOM 588 CD PRO A 37 -12.266 -0.718 -5.838 1.00 8.33 C ATOM 0 HA PRO A 37 -9.838 0.357 -7.327 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.650 2.124 -5.496 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.474 2.271 -7.234 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.640 0.936 -6.243 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.848 0.314 -7.677 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.742 -0.759 -4.858 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.543 -1.631 -6.365 1.00 8.33 H new ATOM 596 N PRO A 38 -8.087 1.813 -6.358 1.00 8.71 N ATOM 597 CA PRO A 38 -7.028 2.593 -5.716 1.00 9.08 C ATOM 598 C PRO A 38 -7.425 3.859 -4.936 1.00 9.28 C ATOM 599 O PRO A 38 -6.764 4.245 -3.984 1.00 6.50 O ATOM 600 CB PRO A 38 -6.172 3.043 -6.888 1.00 10.31 C ATOM 601 CG PRO A 38 -6.216 1.843 -7.859 1.00 10.81 C ATOM 602 CD PRO A 38 -7.714 1.474 -7.704 1.00 12.00 C ATOM 0 HA PRO A 38 -6.575 1.958 -4.954 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.570 3.946 -7.350 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.152 3.267 -6.576 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.951 2.116 -8.881 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.548 1.034 -7.562 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.323 2.021 -8.424 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.872 0.412 -7.894 1.00 12.00 H new ATOM 610 N ASP A 39 -8.559 4.522 -5.357 1.00 11.20 N ATOM 611 CA ASP A 39 -9.050 5.672 -4.586 1.00 14.96 C ATOM 612 C ASP A 39 -9.751 5.293 -3.275 1.00 13.99 C ATOM 613 O ASP A 39 -9.992 6.152 -2.462 1.00 13.75 O ATOM 614 CB ASP A 39 -10.014 6.480 -5.524 1.00 24.16 C ATOM 615 CG ASP A 39 -9.156 7.088 -6.598 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.600 8.194 -6.405 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.047 6.539 -7.734 1.00 35.55 O ATOM 0 H ASP A 39 -9.108 4.280 -6.182 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.194 6.270 -4.275 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.772 5.827 -5.957 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.541 7.253 -4.965 1.00 24.16 H new ATOM 622 N GLN A 40 -10.091 4.023 -3.028 1.00 11.60 N ATOM 623 CA GLN A 40 -10.621 3.494 -1.851 1.00 10.76 C ATOM 624 C GLN A 40 -9.612 2.791 -0.962 1.00 8.01 C ATOM 625 O GLN A 40 -9.970 2.005 -0.088 1.00 8.96 O ATOM 626 CB GLN A 40 -11.807 2.535 -2.255 1.00 11.14 C ATOM 627 CG GLN A 40 -13.043 3.308 -2.546 1.00 14.85 C ATOM 628 CD GLN A 40 -14.178 2.266 -2.838 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.492 1.403 -1.998 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.793 2.428 -3.978 1.00 18.16 N ATOM 0 H GLN A 40 -9.975 3.304 -3.742 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.972 4.322 -1.236 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.525 1.951 -3.131 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.998 1.827 -1.448 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.310 3.942 -1.700 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.894 3.966 -3.402 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.486 3.155 -4.624 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.580 1.827 -4.223 1.00 18.16 H new ATOM 639 N GLN A 41 -8.289 3.127 -1.166 1.00 6.52 N ATOM 640 CA GLN A 41 -7.218 2.481 -0.504 1.00 3.87 C ATOM 641 C GLN A 41 -6.397 3.562 0.151 1.00 4.79 C ATOM 642 O GLN A 41 -5.912 4.461 -0.529 1.00 6.34 O ATOM 643 CB GLN A 41 -6.350 1.651 -1.435 1.00 4.20 C ATOM 644 CG GLN A 41 -7.050 0.443 -2.036 1.00 3.20 C ATOM 645 CD GLN A 41 -5.980 -0.186 -2.932 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.795 -0.161 -2.520 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.278 -0.628 -4.145 1.00 7.13 N ATOM 0 H GLN A 41 -7.992 3.863 -1.807 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.622 1.775 0.222 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.993 2.289 -2.244 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.472 1.311 -0.886 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.385 -0.251 -1.265 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.931 0.734 -2.608 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.248 -0.640 -4.460 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.537 -0.957 -4.764 1.00 7.13 H new ATOM 656 N ARG A 42 -6.222 3.519 1.465 1.00 5.73 N ATOM 657 CA ARG A 42 -5.263 4.307 2.192 1.00 6.97 C ATOM 658 C ARG A 42 -4.190 3.308 2.625 1.00 7.15 C ATOM 659 O ARG A 42 -4.543 2.225 3.127 1.00 7.33 O ATOM 660 CB ARG A 42 -5.802 4.991 3.500 1.00 13.23 C ATOM 661 CG ARG A 42 -7.064 5.851 3.235 1.00 21.27 C ATOM 662 CD ARG A 42 -7.441 6.674 4.477 1.00 26.14 C ATOM 663 NE ARG A 42 -8.490 7.744 4.115 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.122 8.999 3.871 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.853 9.341 3.725 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.973 9.989 3.784 1.00 36.39 N ATOM 0 H ARG A 42 -6.771 2.907 2.068 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.936 5.120 1.544 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.036 4.224 4.239 