USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 5 THR OG1 : rot -81:sc= 0.0583 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.397 K(o=-0.34,f=-0.98) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 161:sc= -0.0985 (180deg=-0.571) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 0.761 (180deg=-0.0127) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 165:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 58 ASN : amide:sc= -0.0115 K(o=-0.012,f=-1.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 83 THR OG1 : rot 100:sc= 0.448 USER MOD Single : A 86 SER OG : rot -123:sc= 0.0372 USER MOD Single : A 89 SER OG : rot -43:sc= 1.26 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.342 K(o=-0.34,f=-4.3!) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= 3.48 (180deg=2.98) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0855) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.742 4.694 -5.834 1.00 0.00 N ATOM 42 CA LEU A 4 8.160 5.711 -6.786 1.00 0.00 C ATOM 43 C LEU A 4 7.071 6.049 -7.803 1.00 0.00 C ATOM 44 O LEU A 4 7.376 6.504 -8.905 1.00 0.00 O ATOM 45 CB LEU A 4 9.460 5.272 -7.473 1.00 0.00 C ATOM 46 CG LEU A 4 10.658 5.317 -6.520 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.883 4.711 -7.186 1.00 0.00 C ATOM 48 CD2 LEU A 4 11.006 6.765 -6.194 1.00 0.00 C ATOM 0 HA LEU A 4 8.344 6.632 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.342 4.259 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.654 5.919 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 4 10.390 4.762 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.728 4.749 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.677 3.674 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.124 5.275 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.859 6.790 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.257 7.295 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.151 7.247 -5.720 1.00 0.00 H new ATOM 60 N THR A 5 5.798 5.838 -7.459 1.00 0.00 N ATOM 61 CA THR A 5 4.680 6.188 -8.321 1.00 0.00 C ATOM 62 C THR A 5 4.186 7.592 -8.006 1.00 0.00 C ATOM 63 O THR A 5 3.393 8.143 -8.765 1.00 0.00 O ATOM 64 CB THR A 5 3.547 5.171 -8.166 1.00 0.00 C ATOM 65 OG1 THR A 5 3.515 4.651 -6.856 1.00 0.00 O ATOM 66 CG2 THR A 5 3.741 4.031 -9.157 1.00 0.00 C ATOM 0 H THR A 5 5.519 5.419 -6.572 1.00 0.00 H new ATOM 0 HA THR A 5 5.021 6.168 -9.356 1.00 0.00 H new ATOM 0 HB THR A 5 2.602 5.677 -8.364 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.186 3.942 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.932 3.309 -9.044 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.734 4.427 -10.173 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.695 3.540 -8.965 1.00 0.00 H new ATOM 74 N GLN A 6 4.654 8.171 -6.900 1.00 0.00 N ATOM 75 CA GLN A 6 4.293 9.516 -6.507 1.00 0.00 C ATOM 76 C GLN A 6 5.485 10.455 -6.620 1.00 0.00 C ATOM 77 O GLN A 6 6.380 10.418 -5.776 1.00 0.00 O ATOM 78 CB GLN A 6 3.785 9.492 -5.071 1.00 0.00 C ATOM 79 CG GLN A 6 2.424 8.794 -4.982 1.00 0.00 C ATOM 80 CD GLN A 6 2.540 7.279 -4.886 1.00 0.00 C ATOM 81 OE1 GLN A 6 3.471 6.747 -4.290 1.00 0.00 O ATOM 82 NE2 GLN A 6 1.582 6.572 -5.478 1.00 0.00 N ATOM 0 H GLN A 6 5.296 7.711 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 6 3.512 9.882 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.505 8.976 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.700 10.511 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.886 9.168 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.831 9.053 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.823 7.049 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.606 5.553 -5.445 1.00 0.00 H new ATOM 91 N ILE A 7 5.488 11.294 -7.663 1.00 0.00 N ATOM 92 CA ILE A 7 6.568 12.239 -7.918 1.00 0.00 C ATOM 93 C ILE A 7 6.041 13.672 -7.887 1.00 0.00 C ATOM 94 O ILE A 7 5.114 14.009 -8.624 1.00 0.00 O ATOM 95 CB ILE A 7 7.217 11.934 -9.275 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.546 10.443 -9.443 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.480 12.780 -9.438 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.477 9.902 -8.357 1.00 0.00 C ATOM 0 H ILE A 7 4.737 11.332 -8.352 1.00 0.00 H new ATOM 0 HA ILE A 7 7.321 12.135 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 7 6.498 12.189 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.619 9.870 -9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.008 10.288 -10.418 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.941 12.564 -10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.219 13.837 -9.390 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.182 12.543 -8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.668 8.844 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.419 10.450 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.008 10.026 -7.381 1.00 0.00 H new ATOM 110 N LEU A 8 6.634 14.517 -7.036 1.00 0.00 N ATOM 111 CA LEU A 8 6.254 15.924 -6.957 1.00 0.00 C ATOM 112 C LEU A 8 7.053 16.716 -7.994 1.00 0.00 C ATOM 113 O LEU A 8 8.200 16.381 -8.286 1.00 0.00 O ATOM 114 CB LEU A 8 6.487 16.439 -5.531 1.00 0.00 C ATOM 115 CG LEU A 8 5.418 17.421 -5.034 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.739 17.814 -3.596 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.342 18.703 -5.856 1.00 0.00 C ATOM 0 H LEU A 8 7.379 14.247 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 8 5.195 16.049 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.526 15.588 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.461 16.927 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 8 4.460 16.909 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.985 18.512 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.742 16.923 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.720 18.288 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.566 19.351 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.302 19.218 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.104 18.458 -6.891 1.00 0.00 H new ATOM 129 N ILE A 9 6.447 17.768 -8.552 1.00 0.00 N ATOM 130 CA ILE A 9 7.072 18.636 -9.541 1.00 0.00 C ATOM 131 C ILE A 9 7.335 20.009 -8.927 1.00 0.00 C ATOM 132 O ILE A 9 6.426 20.622 -8.365 1.00 0.00 O ATOM 133 CB ILE A 9 6.149 18.733 -10.760 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.026 17.359 -11.431 1.00 0.00 C ATOM 135 CG2 ILE A 9 6.672 19.767 -11.759 1.00 0.00 C ATOM 136 CD1 ILE A 9 4.886 17.335 -12.449 1.00 0.00 C ATOM 0 H ILE A 9 5.492 18.041 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 9 8.031 18.227 -9.859 1.00 0.00 H new ATOM 0 HB ILE A 9 5.164 19.056 -10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.964 17.109 -11.927 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.854 16.596 -10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.000 19.818 -12.616 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.722 20.744 -11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.667 19.477 -12.095 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.827 16.347 -12.906 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.945 17.560 -11.947 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.072 18.081 -13.221 1.00 0.00 H new ATOM 148 N VAL A 10 8.576 20.493 -9.038 1.00 0.00 N ATOM 149 CA VAL A 10 8.965 21.810 -8.541 1.00 0.00 C ATOM 150 C VAL A 10 9.752 22.532 -9.632 1.00 0.00 C ATOM 151 O VAL A 10 10.770 22.022 -10.096 1.00 0.00 O ATOM 152 CB VAL A 10 9.821 21.675 -7.273 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.049 23.053 -6.648 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.155 20.762 -6.241 1.00 0.00 C ATOM 0 H VAL A 10 9.339 19.978 -9.477 1.00 0.00 H new ATOM 0 HA VAL A 10 8.072 22.382 -8.287 1.00 0.00 H new ATOM 0 HB VAL A 10 10.774 21.232 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.657 22.949 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.564 23.696 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.089 23.498 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.788 20.689 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.186 21.176 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.015 