USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 690 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= -0.512 USER MOD Set 2.1: A 39 HIS : +bothHN:sc= -8.9! C(o=-16!,f=-21!) USER MOD Set 2.2: A 40 ASN : amide:sc= -5.41! C(o=-16!,f=-23!) USER MOD Set 2.3: A 82 CYS SG : rot -151:sc= -1.37 USER MOD Set 2.4: A 85 HIS : no HD1:sc= -0.744 X(o=-16,f=-16) USER MOD Set 3.1: A 28 THR OG1 : rot -74:sc= 0.787 USER MOD Set 3.2: A 71 THR OG1 : rot -159:sc= -0.257 USER MOD Single : A 2 SER OG : rot 36:sc= 0.0177 USER MOD Single : A 4 GLN : amide:sc= -0.0821 K(o=-0.082,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 157:sc= -1.57 (180deg=-2.26!) USER MOD Single : A 9 THR OG1 : rot 99:sc= -5.55! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 150:sc= -3.22! (180deg=-3.54!) USER MOD Single : A 34 ASN : amide:sc= -2.98! C(o=-3!,f=-5!) USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= -0.452 (180deg=-1.09) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 0:sc= 0.34 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -61:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -98:sc= 0.185 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.719 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 78 TYR OH : rot 17:sc= 0.73 USER MOD Single : A 79 SER OG : rot 50:sc= 0.102 USER MOD Single : A 81 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 90 MET CE :methyl 146:sc= -0.78! (180deg=-4.12!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.79! USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -12.126 -8.615 -3.440 1.00 0.00 N ATOM 12 CA SER A 2 -11.227 -7.554 -3.862 1.00 0.00 C ATOM 13 C SER A 2 -11.367 -6.349 -2.929 1.00 0.00 C ATOM 14 O SER A 2 -12.451 -5.784 -2.796 1.00 0.00 O ATOM 15 CB SER A 2 -11.504 -7.140 -5.308 1.00 0.00 C ATOM 16 OG SER A 2 -11.287 -8.212 -6.221 1.00 0.00 O ATOM 0 HA SER A 2 -10.205 -7.930 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.534 -6.793 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.861 -6.301 -5.574 1.00 0.00 H new ATOM 0 HG SER A 2 -11.566 -9.056 -5.807 1.00 0.00 H new ATOM 22 N VAL A 3 -10.253 -5.991 -2.307 1.00 0.00 N ATOM 23 CA VAL A 3 -10.237 -4.863 -1.390 1.00 0.00 C ATOM 24 C VAL A 3 -9.436 -3.718 -2.013 1.00 0.00 C ATOM 25 O VAL A 3 -8.890 -3.858 -3.106 1.00 0.00 O ATOM 26 CB VAL A 3 -9.694 -5.303 -0.030 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.826 -5.760 0.892 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.639 -6.399 -0.188 1.00 0.00 C ATOM 0 H VAL A 3 -9.355 -6.462 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.248 -4.495 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.214 -4.441 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.412 -6.067 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.525 -4.938 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.349 -6.601 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.270 -6.693 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.083 -7.263 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.811 -6.023 -0.789 1.00 0.00 H new ATOM 38 N GLN A 4 -9.391 -2.608 -1.290 1.00 0.00 N ATOM 39 CA GLN A 4 -8.666 -1.439 -1.756 1.00 0.00 C ATOM 40 C GLN A 4 -7.929 -0.772 -0.593 1.00 0.00 C ATOM 41 O GLN A 4 -8.257 -1.005 0.569 1.00 0.00 O ATOM 42 CB GLN A 4 -9.607 -0.450 -2.447 1.00 0.00 C ATOM 43 CG GLN A 4 -10.859 -0.202 -1.602 1.00 0.00 C ATOM 44 CD GLN A 4 -11.982 0.400 -2.449 1.00 0.00 C ATOM 45 OE1 GLN A 4 -11.955 0.377 -3.668 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.968 0.938 -1.736 1.00 0.00 N ATOM 0 H GLN A 4 -9.846 -2.494 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.928 -1.763 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.087 0.493 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.894 -0.838 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.195 -1.140 -1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.619 0.471 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.927 0.923 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.765 1.365 -2.208 1.00 0.00 H new ATOM 55 N ILE A 5 -6.945 0.043 -0.948 1.00 0.00 N ATOM 56 CA ILE A 5 -6.158 0.744 0.053 1.00 0.00 C ATOM 57 C ILE A 5 -6.238 2.250 -0.207 1.00 0.00 C ATOM 58 O ILE A 5 -5.831 2.723 -1.267 1.00 0.00 O ATOM 59 CB ILE A 5 -4.729 0.200 0.087 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.658 -1.110 0.875 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.757 1.249 0.631 1.00 0.00 C ATOM 62 CD1 ILE A 5 -5.146 -0.912 2.311 1.00 0.00 C ATOM 0 H ILE A 5 -6.675 0.233 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.564 0.570 1.050 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.424 -0.023 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.266 -1.869 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.632 -1.479 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.748 0.837 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.780 2.132 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.050 1.526 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.085 -1.858 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.521 -0.170 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.180 -0.567 2.300 1.00 0.00 H new ATOM 74 N LYS A 6 -6.764 2.961 0.779 1.00 0.00 N ATOM 75 CA LYS A 6 -6.902 4.403 0.671 1.00 0.00 C ATOM 76 C LYS A 6 -5.696 5.077 1.331 1.00 0.00 C ATOM 77 O LYS A 6 -5.355 4.769 2.471 1.00 0.00 O ATOM 78 CB LYS A 6 -8.248 4.857 1.240 1.00 0.00 C ATOM 79 CG LYS A 6 -9.256 5.121 0.120 1.00 0.00 C ATOM 80 CD LYS A 6 -10.631 5.470 0.692 1.00 0.00 C ATOM 81 CE LYS A 6 -11.393 4.208 1.099 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.746 4.203 0.498 1.00 0.00 N ATOM 0 H LYS A 6 -7.100 2.565 1.657 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.906 4.708 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.638 4.094 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.110 5.762 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.901 5.938 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.336 4.240 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.514 6.123 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.207 6.024 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.842 3.324 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.471 4.157 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.250 3.339 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.274 5.037 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.666 4.229 -0.539 1.00 0.00 H new ATOM 96 N MET A 7 -5.085 5.984 0.584 1.00 0.00 N ATOM 97 CA MET A 7 -3.925 6.705 1.081 1.00 0.00 C ATOM 98 C MET A 7 -4.295 8.138 1.468 1.00 0.00 C ATOM 99 O MET A 7 -4.397 9.011 0.607 1.00 0.00 O ATOM 100 CB MET A 7 -2.839 6.730 0.004 1.00 0.00 C ATOM 101 CG MET A 7 -2.227 5.341 -0.191 1.00 0.00 C ATOM 102 SD MET A 7 -3.003 4.521 -1.573 1.00 0.00 S ATOM 103 CE MET A 7 -2.021 5.174 -2.912 1.00 0.00 C ATOM 0 H MET A 7 -5.371 6.237 -0.362 1.00 0.00 H new ATOM 0 HA MET A 7 -3.555 6.193 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.263 7.080 -0.937 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.060 7.438 0.285 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.154 5.428 -0.365 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.356 4.747 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.074 4.498 -3.765 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.404 6.153 -3.200 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.984 5.270 -2.589 1.00 0.00 H new ATOM 113 N GLY A 8 -4.484 8.338 2.764 1.00 0.00 N ATOM 114 CA GLY A 8 -4.839 9.651 3.275 1.00 0.00 C ATOM 115 C GLY A 8 -6.288 9.673 3.768 1.00 0.00 C ATOM 116 O GLY A 8 -7.171 9.094 3.137 1.00 0.00 O ATOM 0 H GLY A 8 -4.398 7.612 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.169 9.921 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.706 10.398 2.493 1.00 0.00 H new ATOM 120 N THR A 9 -6.487 10.348 4.891 1.00 0.00 N ATOM 121 CA THR A 9 -7.813 10.454 5.475 1.00 0.00 C ATOM 122 C THR A 9 -8.444 11.803 5.126 1.00 0.00 C ATOM 123 O THR A 9 -7.740 12.749 4.776 1.00 0.00 O ATOM 124 CB THR A 9 -7.688 10.213 6.981 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.538 10.967 7.358 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.310 8.767 7.313 1.00 0.00 C ATOM 0 H THR A 9 -5.752 10.827 5.412 1.00 0.00 H new ATOM 0 HA THR A 9 -8.486 9.701 5.066 1.00 0.00 H new ATOM 0 HB THR A 9 -8.630 10.463 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.820 11.824 7.740 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.234 8.650 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.075 8.093 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.351 8.527 6.854 1.00 0.00 H new ATOM 134 N ASP A 10 -9.763 11.850 5.233 1.00 0.00 N ATOM 135 CA ASP A 10 -10.497 13.068 4.932 1.00 0.00 C ATOM 136 C ASP A 10 -9.955 14.209 5.795 1.00 0.00 C ATOM 137 O ASP A 10 -10.175 15.380 5.490 1.00 0.00 O ATOM 138 CB ASP A 10 -11.986 12.905 5.245 1.00 0.00 C ATOM 139 CG ASP A 10 -12.739 14.212 5.498 1.00 0.00 C ATOM 140 OD1 ASP A 10 -13.105 14.860 4.494 1.00 0.00 O ATOM 141 OD2 ASP A 10 -12.933 14.533 6.690 1.00 0.00 O ATOM 0 H ASP A 10 -10.344 11.064 5.524 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.373 13.284 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.462 12.384 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.090 12.267 6.123 1.00 0.00 H new ATOM 146 N LYS A 11 -9.257 13.828 6.855 1.00 0.00 N ATOM 147 CA LYS A 11 -8.681 14.805 7.764 1.00 0.00 C ATOM 148 C LYS A 11 -7.276 15.175 7.285 1.00 0.00 C ATOM 149 O LYS A 11 -6.366 15.344 8.095 1.00 0.00 O ATOM 150 CB LYS A 11 -8.726 14.289 9.203 1.00 0.00 C ATOM 151 CG LYS A 11 -9.132 15.401 10.172 1.00 0.00 C ATOM 152 CD LYS A 11 -8.403 15.257 11.509 1.00 0.00 C ATOM 153 CE LYS A 11 -8.511 16.543 12.334 1.00 0.00 C ATOM 154 NZ LYS A 11 -8.951 16.238 13.713 1.00 0.00 N ATOM 0 H LYS A 11 -9.077 12.856 7.105 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.270 15.722 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.434 13.463 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.748 13.897 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.904 16.372 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.209 15.370 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.826 14.424 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.354 15.021 11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.546 17.049 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.218 