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.020 5.619 3.928 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.883 6.519 2.393 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.896 5.205 2.956 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.836 6.016 5.251 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.552 7.152 4.888 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.476 7.487 4.062 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.122 8.633 3.799 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.605 10.313 3.539 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.971 9.816 3.905 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.639 10.934 3.595 1.00 36.39 H new ATOM 680 N LEU A 43 -2.885 3.612 2.487 1.00 4.65 N ATOM 681 CA LEU A 43 -1.784 2.743 2.835 1.00 3.51 C ATOM 682 C LEU A 43 -1.005 3.464 3.895 1.00 5.56 C ATOM 683 O LEU A 43 -0.612 4.599 3.683 1.00 4.19 O ATOM 684 CB LEU A 43 -0.883 2.407 1.573 1.00 3.74 C ATOM 685 CG LEU A 43 -1.572 1.503 0.445 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.707 1.220 -0.797 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.980 0.103 1.041 1.00 6.41 C ATOM 0 H LEU A 43 -2.575 4.509 2.114 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.144 1.781 3.199 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.566 3.345 1.117 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.018 1.900 1.918 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.428 2.096 0.123 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.267 0.601 -1.497 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.441 2.162 -1.278 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.201 0.697 -0.497 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.447 -0.501 0.263 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.091 -0.407 1.412 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.684 0.248 1.860 1.00 6.41 H new ATOM 699 N ILE A 44 -0.858 2.744 4.987 1.00 4.58 N ATOM 700 CA ILE A 44 -0.253 3.122 6.231 1.00 5.55 C ATOM 701 C ILE A 44 1.084 2.339 6.390 1.00 5.46 C ATOM 702 O ILE A 44 1.183 1.206 6.019 1.00 6.04 O ATOM 703 CB ILE A 44 -1.112 2.907 7.408 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.563 3.351 7.114 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.509 3.467 8.806 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.692 4.889 6.832 1.00 13.90 C ATOM 0 H ILE A 44 -1.197 1.782 5.020 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.080 4.197 6.191 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.134 1.832 7.584 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.938 2.797 6.253 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.195 3.089 7.962 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.212 3.262 9.613 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.440 2.973 9.017 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.349 4.542 8.728 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.735 5.136 6.633 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.346 5.449 7.701 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.085 5.152 5.966 1.00 13.90 H new ATOM 718 N PHE A 45 2.189 2.969 6.864 1.00 6.75 N ATOM 719 CA PHE A 45 3.376 2.305 7.298 1.00 4.70 C ATOM 720 C PHE A 45 3.905 3.040 8.543 1.00 6.34 C ATOM 721 O PHE A 45 4.001 4.279 8.523 1.00 5.45 O ATOM 722 CB PHE A 45 4.417 2.293 6.165 1.00 5.51 C ATOM 723 CG PHE A 45 5.770 1.724 6.497 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.844 0.322 6.646 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.934 2.446 6.517 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.050 -0.337 6.863 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.207 1.816 6.772 1.00 6.64 C ATOM 728 CZ PHE A 45 8.239 0.390 6.864 1.00 6.84 C ATOM 0 H PHE A 45 2.248 3.984 6.944 1.00 6.75 H new ATOM 0 HA PHE A 45 3.166 1.267 7.555 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.005 1.726 5.330 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.554 3.317 5.818 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.935 -0.258 6.590 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.898 3.510 6.338 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.065 -1.404 7.029 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.106 2.403 6.889 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.186 -0.125 6.934 1.00 6.84 H new ATOM 738 N ALA A 46 4.069 2.332 9.673 1.00 6.53 N ATOM 739 CA ALA A 46 4.392 2.796 11.018 1.00 7.15 C ATOM 740 C ALA A 46 3.577 4.002 11.475 1.00 9.00 C ATOM 741 O ALA A 46 4.144 5.020 11.845 1.00 11.15 O ATOM 742 CB ALA A 46 5.925 2.923 11.141 1.00 8.99 C ATOM 0 H ALA A 46 3.966 1.317 9.657 1.00 6.53 H new ATOM 0 HA ALA A 46 4.073 2.051 11.747 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.182 3.269 12.142 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.386 1.951 10.964 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.291 3.638 10.404 1.00 8.99 H new ATOM 748 N GLY A 47 2.219 3.968 11.310 1.00 9.35 N ATOM 749 CA GLY A 47 1.354 5.104 11.715 1.00 11.68 C