17.226 11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.019 17.121 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.882 15.775 13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.262 15.604 14.165 1.00 0.00 H new ATOM 168 N TYR A 12 -7.144 15.289 5.972 1.00 0.00 N ATOM 169 CA TYR A 12 -5.864 15.635 5.377 1.00 0.00 C ATOM 170 C TYR A 12 -4.713 14.945 6.111 1.00 0.00 C ATOM 171 O TYR A 12 -3.599 15.465 6.153 1.00 0.00 O ATOM 172 CB TYR A 12 -5.721 17.151 5.536 1.00 0.00 C ATOM 173 CG TYR A 12 -6.872 17.952 4.927 1.00 0.00 C ATOM 174 CD1 TYR A 12 -6.818 18.343 3.605 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.966 18.284 5.700 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.902 19.098 3.031 1.00 0.00 C ATOM 177 CE2 TYR A 12 -9.050 19.040 5.127 1.00 0.00 C ATOM 178 CZ TYR A 12 -8.965 19.408 3.821 1.00 0.00 C ATOM 179 OH TYR A 12 -9.989 20.122 3.279 1.00 0.00 O ATOM 0 H TYR A 12 -7.901 15.148 5.304 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.827 15.319 4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.648 17.389 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.787 17.468 5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.962 18.083 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.009 17.977 6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.872 19.411 1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.911 19.308 5.721 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.680 20.270 3.958 1.00 0.00 H new ATOM 189 N ALA A 13 -5.021 13.785 6.671 1.00 0.00 N ATOM 190 CA ALA A 13 -4.027 13.019 7.402 1.00 0.00 C ATOM 191 C ALA A 13 -3.468 11.921 6.495 1.00 0.00 C ATOM 192 O ALA A 13 -4.211 11.062 6.023 1.00 0.00 O ATOM 193 CB ALA A 13 -4.652 12.457 8.679 1.00 0.00 C ATOM 0 H ALA A 13 -5.946 13.357 6.633 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.195 13.657 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.905 11.882 9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.007 13.278 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.490 11.810 8.420 1.00 0.00 H new ATOM 199 N PRO A 14 -2.127 11.987 6.270 1.00 0.00 N ATOM 200 CA PRO A 14 -1.460 11.010 5.429 1.00 0.00 C ATOM 201 C PRO A 14 -1.308 9.672 6.156 1.00 0.00 C ATOM 202 O PRO A 14 -0.384 9.494 6.948 1.00 0.00 O ATOM 203 CB PRO A 14 -0.127 11.645 5.068 1.00 0.00 C ATOM 204 CG PRO A 14 0.100 12.746 6.092 1.00 0.00 C ATOM 205 CD PRO A 14 -1.215 12.990 6.812 1.00 0.00 C ATOM 0 HA PRO A 14 -2.029 10.772 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.677 10.910 5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.149 12.051 4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.875 12.454 6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.442 13.658 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.102 12.881 7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.584 14.000 6.631 1.00 0.00 H new ATOM 213 N LEU A 15 -2.228 8.766 5.860 1.00 0.00 N ATOM 214 CA LEU A 15 -2.208 7.450 6.476 1.00 0.00 C ATOM 215 C LEU A 15 -2.968 6.464 5.586 1.00 0.00 C ATOM 216 O LEU A 15 -3.890 6.851 4.870 1.00 0.00 O ATOM 217 CB LEU A 15 -2.740 7.521 7.909 1.00 0.00 C ATOM 218 CG LEU A 15 -4.156 8.075 8.072 1.00 0.00 C ATOM 219 CD1 LEU A 15 -5.167 6.945 8.278 1.00 0.00 C ATOM 220 CD2 LEU A 15 -4.215 9.107 9.199 1.00 0.00 C ATOM 0 H LEU A 15 -2.992 8.917 5.202 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.185 7.083 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.712 6.518 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.060 8.137 8.498 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.429 8.588 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.166 7.367 8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.150 6.279 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.907 6.383 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.233 9.485 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.913 8.640 10.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.541 9.933 8.972 1.00 0.00 H new ATOM 232 N TYR A 16 -2.552 5.208 5.662 1.00 0.00 N ATOM 233 CA TYR A 16 -3.182 4.163 4.871 1.00 0.00 C ATOM 234 C TYR A 16 -4.484 3.692 5.523 1.00 0.00 C ATOM 235 O TYR A 16 -4.508 3.371 6.710 1.00 0.00 O ATOM 236 CB TYR A 16 -2.189 2.999 4.845 1.00 0.00 C ATOM 237 CG TYR A 16 -1.133 3.107 3.744 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.520 3.259 2.428 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.209 3.052 4.067 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.524 3.362 1.392 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.203 3.155 3.031 1.00 0.00 C ATOM 242 CZ TYR A 16 0.787 3.304 1.745 1.00 0.00 C ATOM 243 OH TYR A 16 1.728 3.401 0.766 1.00 0.00 O ATOM 0 H TYR A 16 -1.788 4.890 6.258 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.424 4.529 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.687 2.941 5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.740 2.067 4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.569 3.301 2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.512 2.932 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.813 3.483 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.256 3.115 3.270 1.00 0.00 H new ATOM 0 HH TYR A 16 2.622 3.345 1.164 1.00 0.00 H new ATOM 253 N GLU A 17 -5.536 3.668 4.718 1.00 0.00 N ATOM 254 CA GLU A 17 -6.838 3.243 5.201 1.00 0.00 C ATOM 255 C GLU A 17 -7.416 2.162 4.285 1.00 0.00 C ATOM 256 O GLU A 17 -7.531 2.362 3.078 1.00 0.00 O ATOM 257 CB GLU A 17 -7.794 4.432 5.318 1.00 0.00 C ATOM 258 CG GLU A 17 -8.958 4.109 6.258 1.00 0.00 C ATOM 259 CD GLU A 17 -9.822 5.346 6.507 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.331 6.246 7.224 1.00 0.00 O ATOM 261 OE2 GLU A 17 -10.953 5.366 5.975 1.00 0.00 O ATOM 0 H GLU A 17 -5.513 3.936 3.734 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.714 2.819 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.253 5.303 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.179 4.692 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.569 3.316 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.571 3.734 7.206 1.00 0.00 H new ATOM 268 N PRO A 18 -7.775 1.009 4.913 1.00 0.00 N ATOM 269 CA PRO A 18 -7.606 0.854 6.348 1.00 0.00 C ATOM 270 C PRO A 18 -6.135 0.631 6.706 1.00 0.00 C ATOM 271 O PRO A 18 -5.272 0.639 5.830 1.00 0.00 O ATOM 272 CB PRO A 18 -8.494 -0.322 6.724 1.00 0.00 C ATOM 273 CG PRO A 18 -8.762 -1.071 5.429 1.00 0.00 C ATOM 274 CD PRO A 18 -8.349 -0.172 4.275 1.00 0.00 C ATOM 0 HA PRO A 18 -7.893 1.746 6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.002 -0.966 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.424 0.020 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.200 -2.005 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.817 -1.332 5.351 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.623 -0.665 3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.204 0.091 3.652 1.00 0.00 H new ATOM 282 N LYS A 19 -5.895 0.440 7.994 1.00 0.00 N ATOM 283 CA LYS A 19 -4.544 0.216 8.479 1.00 0.00 C ATOM 284 C LYS A 19 -4.079 -1.179 8.054 1.00 0.00 C ATOM 285 O LYS A 19 -2.909 -1.374 7.726 1.00 0.00 O ATOM 286 CB LYS A 19 -4.469 0.455 9.988 1.00 0.00 C ATOM 287 CG LYS A 19 -3.354 1.444 10.332 1.00 0.00 C ATOM 288 CD LYS A 19 -2.569 0.980 11.562 1.00 0.00 C ATOM 289 CE LYS A 19 -1.597 2.064 12.033 1.00 0.00 C ATOM 290 NZ LYS A 19 -2.231 2.915 13.064 1.00 0.00 N ATOM 0 H LYS A 19 -6.614 0.436 8.718 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.856 0.933 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.424 0.839 10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.292 -0.490 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.679 1.546 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.782 2.429 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.261 0.732 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.018 0.070 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.696 1.602 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.288 2.677 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.558 3.645 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.077 3.370 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.504 2.329 13.879 1.00 0.00 H new ATOM 304 N ALA A 20 -5.018 -2.112 8.073 1.00 0.00 N ATOM 305 CA ALA A 20 -4.720 -3.483 7.693 1.00 0.00 C ATOM 306 C ALA A 20 -5.927 -4.081 6.969 1.00 0.00 C ATOM 307 O ALA A 20 -7.041 -3.575 7.089 1.00 0.00 O ATOM 308 CB ALA A 20 -4.330 -4.284 8.936 1.00 0.00 C ATOM 0 H ALA A 20 -5.987 -1.946 8.346 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.874 -3.515 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.107 -5.312 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.450 -3.836 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.155 -4.276 9.648 1.00 0.00 H new ATOM 314 N LEU A 21 -5.665 -5.151 6.233 1.00 0.00 N ATOM 315 CA LEU A 21 -6.715 -5.824 5.489 1.00 0.00 C ATOM 316 C LEU A 21 -6.305 -7.277 5.234 1.00 0.00 C ATOM 317 O LEU A 21 -5.117 -7.587 5.170 1.00 0.00 O ATOM 318 CB LEU A 21 -7.052 -5.048 4.213 1.00 0.00 C ATOM 319 CG LEU A 21 -6.118 -5.277 3.023 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.796 -4.878 1.711 1.00 0.00 C ATOM 321 CD2 LEU A 21 -4.786 -4.553 3.224 1.00 0.00 C ATOM 0 H LEU A 21 -4.739 -5.569 6.136 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.636 -5.849 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.066 -5.309 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.054 -3.984 4.448 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.898 -6.343 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.111 -5.050 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.696 -5.477 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.065 -3.822 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.141 -4.732 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.965 -3.483 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.301 -4.927 4.126 1.00 0.00 H new ATOM 333 N SER A 22 -7.311 -8.127 5.098 1.00 0.00 N ATOM 334 CA SER A 22 -7.069 -9.538 4.852 1.00 0.00 C ATOM 335 C SER A 22 -7.741 -9.964 3.545 1.00 0.00 C ATOM 336 O SER A 22 -8.786 -9.430 3.176 1.00 0.00 O ATOM 337 CB SER A 22 -7.577 -10.395 6.014 1.00 0.00 C ATOM 338 OG SER A 22 -7.368 -11.785 5.784 1.00 0.00 O ATOM 0 H SER A 22 -8.296 -7.866 5.153 1.00 0.00 H new ATOM 0 HA SER A 22 -5.993 -9.691 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.069 -10.099 