ATOM 750 C GLY A 47 1.167 6.203 10.740 1.00 11.14 C ATOM 751 O GLY A 47 0.344 7.097 11.011 1.00 13.93 O ATOM 0 H GLY A 47 1.715 3.179 10.906 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.371 4.705 11.965 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.767 5.532 12.629 1.00 11.68 H new ATOM 755 N LYS A 48 1.866 6.216 9.616 1.00 10.47 N ATOM 756 CA LYS A 48 1.856 7.271 8.636 1.00 8.82 C ATOM 757 C LYS A 48 1.237 6.862 7.359 1.00 7.68 C ATOM 758 O LYS A 48 1.547 5.820 6.806 1.00 6.47 O ATOM 759 CB LYS A 48 3.301 7.867 8.372 1.00 9.74 C ATOM 760 CG LYS A 48 3.478 9.068 7.375 1.00 14.14 C ATOM 761 CD LYS A 48 4.974 9.302 7.125 1.00 16.32 C ATOM 762 CE LYS A 48 5.613 9.894 8.310 1.00 20.04 C ATOM 763 NZ LYS A 48 6.968 10.217 7.827 1.00 23.92 N ATOM 0 H LYS A 48 2.485 5.448 9.357 1.00 10.47 H new ATOM 0 HA LYS A 48 1.237 8.056 9.070 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.704 8.181 9.335 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.929 7.051 8.014 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.969 8.854 6.435 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.021 9.968 7.787 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.459 8.357 6.878 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.106 9.961 6.267 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.084 10.783 8.653 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.638 9.196 9.147 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.517 10.649 8.597 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.440 9.346 7.511 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.903 10.884 7.032 1.00 23.92 H new ATOM 777 N GLN A 49 0.261 7.703 6.866 1.00 8.89 N ATOM 778 CA GLN A 49 -0.210 7.516 5.508 1.00 7.18 C ATOM 779 C GLN A 49 0.891 7.867 4.465 1.00 8.23 C ATOM 780 O GLN A 49 1.421 8.963 4.461 1.00 9.70 O ATOM 781 CB GLN A 49 -1.456 8.305 5.323 1.00 11.67 C ATOM 782 CG GLN A 49 -2.121 7.818 3.938 1.00 15.82 C ATOM 783 CD GLN A 49 -3.408 8.506 3.532 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.444 7.857 3.292 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.314 9.856 3.455 1.00 20.67 N ATOM 0 H GLN A 49 -0.174 8.467 7.383 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.440 6.464 5.339 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.140 8.146 6.156 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.236 9.372 5.291 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.392 7.959 3.140 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.313 6.747 4.009 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.430 10.319 3.667 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.127 10.409 3.185 1.00 20.67 H new ATOM 794 N LEU A 50 1.066 6.969 3.464 1.00 6.51 N ATOM 795 CA LEU A 50 2.023 7.034 2.411 1.00 7.41 C ATOM 796 C LEU A 50 1.399 7.783 1.206 1.00 8.27 C ATOM 797 O LEU A 50 0.183 7.615 0.854 1.00 8.34 O ATOM 798 CB LEU A 50 2.627 5.694 2.018 1.00 7.13 C ATOM 799 CG LEU A 50 3.288 4.807 3.119 1.00 7.53 C ATOM 800 CD1 LEU A 50 4.150 3.711 2.554 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.177 5.704 4.081 1.00 9.11 C ATOM 0 H LEU A 50 0.484 6.134 3.397 1.00 6.51 H new ATOM 0 HA LEU A 50 2.880 7.594 2.786 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.840 5.104 1.549 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.380 5.885 1.254 1.00 7.13 H new ATOM 0 HG LEU A 50 2.470 4.340 3.667 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.581 3.130 3.369 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.544 3.059 1.925 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.951 4.149 1.958 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.634 5.075 4.846 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.958 6.196 3.501 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.550 6.458 4.558 1.00 9.11 H new ATOM 813 N GLU A 51 2.298 8.614 0.597 1.00 9.43 N ATOM 814 CA GLU A 51 1.889 9.394 -0.548 1.00 11.90 C ATOM 815 C GLU A 51 2.082 8.731 -1.877 1.00 11.49 C ATOM 816 O GLU A 51 3.153 8.258 -2.251 1.00 9.88 O ATOM 817 CB GLU A 51 2.547 10.807 -0.550 1.00 16.56 C ATOM 818 CG GLU A 51 2.075 11.600 0.700 1.00 26.06 C ATOM 819 CD GLU A 51 2.651 13.001 0.862 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.847 13.176 0.811 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.961 14.017 1.136 1.00 32.13 O ATOM 0 H GLU A 51 3.268 8.739 0.887 1.00 9.43 H new ATOM 0 HA GLU A 51 0.811 9.492 -0.424 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.633 10.714 -0.546 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.276 11.345 -1.459 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.988 11.678 0.667 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.326 11.021 1.589 1.00 26.06 H new ATOM 828 N ASP A 52 1.019 8.761 -2.651 1.00 12.71 N ATOM 829 CA ASP A 52 0.724 8.103 -3.957 1.00 16.56 C ATOM 830 C ASP A 52 1.821 8.281 -5.058 1.00 15.83 C ATOM 831 O ASP A 52 2.243 7.283 -5.634 1.00 17.21 O ATOM 832 CB ASP A 52 -0.643 8.446 -4.471 1.00 21.05 C ATOM 833 CG ASP A 52 -1.585 8.301 -3.374 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.617 9.171 -2.466 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.364 7.305 -3.374 1.00 28.37 O ATOM 0 H ASP A 52 0.216 9.319 -2.360 1.00 12.71 H new ATOM 0 HA ASP A 52 0.741 7.038 -3.725 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.661 9.466 -4.856 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.916 7.789 -5.297 1.00 21.05 H new ATOM 840 N GLY A 53 2.351 9.492 -5.303 1.00 15.00 N ATOM 841 CA GLY A 53 3.422 9.626 -6.352 1.00 11.77 C ATOM 842 C GLY A 53 4.842 9.290 -5.771 1.00 11.10 C ATOM 843 O GLY A 53 5.788 9.349 -6.524 1.00 11.25 O ATOM 0 H GLY A 53 2.087 10.356 -4.830 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.202 8.959 -7.186 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.421 10.642 -6.747 1.00 11.77 H new ATOM 847 N ARG A 54 5.047 8.943 -4.527 1.00 8.53 N ATOM 848 CA ARG A 54 6.349 8.531 -3.929 1.00 9.05 C ATOM 849 C ARG A 54 6.593 7.111 -4.077 1.00 8.96 C ATOM 850 O ARG A 54 5.672 6.366 -4.297 1.00 11.60 O ATOM 851 CB ARG A 54 6.483 9.009 -2.438 1.00 7.97 C ATOM 852 CG ARG A 54 6.252 10.551 -2.254 1.00 9.62 C ATOM 853 CD ARG A 54 7.314 11.354 -2.892 1.00 12.20 C ATOM 854 NE ARG A 54 6.916 12.690 -2.488 1.00 18.23 N ATOM 855 CZ ARG A 54 7.790 13.615 -1.958 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.125 13.427 -1.873 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.266 14.722 -1.381 1.00 23.38 N ATOM 0 H ARG A 54 4.289 8.930 -3.845 1.00 8.53 H new ATOM 0 HA ARG A 54 7.133 9.037 -4.493 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.764 8.466 -1.824 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.476 8.751 -2.070 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.287 10.825 -2.679 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.210 10.786 -1.190 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.307 11.090 -2.529 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.328 11.236 -3.975 1.00 12.20 H new ATOM 0 HE ARG A 54 5.939 12.959 -2.602 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.541 12.560 -2.213 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.717 14.152 -1.469 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.255 14.850 -1.349 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.883 15.428 -0.978 1.00 23.38 H new ATOM 871 N THR A 55 7.890 6.674 -3.847 1.00 9.05 N ATOM 872 CA THR A 55 8.182 5.255 -3.847 1.00 9.03 C ATOM 873 C THR A 55 8.404 4.614 -2.457 1.00 8.15 C ATOM 874 O THR A 55 8.493 5.383 -1.467 1.00 5.91 O ATOM 875 CB THR A 55 9.535 5.040 -4.585 1.00 11.15 C ATOM 876 OG1 THR A 55 10.636 5.633 -3.995 1.00 11.95 O ATOM 877 CG2 THR A 55 9.419 5.599 -5.993 1.00 11.71 C ATOM 0 H THR A 55 8.689 7.283 -3.671 1.00 9.05 H new ATOM 0 HA THR A 55 7.307 4.794 -4.305 1.00 9.03 H new ATOM 0 HB THR A 55 9.707 3.964 -4.555 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.404 6.541 -3.709 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.362 5.454 -6.521 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.622 5.081 -6.526 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.190 6.664 -5.944 1.00 11.71 H new ATOM 885 N LEU A 56 8.509 3.271 -2.394 1.00 6.91 N ATOM 886 CA LEU A 56 9.090 2.563 -1.284 1.00 8.29 C ATOM 887 C LEU A 56 10.405 3.079 -0.769 1.00 8.05 C ATOM 888 O LEU A 56 10.644 3.063 0.441 1.00 10.17 O ATOM 889 CB LEU A 56 9.224 1.092 -1.758 1.00 6.60 C ATOM 890 CG LEU A 56 7.923 0.470 -2.232 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.167 -1.035 -2.391 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.805 0.554 -1.225 1.00 8.64 C ATOM 0 H LEU A 56 8.180 2.656 -3.138 1.00 6.91 H new ATOM 0 HA LEU A 56 8.436 2.696 -0.422 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.951 1.048 -2.569 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.623 0.493 -0.939 1.00 6.60 H new ATOM 0 HG LEU A 56 7.639 1.004 -3.139 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.251 -1.518 -2.732 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.958 -1.200 -3.123 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.466 -1.458 -1.432 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.909 0.089 -1.636 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.097 0.035 -0.312 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.599 1.600 -0.997 1.00 8.64 H new ATOM 904 N SER A 57 11.343 3.601 -1.670 1.00 8.92 N ATOM 905 CA SER A 57 12.632 4.097 -1.203 1.00 9.00 C ATOM 906 C SER A 57 12.586 5.277 -0.278 1.00 9.44 C ATOM 907 O SER A 57 13.278 5.404 0.734 1.00 10.91 O ATOM 908 CB SER A 57 13.533 4.483 -2.382 1.00 10.32 C ATOM 909 OG SER A 57 14.910 4.587 -2.084 1.00 13.59 O ATOM 0 H SER A 57 11.198 3.669 -2.677 1.00 8.92 H new ATOM 0 HA SER A 57 13.026 3.255 -0.633 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.405 3.744 -3.173 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.192 5.438 -2.780 1.00 10.32 H new ATOM 0 HG SER A 57 15.402 4.835 -2.894 1.00 13.59 H new ATOM 915 N ASP A 58 11.639 6.192 -0.608 1.00 9.11 N ATOM 916 CA ASP A 58 11.436 7.408 0.129 1.00 7.91 C ATOM 917 C ASP A 58 11.061 7.186 1.679 1.00 