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.640 -10.208 6.164 1.00 0.00 H new ATOM 0 HG SER A 22 -7.704 -12.297 6.549 1.00 0.00 H new ATOM 344 N ILE A 23 -7.115 -10.924 2.880 1.00 0.00 N ATOM 345 CA ILE A 23 -7.639 -11.428 1.623 1.00 0.00 C ATOM 346 C ILE A 23 -7.328 -12.922 1.507 1.00 0.00 C ATOM 347 O ILE A 23 -6.599 -13.474 2.331 1.00 0.00 O ATOM 348 CB ILE A 23 -7.112 -10.599 0.450 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.685 -11.012 0.083 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.215 -9.101 0.749 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.317 -10.526 -1.320 1.00 0.00 C ATOM 0 H ILE A 23 -6.249 -11.366 3.189 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.724 -11.324 1.595 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.739 -10.800 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.985 -10.600 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.593 -12.097 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.834 -8.533 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.258 -8.836 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.627 -8.866 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.298 -10.833 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.004 -10.959 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.387 -9.439 -1.358 1.00 0.00 H new ATOM 363 N SER A 24 -7.895 -13.535 0.479 1.00 0.00 N ATOM 364 CA SER A 24 -7.686 -14.954 0.244 1.00 0.00 C ATOM 365 C SER A 24 -6.795 -15.157 -0.982 1.00 0.00 C ATOM 366 O SER A 24 -6.822 -14.353 -1.913 1.00 0.00 O ATOM 367 CB SER A 24 -9.019 -15.682 0.058 1.00 0.00 C ATOM 368 OG SER A 24 -10.081 -15.042 0.763 1.00 0.00 O ATOM 0 H SER A 24 -8.500 -13.075 -0.202 1.00 0.00 H new ATOM 0 HA SER A 24 -7.190 -15.376 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.263 -15.726 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.922 -16.711 0.405 1.00 0.00 H new ATOM 0 HG SER A 24 -10.915 -15.536 0.617 1.00 0.00 H new ATOM 374 N ALA A 25 -6.028 -16.236 -0.944 1.00 0.00 N ATOM 375 CA ALA A 25 -5.130 -16.554 -2.042 1.00 0.00 C ATOM 376 C ALA A 25 -5.896 -16.468 -3.364 1.00 0.00 C ATOM 377 O ALA A 25 -6.699 -17.344 -3.677 1.00 0.00 O ATOM 378 CB ALA A 25 -4.515 -17.937 -1.813 1.00 0.00 C ATOM 0 H ALA A 25 -6.009 -16.901 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.311 -15.836 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.841 -18.176 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.958 -17.937 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.307 -18.684 -1.764 1.00 0.00 H new ATOM 384 N GLY A 26 -5.619 -15.403 -4.101 1.00 0.00 N ATOM 385 CA GLY A 26 -6.272 -15.191 -5.382 1.00 0.00 C ATOM 386 C GLY A 26 -7.007 -13.849 -5.407 1.00 0.00 C ATOM 387 O GLY A 26 -7.487 -13.420 -6.455 1.00 0.00 O ATOM 0 H GLY A 26 -4.952 -14.678 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.531 -15.219 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.977 -16.000 -5.573 1.00 0.00 H new ATOM 391 N ASP A 27 -7.073 -13.225 -4.240 1.00 0.00 N ATOM 392 CA ASP A 27 -7.741 -11.941 -4.114 1.00 0.00 C ATOM 393 C ASP A 27 -6.829 -10.840 -4.661 1.00 0.00 C ATOM 394 O ASP A 27 -5.704 -11.111 -5.076 1.00 0.00 O ATOM 395 CB ASP A 27 -8.046 -11.619 -2.651 1.00 0.00 C ATOM 396 CG ASP A 27 -9.387 -12.150 -2.137 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.958 -13.016 -2.835 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.809 -11.677 -1.060 1.00 0.00 O ATOM 0 H ASP A 27 -6.675 -13.585 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.675 -11.991 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.249 -12.028 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.027 -10.537 -2.521 1.00 0.00 H new ATOM 403 N THR A 28 -7.349 -9.622 -4.641 1.00 0.00 N ATOM 404 CA THR A 28 -6.595 -8.479 -5.130 1.00 0.00 C ATOM 405 C THR A 28 -6.625 -7.345 -4.104 1.00 0.00 C ATOM 406 O THR A 28 -7.529 -7.277 -3.272 1.00 0.00 O ATOM 407 CB THR A 28 -7.169 -8.082 -6.492 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.170 -9.297 -7.236 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.228 -7.165 -7.277 1.00 0.00 C ATOM 0 H THR A 28 -8.282 -9.401 -4.294 1.00 0.00 H new ATOM 0 HA THR A 28 -5.542 -8.727 -5.265 1.00 0.00 H new ATOM 0 HB THR A 28 -8.128 -7.584 -6.351 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.252 -9.524 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.682 -6.913 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.051 -6.252 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.280 -7.676 -7.448 1.00 0.00 H new ATOM 417 N VAL A 29 -5.625 -6.480 -4.197 1.00 0.00 N ATOM 418 CA VAL A 29 -5.523 -5.352 -3.287 1.00 0.00 C ATOM 419 C VAL A 29 -5.350 -4.064 -4.096 1.00 0.00 C ATOM 420 O VAL A 29 -4.300 -3.840 -4.696 1.00 0.00 O ATOM 421 CB VAL A 29 -4.391 -5.586 -2.286 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.218 -4.379 -1.361 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.626 -6.865 -1.481 1.00 0.00 C ATOM 0 H VAL A 29 -4.878 -6.538 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.438 -5.249 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.466 -5.711 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.407 -4.572 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.982 -3.496 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.142 -4.208 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.806 -7.007 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.565 -6.783 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.675 -7.718 -2.158 1.00 0.00 H new ATOM 433 N GLU A 30 -6.396 -3.251 -4.086 1.00 0.00 N ATOM 434 CA GLU A 30 -6.373 -1.993 -4.812 1.00 0.00 C ATOM 435 C GLU A 30 -5.778 -0.887 -3.937 1.00 0.00 C ATOM 436 O GLU A 30 -5.617 -1.064 -2.731 1.00 0.00 O ATOM 437 CB GLU A 30 -7.774 -1.614 -5.297 1.00 0.00 C ATOM 438 CG GLU A 30 -7.710 -0.894 -6.646 1.00 0.00 C ATOM 439 CD GLU A 30 -8.613 0.342 -6.651 1.00 0.00 C ATOM 440 OE1 GLU A 30 -8.311 1.269 -5.870 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.586 0.330 -7.437 1.00 0.00 O ATOM 0 H GLU A 30 -7.265 -3.439 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.741 -2.114 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.386 -2.511 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.257 -0.972 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.682 -0.599 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.015 -1.575 -7.441 1.00 0.00 H new ATOM 448 N PHE A 31 -5.467 0.228 -4.580 1.00 0.00 N ATOM 449 CA PHE A 31 -4.893 1.362 -3.875 1.00 0.00 C ATOM 450 C PHE A 31 -5.346 2.683 -4.502 1.00 0.00 C ATOM 451 O PHE A 31 -5.114 2.925 -5.685 1.00 0.00 O ATOM 452 CB PHE A 31 -3.373 1.246 -4.004 1.00 0.00 C ATOM 453 CG PHE A 31 -2.753 0.181 -3.097 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.867 -1.135 -3.417 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.085 0.552 -1.972 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.292 -2.123 -2.575 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.508 -0.436 -1.130 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.624 -1.753 -1.450 1.00 0.00 C ATOM 0 H PHE A 31 -5.601 0.371 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.215 1.355 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.123 1.017 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.924 2.212 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.395 -1.429 -4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.993 1.598 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.385 -3.169 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.978 -0.142 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.186 -2.505 -0.810 1.00 0.00 H new ATOM 468 N VAL A 32 -5.985 3.503 -3.680 1.00 0.00 N ATOM 469 CA VAL A 32 -6.472 4.792 -4.138 1.00 0.00 C ATOM 470 C VAL A 32 -5.861 5.900 -3.277 1.00 0.00 C ATOM 471 O VAL A 32 -5.532 5.675 -2.113 1.00 0.00 O ATOM 472 CB VAL A 32 -8.002 4.806 -4.132 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.544 4.829 -2.701 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.543 5.986 -4.942 1.00 0.00 C ATOM 0 H VAL A 32 -6.176 3.299 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.162 4.972 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.347 3.888 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.634 4.839 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.201 3.943 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.184 5.722 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.633 5.972 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.184 6.920 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.199 5.908 -5.973 1.00 0.00 H new ATOM 484 N MET A 33 -5.728 7.071 -3.882 1.00 0.00 N ATOM 485 CA MET A 33 -5.161 8.213 -3.184 1.00 0.00 C ATOM 486 C MET A 33 -6.262 9.153 -2.689 1.00 0.00 C ATOM 487 O MET A 33 -7.082 9.623 -3.477 1.00 0.00 O ATOM 488 CB MET A 33 -4.225 8.973 -4.126 1.00 0.00 C ATOM 489 CG MET A 33 -3.086 9.636 -3.349 1.00 0.00 C ATOM 490 SD MET A 33 -2.761 11.262 -4.011 1.00 0.00 S ATOM 491 CE MET A 33 -3.786 12.248 -2.931 1.00 0.00 C ATOM 0 H MET A 33 -6.003 7.254 -4.847 1.00 0.00 H new ATOM 0 HA MET A 33 -4.604 7.849 -2.320 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.814 8.288 -4.867 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.788 9.731 -4.671 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.349 9.710 -2.294 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.187 9.023 -3.411 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.346 13.239 -2.816 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.783 12.342 -3.361 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.855 11.766 -1.956 1.00 0.00 H new ATOM 501 N ASN A 34 -6.244 9.400 -1.388 1.00 0.00 N ATOM 502 CA ASN A 34 -7.230 10.276 -0.779 1.00 0.00 C ATOM 503 C ASN A 34 -6.779 11.730 -0.934 1.00 0.00 C ATOM 504 O ASN A 34 -7.437 12.519 -1.611 1.00 0.00 O ATOM 505 CB ASN A 34 -7.378 9.984 0.716 1.00 0.00 C ATOM 506 CG ASN A 34 -8.633 9.153 0.990 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.889 8.139 0.360 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.400 9.637 1.963 1.00 0.00 N ATOM 0 H ASN A 34 -5.562 9.009 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.185 10.106 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.498 9.450 1.075 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.430 10.921 1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.261 9.154 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.128 10.491 2.450 1.00 