9.12 C ATOM 918 O ASP A 58 11.440 7.972 2.589 1.00 8.61 O ATOM 919 CB ASP A 58 10.287 8.137 -0.570 1.00 8.41 C ATOM 920 CG ASP A 58 10.573 8.613 -1.972 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.261 9.676 -2.073 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.211 7.998 -3.006 1.00 11.70 O ATOM 0 H ASP A 58 11.006 6.081 -1.400 1.00 9.11 H new ATOM 0 HA ASP A 58 12.369 7.971 0.137 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.424 7.472 -0.601 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.005 8.998 0.036 1.00 8.41 H new ATOM 927 N TYR A 59 10.312 6.103 1.920 1.00 7.97 N ATOM 928 CA TYR A 59 9.883 5.771 3.291 1.00 8.45 C ATOM 929 C TYR A 59 10.738 4.667 3.962 1.00 10.98 C ATOM 930 O TYR A 59 10.270 4.141 5.016 1.00 12.95 O ATOM 931 CB TYR A 59 8.426 5.294 3.250 1.00 7.94 C ATOM 932 CG TYR A 59 7.566 6.345 2.674 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.473 7.604 3.331 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.777 6.266 1.462 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.675 8.615 2.853 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.056 7.285 0.962 1.00 6.52 C ATOM 937 CZ TYR A 59 5.927 8.481 1.713 1.00 6.76 C ATOM 938 OH TYR A 59 5.020 9.510 1.369 1.00 7.63 O ATOM 0 H TYR A 59 9.994 5.451 1.203 1.00 7.97 H new ATOM 0 HA TYR A 59 10.005 6.677 3.885 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.350 4.384 2.655 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.087 5.047 4.256 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.046 7.769 4.231 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.767 5.329 0.926 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.636 9.548 3.395 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.579 7.193 -0.003 1.00 6.52 H new ATOM 0 HH TYR A 59 5.474 10.171 0.805 1.00 7.63 H new ATOM 948 N ASN A 60 11.907 4.233 3.369 1.00 12.38 N ATOM 949 CA ASN A 60 12.796 3.224 3.895 1.00 13.94 C ATOM 950 C ASN A 60 12.080 1.886 4.031 1.00 14.16 C ATOM 951 O ASN A 60 12.088 1.267 5.075 1.00 14.26 O ATOM 952 CB ASN A 60 13.566 3.599 5.209 1.00 19.23 C ATOM 953 CG ASN A 60 14.134 4.948 5.156 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.636 5.918 5.766 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.366 5.065 4.654 1.00 24.09 N ATOM 0 H ASN A 60 12.233 4.614 2.481 1.00 12.38 H new ATOM 0 HA ASN A 60 13.586 3.145 3.148 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.887 3.527 6.058 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.365 2.877 5.377 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.884 5.936 4.772 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.789 4.284 4.153 1.00 24.09 H new ATOM 962 N ILE A 61 11.279 1.428 2.996 1.00 11.08 N ATOM 963 CA ILE A 61 10.613 0.117 2.889 1.00 11.78 C ATOM 964 C ILE A 61 11.503 -0.813 1.984 1.00 13.74 C ATOM 965 O ILE A 61 11.680 -0.536 0.772 1.00 14.60 O ATOM 966 CB ILE A 61 9.181 0.184 2.367 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.320 1.148 3.199 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.618 -1.228 2.154 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.304 1.830 2.319 1.00 11.42 C ATOM 0 H ILE A 61 11.087 2.014 2.184 1.00 11.08 H new ATOM 0 HA ILE A 61 10.519 -0.291 3.896 1.00 11.78 H new ATOM 0 HB ILE A 61 9.165 0.633 1.374 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.814 0.601 3.995 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.955 1.893 3.678 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.596 -1.160 1.782 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.234 -1.760 1.429 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.624 -1.769 3.100 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.700 2.510 2.920 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.817 2.393 1.539 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.659 1.081 1.860 1.00 11.42 H new ATOM 981 N GLN A 62 12.043 -1.854 2.616 1.00 13.97 N ATOM 982 CA GLN A 62 12.804 -2.949 2.116 1.00 15.52 C ATOM 983 C GLN A 62 11.973 -4.291 2.068 1.00 13.94 C ATOM 984 O GLN A 62 10.818 -4.308 2.469 1.00 12.15 O ATOM 985 CB GLN A 62 14.039 -3.187 3.077 1.00 19.53 C ATOM 986 CG GLN A 62 15.025 -2.056 3.170 1.00 26.38 C ATOM 987 CD GLN A 62 14.693 -0.745 3.924 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.714 0.304 3.297 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.519 -0.889 5.231 1.00 32.71 N ATOM 0 H GLN A 62 11.928 -1.939 3.626 1.00 13.97 H new ATOM 0 HA GLN A 62 13.111 -2.696 1.101 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.661 -3.397 4.078 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.569 -4.079 2.742 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.928 -2.462 3.625 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.281 -1.776 2.148 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.520 -1.821 5.646 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.384 -0.068 5.821 1.00 32.71 H new ATOM 998 N LYS A 63 12.541 -5.348 1.486 1.00 11.73 N ATOM 999 CA LYS A 63 12.107 -6.764 1.473 1.00 11.97 C ATOM 1000 C LYS A 63 11.645 -7.350 2.787 1.00 10.41 C ATOM 1001 O LYS A 63 12.292 -7.168 3.809 1.00 9.59 O ATOM 1002 CB LYS A 63 13.356 -7.577 0.995 1.00 13.73 C ATOM 1003 CG LYS A 63 13.199 -9.084 0.870 1.00 16.98 C ATOM 1004 CD LYS A 63 14.471 -9.651 0.305 1.00 20.19 C ATOM 1005 CE LYS A 63 14.445 -11.140 0.108 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.665 -11.446 -0.660 1.00 25.97 N ATOM 0 H LYS A 63 13.405 -5.232 0.956 1.00 11.73 H new ATOM 0 HA LYS A 63 11.228 -6.819 0.831 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.661 -7.188 0.024 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.173 -7.379 1.688 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.988 -9.525 1.844 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.356 -9.325 0.222 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.676 -9.172 -0.653 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.296 -9.398 0.971 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.439 -11.664 1.064 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.551 -11.451 -0.432 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.716 -12.470 -0.837 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.640 -10.939 -1.568 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.501 -11.146 -0.118 1.00 25.97 H new ATOM 1020 N GLU A 64 10.449 -7.997 2.746 1.00 10.04 N ATOM 1021 CA GLU A 64 9.801 -8.727 3.844 1.00 10.94 C ATOM 1022 C GLU A 64 9.540 -7.813 4.982 1.00 9.74 C ATOM 1023 O GLU A 64 9.858 -8.054 6.117 1.00 9.42 O ATOM 1024 CB GLU A 64 10.614 -9.908 4.345 1.00 18.31 C ATOM 1025 CG GLU A 64 10.813 -11.048 3.145 1.00 24.16 C ATOM 1026 CD GLU A 64 11.597 -12.223 3.606 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.203 -12.246 4.670 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.559 -13.238 2.877 1.00 31.72 O ATOM 0 H GLU A 64 9.889 -8.018 1.894 1.00 10.04 H new ATOM 0 HA GLU A 64 8.869 -9.118 3.436 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.589 -9.563 4.689 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.115 -10.360 5.202 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.835 -11.381 2.798 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.316 -10.591 2.293 1.00 24.16 H new ATOM 1035 N SER A 65 8.813 -6.712 4.620 1.00 6.85 N ATOM 1036 CA SER A 65 8.512 -5.598 5.499 1.00 6.90 C ATOM 1037 C SER A 65 7.032 -5.365 5.449 1.00 4.72 C ATOM 1038 O SER A 65 6.418 -5.743 4.451 1.00 3.91 O ATOM 1039 CB SER A 65 9.237 -4.317 5.050 1.00 7.28 C ATOM 1040 OG SER A 65 9.322 -3.320 6.065 1.00 10.56 O ATOM 0 H SER A 65 8.424 -6.597 3.684 1.00 6.85 H new ATOM 0 HA SER A 65 8.847 -5.836 6.509 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.244 -4.576 4.723 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.718 -3.900 4.187 1.00 7.28 H new ATOM 0 HG SER A 65 9.794 -2.536 5.715 1.00 10.56 H new ATOM 1046 N THR A 66 6.366 -4.894 6.518 1.00 4.48 N ATOM 1047 CA THR A 66 4.866 -5.053 6.668 1.00 3.80 C ATOM 1048 C THR A 66 4.204 -3.645 6.665 1.00 4.60 C ATOM 1049 O THR A 66 4.665 -2.674 7.273 1.00 5.33 O ATOM 1050 CB THR A 66 4.392 -5.873 7.915 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.130 -7.061 8.013 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.920 -6.244 7.792 1.00 3.40 C ATOM 0 H THR A 66 6.814 -4.404 7.293 1.00 4.48 H new ATOM 0 HA THR A 66 4.545 -5.650 5.814 1.00 3.80 H new ATOM 0 HB THR A 66 4.542 -5.252 8.798 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.830 -7.569 8.796 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.614 -6.813 8.670 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.321 -5.336 7.721 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.771 -6.849 6.897 1.00 3.40 H new ATOM 1060 N LEU A 67 3.099 -3.544 5.963 1.00 4.17 N ATOM 1061 CA LEU A 67 2.456 -2.295 5.654 1.00 3.85 C ATOM 1062 C LEU A 67 1.001 -2.531 5.850 1.00 3.80 C ATOM 1063 O LEU A 67 0.473 -3.656 5.934 1.00 5.54 O ATOM 1064 CB LEU A 67 2.665 -1.922 4.161 1.00 7.18 C ATOM 1065 CG LEU A 67 4.180 -1.648 3.888 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.844 -2.868 3.198 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.317 -0.380 2.967 1.00 11.66 C ATOM 0 H LEU A 67 2.611 -4.355 5.582 1.00 4.17 H new ATOM 0 HA LEU A 67 2.859 -1.497 6.278 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.312 -2.731 3.522 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.076 -1.039 3.912 1.00 7.18 H new ATOM 0 HG LEU A 67 4.684 -1.475 4.839 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.898 -2.655 3.018 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.756 -3.743 3.842 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.346 -3.065 2.249 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.371 -0.184 2.773 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.801 -0.558 2.023 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.873 0.482 3.466 1.00 11.66 H new ATOM 1079 N HIS A 68 0.179 -1.463 5.998 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.159 -1.629 6.553 1.00 4.17 C ATOM 1081 C HIS A 68 -2.151 -0.893 5.685 1.00 5.32 C ATOM 1082 O HIS A 68 -1.984 0.254 5.309 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.332 -1.134 8.012 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.180 -2.306 8.993 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.041 -3.112 8.939 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.896 -2.797 10.038 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.080 -3.967 9.977 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.193 -3.842 10.628 1.00 16.30 N ATOM 0 H HIS A 68 0.423 -0.506 5.744 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.333 -2.705 6.570 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.590 -0.367 8.233 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.313 -0.674 8.133 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.860 -2.433 10.360 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.707 -4.661 10.232 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.497 -4.404 11.423 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.242 -1.572 5.230 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.194 -0.959 4.338 1.00 3.97 C ATOM 1098 C LEU A 69 -5.372 -0.570 5.212 1.00 5.07 C ATOM 1099 O LEU A 69 -5.743 -1.269 6.130 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.592 -1.989 3.256 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.940 -1.835 2.523 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.871 -0.543 1.677 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.345 -3.089 1.702 1.00 9.96 C ATOM 0 H LEU A 69 -3.459 -2.537 5.480 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.803 -0.084 3.819 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.807 -1.989 2.500 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.585 -2.974 3.723 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.742 -1.747 3.256 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.812 -0.406 1.145 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.696 0.311 2.331 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.056 -0.622 0.958 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.303 -2.910 1.213 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.585 -3.291 0.947 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.432 -3.947 2.368 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.034 0.582 4.916 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.297 0.878 5.467 1.00 6.26 C ATOM 1117 C VAL A 70 -8.314 1.097 4.360 1.00 9.22 C ATOM 1118 O VAL A 70 -8.017 1.850 3.423 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.277 2.206 6.229 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.674 2.433 6.914 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.189 2.252 7.416 1.00 8.54 C ATOM 0 H VAL A 70 -5.672 1.299 4.288 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.548 0.040 6.117 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.029 2.967 5.489 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.663 3.378 7.458 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.453 2.462 6.152 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.876 1.617 7.608 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.232 3.222 7.911 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.406 1.466 8.139 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.192 2.100 7.002 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.510 0.433 4.431 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.514 0.739 3.469 1.00 16.06 C ATOM 1133 C LEU A 71 -11.027 2.172 3.560 1.00 18.09 C ATOM 1134 O LEU A 71 -11.304 2.674 4.640 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.668 -0.237 3.368 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.316 -1.714 3.151 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.575 -2.550 3.239 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.699 -1.874 1.729 1.00 19.57 C ATOM 0 H LEU A 71 -9.756 -0.275 5.122 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.965 0.626 2.534 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.257 -0.160 4.282 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.310 0.082 2.547 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.607 -2.042 3.911 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.326 -3.600 3.085 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.027 -2.425 4.223 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.280 -2.228 2.472 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.443 -2.920 1.559 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.422 -1.551 0.980 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.800 -1.263 1.652 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.286 2.786 2.381 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.863 4.126 2.305 1.00 25.83 C ATOM 1152 C ARG A 72 -13.167 3.930 1.555 1.00 27.74 C ATOM 1153 O ARG A 72 -13.318 3.062 0.770 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.862 5.158 1.615 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.325 6.579 1.332 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.283 7.392 0.623 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.819 