0.00 H new ATOM 515 N LYS A 35 -5.661 12.040 -0.295 1.00 0.00 N ATOM 516 CA LYS A 35 -5.114 13.386 -0.354 1.00 0.00 C ATOM 517 C LYS A 35 -3.727 13.397 0.292 1.00 0.00 C ATOM 518 O LYS A 35 -3.131 12.343 0.509 1.00 0.00 O ATOM 519 CB LYS A 35 -6.090 14.388 0.268 1.00 0.00 C ATOM 520 CG LYS A 35 -6.431 13.999 1.708 1.00 0.00 C ATOM 521 CD LYS A 35 -7.869 13.488 1.812 1.00 0.00 C ATOM 522 CE LYS A 35 -8.836 14.632 2.129 1.00 0.00 C ATOM 523 NZ LYS A 35 -10.190 14.322 1.619 1.00 0.00 N ATOM 0 H LYS A 35 -5.119 11.383 0.266 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.986 13.701 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.652 15.386 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.002 14.430 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.742 13.228 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.299 14.861 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.158 13.012 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.933 12.727 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.875 14.795 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.474 15.557 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.900 14.602 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.356 14.845 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.267 13.301 1.437 1.00 0.00 H new ATOM 537 N VAL A 36 -3.253 14.600 0.581 1.00 0.00 N ATOM 538 CA VAL A 36 -1.948 14.762 1.197 1.00 0.00 C ATOM 539 C VAL A 36 -0.925 13.908 0.446 1.00 0.00 C ATOM 540 O VAL A 36 -0.169 13.155 1.059 1.00 0.00 O ATOM 541 CB VAL A 36 -2.028 14.427 2.688 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.425 12.964 2.901 1.00 0.00 C ATOM 543 CG2 VAL A 36 -0.707 14.744 3.392 1.00 0.00 C ATOM 0 H VAL A 36 -3.750 15.472 0.400 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.619 15.799 1.128 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.803 15.052 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.475 12.752 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.400 12.782 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.683 12.314 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.790 14.497 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.094 14.156 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.483 15.805 3.284 1.00 0.00 H new ATOM 553 N GLY A 37 -0.934 14.052 -0.871 1.00 0.00 N ATOM 554 CA GLY A 37 -0.016 13.302 -1.712 1.00 0.00 C ATOM 555 C GLY A 37 1.081 14.210 -2.270 1.00 0.00 C ATOM 556 O GLY A 37 1.277 15.324 -1.786 1.00 0.00 O ATOM 0 H GLY A 37 -1.562 14.677 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.434 12.494 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.564 12.840 -2.533 1.00 0.00 H new ATOM 560 N PRO A 38 1.787 13.688 -3.309 1.00 0.00 N ATOM 561 CA PRO A 38 1.491 12.361 -3.822 1.00 0.00 C ATOM 562 C PRO A 38 2.014 11.277 -2.877 1.00 0.00 C ATOM 563 O PRO A 38 2.538 11.584 -1.807 1.00 0.00 O ATOM 564 CB PRO A 38 2.143 12.316 -5.194 1.00 0.00 C ATOM 565 CG PRO A 38 3.167 13.439 -5.207 1.00 0.00 C ATOM 566 CD PRO A 38 2.881 14.343 -4.020 1.00 0.00 C ATOM 0 HA PRO A 38 0.421 12.169 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.619 11.351 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.403 12.453 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.177 13.035 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.105 14.001 -6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.759 14.450 -3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.599 15.345 -4.344 1.00 0.00 H new ATOM 574 N HIS A 39 1.854 10.035 -3.305 1.00 0.00 N ATOM 575 CA HIS A 39 2.303 8.905 -2.510 1.00 0.00 C ATOM 576 C HIS A 39 2.937 7.854 -3.424 1.00 0.00 C ATOM 577 O HIS A 39 3.497 8.189 -4.466 1.00 0.00 O ATOM 578 CB HIS A 39 1.156 8.343 -1.668 1.00 0.00 C ATOM 579 CG HIS A 39 0.372 9.394 -0.919 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.587 9.679 0.418 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.626 10.227 -1.334 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.250 10.640 0.782 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.001 10.978 -0.306 1.00 0.00 N ATOM 0 H HIS A 39 1.419 9.785 -4.193 1.00 0.00 H new ATOM 0 HA HIS A 39 3.067 9.233 -1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.477 7.793 -2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.561 7.628 -0.952 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.274 9.226 1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.041 10.268 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.325 11.078 1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.731 11.691 -0.326 1.00 0.00 H new ATOM 591 N ASN A 40 2.827 6.604 -3.000 1.00 0.00 N ATOM 592 CA ASN A 40 3.383 5.501 -3.767 1.00 0.00 C ATOM 593 C ASN A 40 3.389 4.237 -2.904 1.00 0.00 C ATOM 594 O ASN A 40 3.314 4.318 -1.678 1.00 0.00 O ATOM 595 CB ASN A 40 4.824 5.794 -4.187 1.00 0.00 C ATOM 596 CG ASN A 40 5.534 6.660 -3.144 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.097 6.799 -2.013 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.650 7.232 -3.585 1.00 0.00 N ATOM 0 H ASN A 40 2.361 6.330 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 40 2.769 5.365 -4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.366 4.857 -4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.829 6.302 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.197 7.829 -2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.960 7.074 -4.544 1.00 0.00 H new ATOM 605 N VAL A 41 3.479 3.101 -3.577 1.00 0.00 N ATOM 606 CA VAL A 41 3.496 1.822 -2.888 1.00 0.00 C ATOM 607 C VAL A 41 4.939 1.322 -2.783 1.00 0.00 C ATOM 608 O VAL A 41 5.480 0.774 -3.741 1.00 0.00 O ATOM 609 CB VAL A 41 2.572 0.832 -3.599 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.383 -0.437 -2.765 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.224 1.477 -3.927 1.00 0.00 C ATOM 0 H VAL A 41 3.541 3.039 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 41 3.115 1.931 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 41 3.045 0.549 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.722 -1.124 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.350 -0.914 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.943 -0.177 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.587 0.751 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.743 1.803 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.381 2.337 -4.578 1.00 0.00 H new ATOM 621 N ILE A 42 5.520 1.533 -1.612 1.00 0.00 N ATOM 622 CA ILE A 42 6.889 1.111 -1.369 1.00 0.00 C ATOM 623 C ILE A 42 6.894 -0.032 -0.352 1.00 0.00 C ATOM 624 O ILE A 42 7.351 0.139 0.777 1.00 0.00 O ATOM 625 CB ILE A 42 7.752 2.305 -0.956 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.270 3.591 -1.631 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.233 2.034 -1.232 1.00 0.00 C ATOM 628 CD1 ILE A 42 7.555 3.561 -3.134 1.00 0.00 C ATOM 0 H ILE A 42 5.068 1.991 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 42 7.336 0.725 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 42 7.645 2.446 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.200 3.716 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.766 4.451 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.824 2.899 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.554 1.159 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.377 1.851 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.203 4.486 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.628 3.461 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.038 2.714 -3.586 1.00 0.00 H new ATOM 640 N PHE A 43 6.381 -1.173 -0.789 1.00 0.00 N ATOM 641 CA PHE A 43 6.321 -2.343 0.068 1.00 0.00 C ATOM 642 C PHE A 43 7.556 -2.429 0.967 1.00 0.00 C ATOM 643 O PHE A 43 8.610 -1.892 0.631 1.00 0.00 O ATOM 644 CB PHE A 43 6.284 -3.568 -0.848 1.00 0.00 C ATOM 645 CG PHE A 43 4.878 -3.960 -1.307 1.00 0.00 C ATOM 646 CD1 PHE A 43 4.085 -4.712 -0.499 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.424 -3.559 -2.524 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.780 -5.077 -0.925 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.119 -3.922 -2.950 1.00 0.00 C ATOM 650 CZ PHE A 43 2.324 -4.674 -2.142 1.00 0.00 C ATOM 0 H PHE A 43 6.003 -1.311 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 43 5.442 -2.289 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.900 -3.371 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.733 -4.413 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.447 -5.032 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.056 -2.964 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.150 -5.674 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.758 -3.601 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.332 -4.951 -2.466 1.00 0.00 H new ATOM 660 N ASP A 44 7.386 -3.110 2.090 1.00 0.00 N ATOM 661 CA ASP A 44 8.473 -3.273 3.039 1.00 0.00 C ATOM 662 C ASP A 44 9.106 -4.654 2.851 1.00 0.00 C ATOM 663 O ASP A 44 10.301 -4.762 2.577 1.00 0.00 O ATOM 664 CB ASP A 44 7.967 -3.179 4.480 1.00 0.00 C ATOM 665 CG ASP A 44 8.965 -2.590 5.479 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.078 -2.240 5.029 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.594 -2.506 6.669 1.00 0.00 O ATOM 0 H ASP A 44 6.511 -3.556 2.364 1.00 0.00 H new ATOM 0 HA ASP A 44 9.198 -2.479 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.062 -2.571 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.686 -4.177 4.816 1.00 0.00 H new ATOM 672 N LYS A 45 8.276 -5.676 3.005 1.00 0.00 N ATOM 673 CA LYS A 45 8.739 -7.045 2.855 1.00 0.00 C ATOM 674 C LYS A 45 7.594 -8.005 3.181 1.00 0.00 C ATOM 675 O LYS A 45 6.737 -7.696 4.008 1.00 0.00 O ATOM 676 CB LYS A 45 9.997 -7.280 3.696 1.00 0.00 C ATOM 677 CG LYS A 45 11.233 -7.413 2.804 1.00 0.00 C ATOM 678 CD LYS A 45 12.230 -8.413 3.396 1.00 0.00 C ATOM 679 CE LYS A 45 12.804 -9.324 2.309 1.00 0.00 C ATOM 680 NZ LYS A 45 14.156 -9.792 2.686 1.00 0.00 N ATOM 0 H LYS A 45 7.286 -5.583 3.232 1.00 0.00 H new ATOM 0 HA LYS A 45 9.032 -7.237 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.134 -6.453 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.876 -8.183 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.934 -7.738 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.711 -6.440 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.040 -7.876 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.736 -9.016 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.146 -10.179 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.850 -8.786 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.531 -10.409 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.786 -8.973 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.103 -10.323 3.578 1.00 0.00 H new ATOM 694 N VAL A 46 7.615 -9.150 2.515 1.00 0.00 N ATOM 695 CA VAL A 46 6.589 -10.156 2.724 1.00 0.00 C ATOM 696 C VAL A 46 7.229 -11.546 2.696 1.00 0.00 C ATOM 697 O VAL A 46 8.127 -11.803 1.894 1.00 0.00 O ATOM 698 CB VAL A 46 5.474 -9.991 1.688 1.00 0.00 C ATOM 699 CG1 VAL A 46 6.011 -10.194 0.270 1.00 0.00 C ATOM 700 CG2 VAL A 46 4.312 -10.942 1.977 1.00 0.00 C ATOM 0 H VAL A 46 8.327 -9.403 1.830 1.00 0.00 H new ATOM 0 HA VAL A 46 6.126 -10.030 3.703 1.00 0.00 H new ATOM 0 HB VAL A 46 5.096 -8.971 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.200 -10.072 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.789 -9.458 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.428 -11.197 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.534 -10.804 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.668 -11.972 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.905 -10.729 2.965 1.00 0.00 H new ATOM 710 N PRO A 47 6.731 -12.427 3.603 1.00 0.00 N ATOM 711 CA PRO A 47 7.246 -13.783 3.690 1.00 0.00 C ATOM 712 C PRO A 47 6.736 -14.639 2.528 1.00 0.00 C ATOM 713 O PRO A 47 5.871 -14.207 1.768 1.00 0.00 O ATOM 714 CB PRO A 47 6.788 -14.292 5.047 1.00 0.00 C ATOM 715 CG PRO A 47 5.649 -13.380 5.472 1.00 0.00 C ATOM 716 CD PRO A 47 5.669 -12.157 4.568 1.00 0.00 C ATOM 0 HA PRO A 47 8.332 -13.826 3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.456 -15.328 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.603 -14.262 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.694 -13.899 5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.764 -13.086 6.515 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.709 -12.016 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.871 -11.248 5.135 1.00 0.00 H new ATOM 756 N SER A 51 7.688 -11.284 -3.783 1.00 0.00 N ATOM 757 CA SER A 51 8.331 -10.118 -4.363 1.00 0.00 C ATOM 758 C SER A 51 7.727 -8.840 -3.775 1.00 0.00 C ATOM 759 O SER A 51 7.005 -8.119 -4.461 1.00 0.00 O ATOM 760 CB SER A 51 8.196 -10.116 -5.888 1.00 0.00 C ATOM 761 OG SER A 51 6.922 -9.636 -6.310 1.00 0.00 O ATOM 0 HA SER A 51 9.393 -10.156 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.979 -9.494 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.346 -11.127 -6.267 1.00 0.00 H new ATOM 0 HG SER A 51 6.386 -9.396 -5.525 1.00 0.00 H new ATOM 767 N ALA A 52 8.046 -8.600 -2.512 1.00 0.00 N ATOM 768 CA ALA A 52 7.545 -7.423 -1.825 1.00 0.00 C ATOM 769 C ALA A 52 8.330 -6.194 -2.287 1.00 0.00 C ATOM 770 O ALA A 52 7.740 -5.180 -2.659 1.00 0.00 O ATOM 771 CB ALA A 52 7.636 -7.637 -0.312 1.00 0.00 C ATOM 0 H ALA A 52 8.646 -9.201 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 52 6.496 -7.255 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.260 -6.753 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.038 -8.504 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.675 -7.807 -0.030 1.00 0.00 H new ATOM 777 N PRO A 53 9.683 -6.329 -2.249 1.00 0.00 N ATOM 778 CA PRO A 53 10.554 -5.241 -2.660 1.00 0.00 C ATOM 779 C PRO A 53 10.576 -5.103 -4.184 1.00 0.00 C ATOM 780 O PRO A 53 11.270 -4.242 -4.723 1.00 0.00 O ATOM 781 CB PRO A 53 11.914 -5.585 -2.076 1.00 0.00 C ATOM 782 CG PRO A 53 11.868 -7.070 -1.757 1.00 0.00 C ATOM 783 CD PRO A 53 10.415 -7.514 -1.816 1.00 0.00 C ATOM 0 HA PRO A 53 10.214 -4.270 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.711 -5.363 -2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.113 -4.999 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.469 -7.633 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.286 -7.261 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.281 -8.339 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.067 -7.861 -0.843 1.00 0.00 H new ATOM 791 N ALA A 54 9.807 -5.963 -4.836 1.00 0.00 N ATOM 792 CA ALA A 54 9.730 -5.948 -6.287 1.00 0.00 C ATOM 793 C ALA A 54 8.374 -5.384 -6.715 1.00 0.00 C ATOM 794 O ALA A 54 8.225 -4.900 -7.836 1.00 0.00 O ATOM 795 CB ALA A 54 9.971 -7.359 -6.826 1.00 0.00 C ATOM 0 H ALA A 54 9.232 -6.675 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 54 10.503 -5.303 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.913 -7.348 -7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.959 -7.702 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.213 -8.034 -6.430 1.00 0.00 H new ATOM 801 N LEU A 55 7.420 -5.464 -5.799 1.00 0.00 N ATOM 802 CA LEU A 55 6.081 -4.967 -6.068 1.00 0.00 C ATOM 803 C LEU A 55 6.059 -3.448 -5.883 1.00 0.00 C ATOM 804 O LEU A 55 5.327 -2.746 -6.579 1.00 0.00 O ATOM 805 CB LEU A 55 5.053 -5.706 -5.210 1.00 0.00 C ATOM 806 CG LEU A 55 4.501 -7.008 -5.795 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.668 -7.765 -4.760 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.715 -6.740 -7.080 1.00 0.00 C ATOM 0 H LEU A 55 7.548 -5.865 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 55 5.801 -5.167 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.508 -5.929 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.217 -5.033 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 55 5.343 -7.648 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.288 -8.686 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.290 -8.006 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.831 -7.143 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.333 -7.681 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.881 -6.072 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.370 -6.275 -7.817 1.00 0.00 H new ATOM 820 N SER A 56 6.869 -2.987 -4.942 1.00 0.00 N ATOM 821 CA SER A 56 6.952 -1.565 -4.657 1.00 0.00 C ATOM 822 C SER A 56 7.140 -0.780 -5.956 1.00 0.00 C ATOM 823 O SER A 56 8.106 -1.003 -6.685 1.00 0.00 O ATOM 824 CB SER A 56 8.094 -1.263 -3.684 1.00 0.00 C ATOM 825 OG SER A 56 9.142 -2.223 -3.778 1.00 0.00 O ATOM 0 H SER A 56 7.474 -3.573 -4.367 1.00 0.00 H new ATOM 0 HA SER A 56 6.019 -1.257 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.493 -0.270 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.707 -1.247 -2.665 1.00 0.00 H new ATOM 0 HG SER A 56 9.853 -1.995 -3.143 1.00 0.00 H new ATOM 831 N ASN A 57 6.203 0.122 -6.208 1.00 0.00 N ATOM 832 CA ASN A 57 6.253 0.940 -7.407 1.00 0.00 C ATOM 833 C ASN A 57 6.461 2.404 -7.012 1.00 0.00 C ATOM 834 O ASN A 57 5.626 2.989 -6.325 1.00 0.00 O ATOM 835 CB ASN A 57 4.946 0.844 -8.195 1.00 0.00 C ATOM 836 CG ASN A 57 5.126 -0.004 -9.456 1.00 0.00 C ATOM 837 OD1 ASN A 57 4.787 -1.174 -9.501 1.00 0.00 O ATOM 838 ND2 ASN A 57 5.677 0.651 -10.474 1.00 0.00 N ATOM 0 H ASN A 57 5.404 0.304 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 57 7.074 0.580 -8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.170 0.407 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.609 1.843 -8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.839 0.173 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.938 1.631 -10.368 1.00 0.00 H new ATOM 845 N THR A 58 7.580 2.952 -7.463 1.00 0.00 N ATOM 846 CA THR A 58 7.908 4.336 -7.166 1.00 0.00 C ATOM 847 C THR A 58 7.315 5.264 -8.227 1.00 0.00 C ATOM 848 O THR A 58 7.960 6.224 -8.647 1.00 0.00 O ATOM 849 CB THR A 58 9.429 4.445 -7.045 1.00 0.00 C ATOM 850 OG1 THR A 58 9.656 5.820 -6.746 1.00 0.00 O ATOM 851 CG2 THR A 58 10.141 4.233 -8.382 1.00 0.00 C ATOM 0 H THR A 58 8.271 2.463 -8.032 1.00 0.00 H new ATOM 0 HA THR A 58 7.468 4.653 -6.220 1.00 0.00 H new ATOM 0 HB THR A 58 9.788 3.712 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.313 6.375 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.218 4.321 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.906 3.240 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.807 4.986 -9.095 1.00 0.00 H new ATOM 859 N LYS A 59 6.093 4.947 -8.629 1.00 0.00 N ATOM 860 CA LYS A 59 5.406 5.741 -9.634 1.00 0.00 C ATOM 861 C LYS A 59 4.404 6.670 -8.945 1.00 0.00 C ATOM 862 O LYS A 59 3.195 6.477 -9.058 1.00 0.00 O ATOM 863 CB LYS A 59 4.777 4.836 -10.694 1.00 0.00 C ATOM 864 CG LYS A 59 4.201 5.660 -11.848 1.00 0.00 C ATOM 865 CD LYS A 59 2.898 5.045 -12.363 1.00 0.00 C ATOM 866 CE LYS A 59 1.969 6.122 -12.928 1.00 0.00 C ATOM 867 NZ LYS A 59 0.689 5.525 -13.368 1.00 0.00 N ATOM 0 H LYS A 59 5.561 4.151 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 59 6.114 6.374 -10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.526 4.143 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.988 4.235 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.018 6.682 -11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.927 5.714 -12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.120 4.309 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.396 4.516 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.781 6.882 -12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.451 6.622 -13.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.071 6.270 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.872 4.816 -14.