8.740 0.493 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.197 9.878 0.168 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.924 9.832 -0.003 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.895 10.962 0.090 1.00 35.02 N ATOM 0 H ARG A 72 -11.099 2.362 1.472 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.045 4.572 3.283 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.975 5.223 2.246 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.547 4.723 0.667 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.231 6.549 0.727 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.585 7.067 2.271 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.349 7.400 1.186 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.062 6.968 -0.356 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.818 8.829 0.677 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.426 8.949 0.110 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.412 10.678 -0.252 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.898 10.937 0.275 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.443 11.843 -0.156 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.179 4.748 1.790 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.453 4.666 1.091 1.00 30.76 C ATOM 1176 C LEU A 73 -15.360 5.411 -0.251 1.00 32.18 C ATOM 1177 O LEU A 73 -14.634 6.402 -0.418 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.426 5.435 2.024 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.913 4.611 3.164 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.682 5.396 4.253 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.768 3.431 2.739 1.00 29.11 C ATOM 0 H LEU A 73 -14.140 5.498 2.480 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.759 3.640 0.884 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.924 6.321 2.412 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.280 5.782 1.442 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.981 4.250 3.599 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.997 4.712 5.041 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.033 6.163 4.676 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.559 5.868 3.810 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.087 2.876 3.621 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.644 3.792 2.201 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.187 2.776 2.089 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.214 5.019 -1.207 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.436 5.694 -2.484 1.00 35.33 C ATOM 1195 C ARG A 74 -16.914 7.111 -2.360 1.00 36.22 C ATOM 1196 O ARG A 74 -16.308 8.047 -2.867 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.425 4.884 -3.400 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.423 5.245 -4.892 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.389 4.603 -5.906 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.920 3.165 -6.019 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.994 2.715 -6.876 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.336 3.500 -7.734 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.685 1.437 -6.889 1.00 41.93 N ATOM 0 H ARG A 74 -16.792 4.185 -1.102 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.450 5.734 -2.947 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.189 3.824 -3.304 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.436 5.021 -3.017 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.581 6.322 -4.951 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.415 5.050 -5.257 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.421 4.658 -5.560 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.348 5.111 -6.870 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.345 2.484 -5.390 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.529 4.501 -7.760 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.641 3.098 -8.363 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.150 0.793 -6.249 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.981 1.089 -7.540 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.949 7.321 -1.488 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.448 8.676 -1.198 1.00 36.07 C ATOM 1219 C GLY A 75 -17.628 9.543 -0.367 1.00 36.16 C ATOM 1220 O GLY A 75 -17.981 10.713 -0.170 1.00 36.26 O ATOM 0 H GLY A 75 -18.436 6.576 -0.990 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.611 9.182 -2.149 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.422 8.577 -0.718 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.443 9.074 0.077 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.656 9.747 1.115 1.00 36.19 C ATOM 1226 C GLY A 76 -14.113 9.690 0.956 1.00 36.20 C ATOM 1227 O GLY A 76 -13.607 10.221 -0.062 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.431 9.177 1.866 1.00 0.00 O ATOM 0 H GLY A 76 -16.012 8.220 -0.277 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.958 10.794 1.148 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.917 9.310 2.079 1.00 36.19 H new TER 1232 GLY A 76