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.222 5.068 -12.558 1.00 0.00 H new ATOM 881 N LEU A 60 4.944 7.657 -8.245 1.00 0.00 N ATOM 882 CA LEU A 60 4.113 8.616 -7.539 1.00 0.00 C ATOM 883 C LEU A 60 2.928 9.008 -8.424 1.00 0.00 C ATOM 884 O LEU A 60 3.086 9.770 -9.376 1.00 0.00 O ATOM 885 CB LEU A 60 4.950 9.807 -7.069 1.00 0.00 C ATOM 886 CG LEU A 60 6.364 9.483 -6.580 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.400 9.775 -7.667 1.00 0.00 C ATOM 888 CD2 LEU A 60 6.677 10.221 -5.277 1.00 0.00 C ATOM 0 H LEU A 60 5.948 7.813 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 60 3.701 8.169 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.026 10.519 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.414 10.307 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 60 6.414 8.416 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.396 9.536 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.186 9.167 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.357 10.830 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.687 9.973 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.602 11.296 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.965 9.921 -4.509 1.00 0.00 H new ATOM 900 N ALA A 61 1.769 8.468 -8.079 1.00 0.00 N ATOM 901 CA ALA A 61 0.558 8.752 -8.830 1.00 0.00 C ATOM 902 C ALA A 61 -0.075 10.041 -8.301 1.00 0.00 C ATOM 903 O ALA A 61 -0.769 10.024 -7.286 1.00 0.00 O ATOM 904 CB ALA A 61 -0.392 7.556 -8.739 1.00 0.00 C ATOM 0 H ALA A 61 1.643 7.835 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 61 0.788 8.906 -9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.300 7.769 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.094 6.673 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.647 7.373 -7.695 1.00 0.00 H new ATOM 910 N ILE A 62 0.187 11.126 -9.014 1.00 0.00 N ATOM 911 CA ILE A 62 -0.349 12.422 -8.630 1.00 0.00 C ATOM 912 C ILE A 62 -1.842 12.470 -8.963 1.00 0.00 C ATOM 913 O ILE A 62 -2.665 12.770 -8.099 1.00 0.00 O ATOM 914 CB ILE A 62 0.463 13.549 -9.272 1.00 0.00 C ATOM 915 CG1 ILE A 62 1.847 13.662 -8.631 1.00 0.00 C ATOM 916 CG2 ILE A 62 -0.303 14.873 -9.220 1.00 0.00 C ATOM 917 CD1 ILE A 62 2.755 12.516 -9.080 1.00 0.00 C ATOM 0 H ILE A 62 0.763 11.135 -9.856 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.258 12.569 -7.554 1.00 0.00 H new ATOM 0 HB ILE A 62 0.615 13.305 -10.323 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.300 14.616 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.751 13.650 -7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.295 15.658 -9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.245 14.770 -9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.506 15.136 -8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.733 12.621 -8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.311 11.564 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.869 12.545 -10.164 1.00 0.00 H new ATOM 929 N ALA A 63 -2.144 12.173 -10.218 1.00 0.00 N ATOM 930 CA ALA A 63 -3.524 12.179 -10.675 1.00 0.00 C ATOM 931 C ALA A 63 -4.384 11.370 -9.703 1.00 0.00 C ATOM 932 O ALA A 63 -4.228 10.155 -9.594 1.00 0.00 O ATOM 933 CB ALA A 63 -3.590 11.635 -12.104 1.00 0.00 C ATOM 0 H ALA A 63 -1.458 11.927 -10.932 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.917 13.195 -10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.624 11.639 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.987 12.263 -12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.205 10.615 -12.123 1.00 0.00 H new ATOM 939 N PRO A 64 -5.296 12.096 -9.002 1.00 0.00 N ATOM 940 CA PRO A 64 -6.181 11.458 -8.042 1.00 0.00 C ATOM 941 C PRO A 64 -7.292 10.682 -8.752 1.00 0.00 C ATOM 942 O PRO A 64 -7.947 11.210 -9.649 1.00 0.00 O ATOM 943 CB PRO A 64 -6.707 12.594 -7.179 1.00 0.00 C ATOM 944 CG PRO A 64 -6.466 13.867 -7.972 1.00 0.00 C ATOM 945 CD PRO A 64 -5.509 13.537 -9.105 1.00 0.00 C ATOM 0 HA PRO A 64 -5.673 10.713 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.768 12.463 -6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.190 12.628 -6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.405 14.254 -8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.046 14.642 -7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.933 13.807 -10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.572 14.084 -9.004 1.00 0.00 H new ATOM 953 N GLY A 65 -7.470 9.442 -8.322 1.00 0.00 N ATOM 954 CA GLY A 65 -8.491 8.587 -8.904 1.00 0.00 C ATOM 955 C GLY A 65 -8.375 7.156 -8.377 1.00 0.00 C ATOM 956 O GLY A 65 -9.339 6.605 -7.849 1.00 0.00 O ATOM 0 H GLY A 65 -6.924 9.008 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.479 8.985 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.395 8.587 -9.990 1.00 0.00 H new ATOM 960 N SER A 66 -7.186 6.594 -8.539 1.00 0.00 N ATOM 961 CA SER A 66 -6.931 5.237 -8.085 1.00 0.00 C ATOM 962 C SER A 66 -5.657 4.698 -8.738 1.00 0.00 C ATOM 963 O SER A 66 -5.675 4.286 -9.897 1.00 0.00 O ATOM 964 CB SER A 66 -8.116 4.321 -8.397 1.00 0.00 C ATOM 965 OG SER A 66 -8.799 3.911 -7.216 1.00 0.00 O ATOM 0 H SER A 66 -6.388 7.054 -8.978 1.00 0.00 H new ATOM 0 HA SER A 66 -6.797 5.257 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.812 4.840 -9.056 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.763 3.442 -8.935 1.00 0.00 H new ATOM 0 HG SER A 66 -8.489 3.020 -6.951 1.00 0.00 H new ATOM 971 N PHE A 67 -4.581 4.717 -7.966 1.00 0.00 N ATOM 972 CA PHE A 67 -3.300 4.235 -8.455 1.00 0.00 C ATOM 973 C PHE A 67 -3.481 3.006 -9.347 1.00 0.00 C ATOM 974 O PHE A 67 -3.582 3.130 -10.567 1.00 0.00 O ATOM 975 CB PHE A 67 -2.473 3.842 -7.229 1.00 0.00 C ATOM 976 CG PHE A 67 -1.541 4.948 -6.726 1.00 0.00 C ATOM 977 CD1 PHE A 67 -2.044 5.982 -6.000 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.212 4.897 -7.005 1.00 0.00 C ATOM 979 CE1 PHE A 67 -1.180 7.008 -5.534 1.00 0.00 C ATOM 980 CE2 PHE A 67 0.652 5.923 -6.539 1.00 0.00 C ATOM 981 CZ PHE A 67 0.150 6.956 -5.813 1.00 0.00 C ATOM 0 H PHE A 67 -4.569 5.059 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.811 5.010 -9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.150 3.557 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.878 2.962 -7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.100 6.023 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.187 4.076 -7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.579 7.830 -4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.708 5.882 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.807 7.736 -5.457 1.00 0.00 H new ATOM 991 N TYR A 68 -3.517 1.848 -8.705 1.00 0.00 N ATOM 992 CA TYR A 68 -3.684 0.598 -9.427 1.00 0.00 C ATOM 993 C TYR A 68 -3.988 -0.553 -8.466 1.00 0.00 C ATOM 994 O TYR A 68 -3.967 -0.372 -7.249 1.00 0.00 O ATOM 995 CB TYR A 68 -2.346 0.328 -10.119 1.00 0.00 C ATOM 996 CG TYR A 68 -1.125 0.582 -9.234 1.00 0.00 C ATOM 997 CD1 TYR A 68 -0.767 -0.340 -8.271 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.381 1.733 -9.398 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.383 -0.101 -7.438 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.768 1.971 -8.564 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.094 1.043 -7.625 1.00 0.00 C ATOM 1002 OH TYR A 68 2.180 1.269 -6.839 1.00 0.00 O ATOM 0 H TYR A 68 -3.433 1.749 -7.693 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.512 0.670 -10.132 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.327 -0.708 -10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.275 0.956 -11.007 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.349 -1.240 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.661 2.454 -10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.674 -0.815 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.359 2.868 -8.682 1.00 0.00 H new ATOM 0 HH TYR A 68 2.590 2.124 -7.086 1.00 0.00 H new ATOM 1012 N SER A 69 -4.264 -1.711 -9.047 1.00 0.00 N ATOM 1013 CA SER A 69 -4.572 -2.891 -8.257 1.00 0.00 C ATOM 1014 C SER A 69 -3.499 -3.960 -8.474 1.00 0.00 C ATOM 1015 O SER A 69 -2.809 -3.954 -9.491 1.00 0.00 O ATOM 1016 CB SER A 69 -5.953 -3.446 -8.611 1.00 0.00 C ATOM 1017 OG SER A 69 -6.385 -3.020 -9.901 1.00 0.00 O ATOM 0 H SER A 69 -4.281 -1.857 -10.056 1.00 0.00 H new ATOM 0 HA SER A 69 -4.584 -2.605 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.925 -4.535 -8.579 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.676 -3.124 -7.862 1.00 0.00 H new ATOM 0 HG SER A 69 -7.270 -3.397 -10.091 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.392 -4.852 -7.500 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.416 -5.926 -7.571 1.00 0.00 C ATOM 1025 C VAL A 70 -3.006 -7.190 -6.944 1.00 0.00 C ATOM 1026 O VAL A 70 -3.647 -7.126 -5.896 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.107 -5.486 -6.911 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.309 -4.564 -7.836 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.372 -4.815 -5.562 1.00 0.00 C ATOM 0 H VAL A 70 -3.966 -4.853 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.180 -6.159 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.507 -6.378 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.616 -4.266 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.074 -5.091 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.900 -3.677 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.426 -4.512 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.001 -3.937 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.878 -5.517 -4.900 1.00 0.00 H new ATOM 1039 N THR A 71 -2.770 -8.309 -7.613 1.00 0.00 N ATOM 1040 CA THR A 71 -3.271 -9.586 -7.134 1.00 0.00 C ATOM 1041 C THR A 71 -2.146 -10.389 -6.478 1.00 0.00 C ATOM 1042 O THR A 71 -0.979 -10.239 -6.840 1.00 0.00 O ATOM 1043 CB THR A 71 -3.924 -10.309 -8.313 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.160 -9.624 -8.499 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.341 -11.740 -7.966 1.00 0.00 C ATOM 0 H THR A 71 -2.239 -8.358 -8.482 1.00 0.00 H new ATOM 0 HA THR A 71 -4.025 -9.449 -6.359 1.00 0.00 H new ATOM 0 HB THR A 71 -3.232 -10.327 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.783 -10.200 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.799 -12.207 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.463 -12.312 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.059 -11.721 -7.146 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.535 -11.221 -5.524 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.572 -12.047 -4.813 1.00 0.00 C ATOM 1055 C LEU A 72 -1.965 -13.519 -4.959 1.00 0.00 C ATOM 1056 O LEU A 72 -3.025 -13.832 -5.500 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.441 -11.586 -3.361 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.816 -10.206 -3.149 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.339 -9.560 -1.863 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.711 -10.287 -3.170 1.00 0.00 C ATOM 0 H LEU A 72 -3.503 -11.342 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.579 -11.937 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.433 -11.587 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.844 -12.320 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.115 -9.564 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.879 -8.580 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.421 -9.448 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.089 -10.192 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.130 -9.293 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.051 -10.950 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.042 -10.676 -4.133 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.090 -14.384 -4.467 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.331 -15.815 -4.535 1.00 0.00 C ATOM 1074 C GLY A 73 -0.723 -16.531 -3.328 1.00 0.00 C ATOM 1075 O GLY A 73 -1.364 -17.391 -2.725 1.00 0.00 O ATOM 0 H GLY A 73 -0.212 -14.121 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.404 -16.005 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.903 -16.216 -5.454 1.00 0.00 H new ATOM 1079 N THR A 74 0.506 -16.151 -3.012 1.00 0.00 N ATOM 1080 CA THR A 74 1.207 -16.748 -1.887 1.00 0.00 C ATOM 1081 C THR A 74 0.641 -16.222 -0.567 1.00 0.00 C ATOM 1082 O THR A 74 0.357 -15.032 -0.438 1.00 0.00 O ATOM 1083 CB THR A 74 2.701 -16.469 -2.061 1.00 0.00 C ATOM 1084 OG1 THR A 74 2.941 -16.710 -3.444 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.576 -17.500 -1.345 1.00 0.00 C ATOM 0 H THR A 74 1.034 -15.438 -3.515 1.00 0.00 H new ATOM 0 HA THR A 74 1.064 -17.828 -1.859 1.00 0.00 H new ATOM 0 HB THR A 74 2.931 -15.473 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.887 -16.551 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.627 -17.256 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.354 -17.487 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.371 -18.493 -1.746 1.00 0.00 H new ATOM 1093 N PRO A 75 0.490 -17.160 0.408 1.00 0.00 N ATOM 1094 CA PRO A 75 -0.038 -16.804 1.713 1.00 0.00 C ATOM 1095 C PRO A 75 1.010 -16.061 2.544 1.00 0.00 C ATOM 1096 O PRO A 75 2.210 -16.239 2.340 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.464 -18.122 2.338 1.00 0.00 C ATOM 1098 CG PRO A 75 0.262 -19.207 1.558 1.00 0.00 C ATOM 1099 CD PRO A 75 0.815 -18.578 0.290 1.00 0.00 C ATOM 0 HA PRO A 75 -0.881 -16.116 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.199 -18.157 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.544 -18.253 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.068 -19.633 2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.419 -20.022 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.891 -18.732 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.362 -19.016 -0.599 1.00 0.00 H new ATOM 1107 N GLY A 76 0.518 -15.242 3.463 1.00 0.00 N ATOM 1108 CA GLY A 76 1.398 -14.471 4.324 1.00 0.00 C ATOM 1109 C GLY A 76 0.868 -13.048 4.516 1.00 0.00 C ATOM 1110 O GLY A 76 -0.188 -12.700 3.992 1.00 0.00 O ATOM 0 H GLY A 76 -0.478 -15.096 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.488 -14.963 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.397 -14.435 3.890 1.00 0.00 H new ATOM 1114 N THR A 77 1.628 -12.265 5.269 1.00 0.00 N ATOM 1115 CA THR A 77 1.248 -10.888 5.535 1.00 0.00 C ATOM 1116 C THR A 77 2.166 -9.925 4.778 1.00 0.00 C ATOM 1117 O THR A 77 3.384 -9.965 4.944 1.00 0.00 O ATOM 1118 CB THR A 77 1.264 -10.678 7.051 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.225 -11.527 7.530 1.00 0.00 O ATOM 1120 CG2 THR A 77 0.811 -9.272 7.451 1.00 0.00 C ATOM 0 H THR A 77 2.504 -12.558 5.702 1.00 0.00 H new ATOM 0 HA THR A 77 0.241 -10.679 5.174 1.00 0.00 H new ATOM 0 HB THR A 77 2.269 -10.858 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.167 -11.454 8.506 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.841 -9.175 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.476 -8.534 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.207 -9.104 7.099 1.00 0.00 H new ATOM 1128 N TYR A 78 1.545 -9.084 3.964 1.00 0.00 N ATOM 1129 CA TYR A 78 2.291 -8.113 3.182 1.00 0.00 C ATOM 1130 C TYR A 78 2.216 -6.722 3.816 1.00 0.00 C ATOM 1131 O TYR A 78 1.131 -6.248 4.150 1.00 0.00 O ATOM 1132 CB TYR A 78 1.619 -8.071 1.809 1.00 0.00 C ATOM 1133 CG TYR A 78 1.761 -9.367 1.006 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.204 -10.537 1.481 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.447 -9.364 -0.191 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.338 -11.756 0.726 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.582 -10.583 -0.945 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.021 -11.718 -0.450 1.00 0.00 C ATOM 1139 OH TYR A 78 2.148 -12.870 -1.164 1.00 0.00 O ATOM 0 H TYR A 78 0.534 -9.055 3.829 1.00 0.00 H new ATOM 0 HA TYR A 78 3.343 -8.394 3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.559 -7.852 1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.045 -7.250 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.668 -10.538 2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.882 -8.448 -0.562 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.906 -12.679 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.117 -10.595 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 78 1.490 -13.524 -0.849 1.00 0.00 H new ATOM 1149 N SER A 79 3.381 -6.109 3.962 1.00 0.00 N ATOM 1150 CA SER A 79 3.460 -4.783 4.551 1.00 0.00 C ATOM 1151 C SER A 79 4.063 -3.800 3.546 1.00 0.00 C ATOM 1152 O SER A 79 4.682 -4.211 2.566 1.00 0.00 O ATOM 1153 CB SER A 79 4.285 -4.800 5.839 1.00 0.00 C ATOM 1154 OG SER A 79 4.479 -3.490 6.365 1.00 0.00 O ATOM 0 H SER A 79 4.278 -6.506 3.683 1.00 0.00 H new ATOM 0 HA SER A 79 2.450 -4.460 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.783 -5.419 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.254 -5.259 5.643 1.00 0.00 H new ATOM 0 HG SER A 79 3.617 -3.026 6.413 1.00 0.00 H new ATOM 1160 N PHE A 80 3.862 -2.520 3.824 1.00 0.00 N ATOM 1161 CA PHE A 80 4.379 -1.475 2.956 1.00 0.00 C ATOM 1162 C PHE A 80 4.525 -0.155 3.714 1.00 0.00 C ATOM 1163 O PHE A 80 4.209 -0.078 4.901 1.00 0.00 O ATOM 1164 CB PHE A 80 3.365 -1.291 1.825 1.00 0.00 C ATOM 1165 CG PHE A 80 1.908 -1.281 2.291 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.313 -2.437 2.688 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.207 -0.115 2.309 1.00 0.00 C ATOM 1168 CE1 PHE A 80 -0.040 -2.428 3.121 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.145 -0.105 2.742 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.740 -1.262 3.139 1.00 0.00 C ATOM 0 H PHE A 80 3.348 -2.183 4.638 1.00 0.00 H new ATOM 0 HA PHE A 80 5.362 -1.757 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.577 -0.354 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.498 -2.092 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.869 -3.363 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.679 0.804 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.513 -3.347 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.701 0.821 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.768 -1.255 3.469 1.00 0.00 H new ATOM 1180 N TYR A 81 5.003 0.853 2.999 1.00 0.00 N ATOM 1181 CA TYR A 81 5.194 2.166 3.590 1.00 0.00 C ATOM 1182 C TYR A 81 5.280 3.246 2.509 1.00 0.00 C ATOM 1183 O TYR A 81 5.427 2.937 1.329 1.00 0.00 O ATOM 1184 CB TYR A 81 6.528 2.102 4.336 1.00 0.00 C ATOM 1185 CG TYR A 81 7.734 1.828 3.435 1.00 0.00 C ATOM 1186 CD1 TYR A 81 8.202 2.814 2.592 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.352 0.594 3.466 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.338 2.557 1.743 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.487 0.337 2.616 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.923 1.331 1.797 1.00 0.00 C ATOM 1191 OH TYR A 81 10.995 1.087 0.996 1.00 0.00 O ATOM 0 H TYR A 81 5.264 0.786 2.015 1.00 0.00 H new ATOM 0 HA TYR A 81 4.360 2.417 4.245 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.685 3.045 4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.471 1.322 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.717 3.779 2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.985 -0.178 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.716 3.321 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.980 -0.624 2.629 1.00 0.00 H new ATOM 0 HH TYR A 81 11.310 0.171 1.142 1.00 0.00 H new ATOM 1201 N CYS A 82 5.183 4.490 2.953 1.00 0.00 N ATOM 1202 CA CYS A 82 5.248 5.618 2.039 1.00 0.00 C ATOM 1203 C CYS A 82 6.710 6.049 1.912 1.00 0.00 C ATOM 1204 O CYS A 82 7.463 6.001 2.882 1.00 0.00 O ATOM 1205 CB CYS A 82 4.351 6.770 2.498 1.00 0.00 C ATOM 1206 SG CYS A 82 3.450 7.624 1.154 1.00 0.00 S ATOM 0 H CYS A 82 5.060 4.742 3.934 1.00 0.00 H new ATOM 0 HA CYS A 82 4.872 5.319 1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.626 6.384 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.964 7.500 3.027 1.00 0.00 H new ATOM 0 HG CYS A 82 3.246 8.864 1.488 1.00 0.00 H new ATOM 1211 N THR A 83 7.068 6.462 0.704 1.00 0.00 N ATOM 1212 CA THR A 83 8.427 6.902 0.437 1.00 0.00 C ATOM 1213 C THR A 83 8.629 8.336 0.927 1.00 0.00 C ATOM 1214 O THR A 83 9.606 8.628 1.617 1.00 0.00 O ATOM 1215 CB THR A 83 8.693 6.729 -1.061 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.608 5.638 -1.127 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.470 7.905 -1.657 1.00 0.00 C ATOM 0 H THR A 83 6.441 6.501 -0.100 1.00 0.00 H new ATOM 0 HA THR A 83 9.153 6.300 0.984 1.00 0.00 H new ATOM 0 HB THR A 83 7.745 6.616 -1.588 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.833 5.456 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.632 7.732 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.900 8.824 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.432 7.998 -1.154 1.00 0.00 H new ATOM 1225 N PRO A 84 7.667 9.217 0.544 1.00 0.00 N ATOM 1226 CA PRO A 84 7.730 10.614 0.939 1.00 0.00 C ATOM 1227 C PRO A 84 7.350 10.786 2.410 1.00 0.00 C ATOM 1228 O PRO A 84 8.036 11.486 3.155 1.00 0.00 O ATOM 1229 CB PRO A 84 6.782 11.333 -0.007 1.00 0.00 C ATOM 1230 CG PRO A 84 5.876 10.259 -0.586 1.00 0.00 C ATOM 1231 CD PRO A 84 6.496 8.907 -0.271 1.00 0.00 C ATOM 0 HA PRO A 84 8.736 11.027 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.202 12.090 0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.332 11.846 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.877 10.330 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.770 10.389 -1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.797 8.267 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.776 8.378 -1.182 1.00 0.00 H new ATOM 1239 N HIS A 85 6.259 10.136 2.787 1.00 0.00 N ATOM 1240 CA HIS A 85 5.780 10.208 4.157 1.00 0.00 C ATOM 1241 C HIS A 85 6.479 9.143 5.003 1.00 0.00 C ATOM 1242 O HIS A 85 6.083 8.887 6.139 1.00 0.00 O ATOM 1243 CB HIS A 85 4.254 10.095 4.205 1.00 0.00 C ATOM 1244 CG HIS A 85 3.533 11.211 3.486 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.968 11.051 2.233 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.290 12.500 3.857 1.00 0.00 C ATOM 1247 CE1 HIS A 85 2.413 12.201 1.875 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.615 13.097 2.884 1.00 0.00 N ATOM 0 H HIS A 85 5.693 9.557 2.167 1.00 0.00 H new ATOM 0 HA HIS A 85 6.029 11.180 4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.956 9.142 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.933 10.081 5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.596 12.958 4.786 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.893 12.394 0.948 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.299 14.067 2.889 1.00 0.00 H new ATOM 1256 N ARG A 86 7.509 8.549 4.416 1.00 0.00 N ATOM 1257 CA ARG A 86 8.268 7.518 5.100 1.00 0.00 C ATOM 1258 C ARG A 86 8.564 7.943 6.540 1.00 0.00 C ATOM 1259 O ARG A 86 8.754 7.099 7.415 1.00 0.00 O ATOM 1260 CB ARG A 86 9.588 7.234 4.380 1.00 0.00 C ATOM 1261 CG ARG A 86 10.159 5.877 4.796 1.00 0.00 C ATOM 1262 CD ARG A 86 10.574 5.057 3.572 1.00 0.00 C ATOM 1263 NE ARG A 86 11.653 4.113 3.937 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.380 3.424 3.048 1.00 0.00 C ATOM 1265 NH1 ARG A 86 12.148 3.569 1.736 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.340 2.589 3.469 1.00 0.00 N ATOM 0 H ARG A 86 7.835 8.763 3.473 1.00 0.00 H new ATOM 0 HA ARG A 86 7.665 6.610 5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.429 7.250 3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.307 8.021 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.020 6.025 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.415 5.326 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.716 4.509 3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.914 5.721 2.777 1.00 0.00 H new ATOM 0 HE ARG A 86 11.856 3.979 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.418 4.204 1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.702 3.044 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.517 2.478 4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.893 2.065 2.791 1.00 0.00 H new ATOM 1280 N GLY A 87 8.594 9.252 6.743 1.00 0.00 N ATOM 1281 CA GLY A 87 8.862 9.800 8.061 1.00 0.00 C ATOM 1282 C GLY A 87 7.564 10.202 8.764 1.00 0.00 C ATOM 1283 O GLY A 87 7.494 10.209 9.991 1.00 0.00 O ATOM 0 H GLY A 87 8.437 9.949 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.393 9.063 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.515 10.668 7.972 1.00 0.00 H new ATOM 1287 N ALA A 88 6.567 10.527 7.954 1.00 0.00 N ATOM 1288 CA ALA A 88 5.274 10.929 8.482 1.00 0.00 C ATOM 1289 C ALA A 88 4.665 9.765 9.268 1.00 0.00 C ATOM 1290 O ALA A 88 3.835 9.975 10.151 1.00 0.00 O ATOM 1291 CB ALA A 88 4.374 11.391 7.334 1.00 0.00 C ATOM 0 H ALA A 88 6.628 10.520 6.936 1.00 0.00 H new ATOM 0 HA ALA A 88 5.384 11.769 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.404 11.692 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.837 12.237 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.238 10.573 6.626 1.00 0.00 H new ATOM 1297 N GLY A 89 5.102 8.564 8.918 1.00 0.00 N ATOM 1298 CA GLY A 89 4.609 7.367 9.579 1.00 0.00 C ATOM 1299 C GLY A 89 3.420 6.772 8.823 1.00 0.00 C ATOM 1300 O GLY A 89 2.356 6.558 9.402 1.00 0.00 O ATOM 0 H GLY A 89 5.792 8.394 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.408 6.629 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.312 7.607 10.600 1.00 0.00 H new ATOM 1304 N MET A 90 3.640 6.523 7.540 1.00 0.00 N ATOM 1305 CA MET A 90 2.599 5.957 6.698 1.00 0.00 C ATOM 1306 C MET A 90 2.954 4.533 6.270 1.00 0.00 C ATOM 1307 O MET A 90 3.713 4.336 5.323 1.00 0.00 O ATOM 1308 CB MET A 90 2.414 6.833 5.457 1.00 0.00 C ATOM 1309 CG MET A 90 1.444 7.982 5.737 1.00 0.00 C ATOM 1310 SD MET A 90 0.653 8.496 4.221 1.00 0.00 S ATOM 1311 CE MET A 90 0.006 6.929 3.662 1.00 0.00 C ATOM 0 H MET A 90 4.524 6.703 7.063 1.00 0.00 H new ATOM 0 HA MET A 90 1.672 5.923 7.271 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.378 7.234 5.144 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.038 6.227 4.633 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.692 7.666 6.460 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.980 8.821 6.180 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.942 7.089 3.148 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.716 6.466 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.152 6.274 4.519 1.00 0.00 H new ATOM 1321 N VAL A 91 2.389 3.574 6.990 1.00 0.00 N ATOM 1322 CA VAL A 91 2.637 2.173 6.696 1.00 0.00 C ATOM 1323 C VAL A 91 1.335 1.385 6.858 1.00 0.00 C ATOM 1324 O VAL A 91 0.471 1.763 7.646 1.00 0.00 O ATOM 1325 CB VAL A 91 3.769 1.646 7.580 1.00 0.00 C ATOM 1326 CG1 VAL A 91 5.129 2.133 7.078 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.551 2.038 9.042 1.00 0.00 C ATOM 0 H VAL A 91 1.761 3.740 7.776 1.00 0.00 H new ATOM 0 HA VAL A 91 2.965 2.051 5.664 1.00 0.00 H new ATOM 0 HB VAL A 91 3.761 0.558 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.916 1.744 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.288 1.780 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.153 3.223 7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.370 1.651 9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.519 3.124 9.127 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.609 1.619 9.395 1.00 0.00 H new ATOM 1337 N GLY A 92 1.238 0.303 6.099 1.00 0.00 N ATOM 1338 CA GLY A 92 0.057 -0.542 6.148 1.00 0.00 C ATOM 1339 C GLY A 92 0.442 -2.022 6.178 1.00 0.00 C ATOM 1340 O GLY A 92 1.617 -2.359 6.319 1.00 0.00 O ATOM 0 H GLY A 92 1.958 -0.008 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.532 -0.298 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.572 -0.344 5.280 1.00 0.00 H new ATOM 1344 N THR A 93 -0.570 -2.867 6.043 1.00 0.00 N ATOM 1345 CA THR A 93 -0.351 -4.304 6.054 1.00 0.00 C ATOM 1346 C THR A 93 -1.468 -5.017 5.290 1.00 0.00 C ATOM 1347 O THR A 93 -2.510 -4.426 5.009 1.00 0.00 O ATOM 1348 CB THR A 93 -0.228 -4.752 7.511 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.560 -3.735 8.122 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.617 -6.019 7.664 1.00 0.00 C ATOM 0 H THR A 93 -1.543 -2.584 5.926 1.00 0.00 H new ATOM 0 HA THR A 93 0.573 -4.569 5.540 1.00 0.00 H new ATOM 0 HB THR A 93 -1.222 -4.926 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.688 -3.946 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.673 -6.294 8.717 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.159 -6.832 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.622 -5.834 7.284 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.214 -6.279 4.977 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.185 -7.081 4.251 1.00 0.00 C ATOM 1360 C ILE A 94 -2.013 -8.552 4.635 1.00 0.00 C ATOM 1361 O ILE A 94 -1.003 -8.930 5.225 1.00 0.00 O ATOM 1362 CB ILE A 94 -2.077 -6.821 2.748 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -1.512 -5.427 2.470 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -3.425 -7.040 2.055 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.292 -5.212 0.972 1.00 0.00 C ATOM 0 H ILE A 94 -0.350 -6.766 5.213 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.200 -6.795 4.528 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.376 -7.542 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.197 -4.670 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.569 -5.301 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.320 -6.848 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.750 -8.069 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.165 -6.359 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.890 -4.213 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.588 -5.955 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.241 -5.315 0.446 1.00 0.00 H new ATOM 1377 N THR A 95 -3.017 -9.343 4.283 1.00 0.00 N ATOM 1378 CA THR A 95 -2.991 -10.764 4.583 1.00 0.00 C ATOM 1379 C THR A 95 -3.630 -11.562 3.444 1.00 0.00 C ATOM 1380 O THR A 95 -4.651 -11.154 2.893 1.00 0.00 O ATOM 1381 CB THR A 95 -3.679 -10.975 5.933 1.00 0.00 C ATOM 1382 OG1 THR A 95 -3.044 -10.036 6.796 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.346 -12.334 6.554 1.00 0.00 C ATOM 0 H THR A 95 -3.853 -9.026 3.793 1.00 0.00 H new ATOM 0 HA THR A 95 -1.968 -11.133 4.662 1.00 0.00 H new ATOM 0 HB THR A 95 -4.758 -10.887 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.431 -10.103 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.860 -12.433 7.510 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.671 -13.130 5.884 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.270 -12.409 6.711 1.00 0.00 H new ATOM 1391 N VAL A 96 -3.001 -12.683 3.125 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.496 -13.542 2.062 1.00 0.00 C ATOM 1393 C VAL A 96 -3.689 -14.959 2.605 1.00 0.00 C ATOM 1394 O VAL A 96 -2.832 -15.822 2.415 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.549 -13.485 0.861 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.746 -14.699 -0.049 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.730 -12.181 0.082 1.00 0.00 C ATOM 0 H VAL A 96 -2.153 -13.017 3.583 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.467 -13.194 1.710 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.527 -13.511 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.061 -14.635 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.544 -15.611 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.773 -14.717 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.045 -12.166 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.756 -12.112 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.517 -11.335 0.735 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.817 -15.156 3.269 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.134 -16.453 3.841 1.00 0.00 C ATOM 1409 C GLU A 97 -5.792 -17.350 2.790 1.00 0.00 C ATOM 1410 O GLU A 97 -5.169 -18.285 2.289 1.00 0.00 O ATOM 1411 CB GLU A 97 -6.028 -16.306 5.073 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.449 -17.072 6.265 1.00 0.00 C ATOM 1413 CD GLU A 97 -4.330 -16.275 6.938 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -3.247 -16.182 6.320 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -4.582 -15.775 8.056 1.00 0.00 O ATOM 1416 OXT GLU A 97 -7.042 -17.033 2.487 1.00 0.00 O ATOM 0 H GLU A 97 -5.524 -14.438 3.424 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.205 -16.923 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.130 -15.251 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.028 -16.678 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.239 -17.278 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.064 -18.035 5.930 1.00 0.00 H new