19.770 -6.670 1.00 0.00 H new ATOM 164 N GLU A 11 9.290 23.715 -10.043 1.00 0.00 N ATOM 165 CA GLU A 11 9.879 24.433 -11.164 1.00 0.00 C ATOM 166 C GLU A 11 9.908 25.945 -10.903 1.00 0.00 C ATOM 167 O GLU A 11 9.210 26.437 -10.018 1.00 0.00 O ATOM 168 CB GLU A 11 9.081 24.093 -12.426 1.00 0.00 C ATOM 169 CG GLU A 11 9.900 24.300 -13.700 1.00 0.00 C ATOM 170 CD GLU A 11 11.109 23.368 -13.737 1.00 0.00 C ATOM 171 OE1 GLU A 11 10.903 22.165 -14.010 1.00 0.00 O ATOM 172 OE2 GLU A 11 12.231 23.864 -13.492 1.00 0.00 O ATOM 0 H GLU A 11 8.502 24.195 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 11 10.916 24.124 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.748 23.057 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.186 24.714 -12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.272 24.120 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.234 25.336 -13.756 1.00 0.00 H new ATOM 179 N ASP A 12 10.715 26.682 -11.673 1.00 0.00 N ATOM 180 CA ASP A 12 10.871 28.123 -11.505 1.00 0.00 C ATOM 181 C ASP A 12 9.926 28.927 -12.401 1.00 0.00 C ATOM 182 O ASP A 12 9.794 30.138 -12.226 1.00 0.00 O ATOM 183 CB ASP A 12 12.317 28.513 -11.804 1.00 0.00 C ATOM 184 CG ASP A 12 12.618 28.402 -13.296 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.727 29.469 -13.941 1.00 0.00 O ATOM 186 OD2 ASP A 12 12.736 27.252 -13.778 1.00 0.00 O ATOM 0 H ASP A 12 11.277 26.292 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 12 10.615 28.361 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.499 29.534 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.994 27.868 -11.244 1.00 0.00 H new ATOM 191 N GLU A 13 9.268 28.270 -13.362 1.00 0.00 N ATOM 192 CA GLU A 13 8.404 28.942 -14.319 1.00 0.00 C ATOM 193 C GLU A 13 7.195 28.059 -14.632 1.00 0.00 C ATOM 194 O GLU A 13 7.357 26.855 -14.843 1.00 0.00 O ATOM 195 CB GLU A 13 9.220 29.248 -15.580 1.00 0.00 C ATOM 196 CG GLU A 13 8.450 30.130 -16.567 1.00 0.00 C ATOM 197 CD GLU A 13 9.317 30.467 -17.779 1.00 0.00 C ATOM 198 OE1 GLU A 13 9.362 29.630 -18.705 1.00 0.00 O ATOM 199 OE2 GLU A 13 9.926 31.559 -17.767 1.00 0.00 O ATOM 0 H GLU A 13 9.324 27.260 -13.492 1.00 0.00 H new ATOM 0 HA GLU A 13 8.029 29.879 -13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.148 29.745 -15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.495 28.313 -16.069 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.545 29.616 -16.892 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.135 31.049 -16.072 1.00 0.00 H new ATOM 206 N PRO A 14 5.984 28.628 -14.668 1.00 0.00 N ATOM 207 CA PRO A 14 4.757 27.872 -14.863 1.00 0.00 C ATOM 208 C PRO A 14 4.654 27.285 -16.269 1.00 0.00 C ATOM 209 O PRO A 14 3.860 26.376 -16.487 1.00 0.00 O ATOM 210 CB PRO A 14 3.630 28.868 -14.595 1.00 0.00 C ATOM 211 CG PRO A 14 4.250 30.213 -14.966 1.00 0.00 C ATOM 212 CD PRO A 14 5.693 30.042 -14.497 1.00 0.00 C ATOM 0 HA PRO A 14 4.715 27.012 -14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.750 28.651 -15.200 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.314 28.846 -13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.190 30.408 -16.037 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.754 31.043 -14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.374 30.658 -15.085 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.807 30.345 -13.456 1.00 0.00 H new ATOM 220 N LEU A 15 5.442 27.784 -17.227 1.00 0.00 N ATOM 221 CA LEU A 15 5.418 27.249 -18.581 1.00 0.00 C ATOM 222 C LEU A 15 6.199 25.941 -18.639 1.00 0.00 C ATOM 223 O LEU A 15 5.811 25.007 -19.341 1.00 0.00 O ATOM 224 CB LEU A 15 6.005 28.277 -19.555 1.00 0.00 C ATOM 225 CG LEU A 15 5.243 29.607 -19.534 1.00 0.00 C ATOM 226 CD1 LEU A 15 5.896 30.573 -20.520 1.00 0.00 C ATOM 227 CD2 LEU A 15 3.777 29.415 -19.930 1.00 0.00 C ATOM 0 H LEU A 15 6.098 28.552 -17.086 1.00 0.00 H new ATOM 0 HA LEU A 15 4.387 27.045 -18.871 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.050 28.457 -19.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.987 27.867 -20.565 1.00 0.00 H new ATOM 0 HG LEU A 15 5.280 30.005 -18.520 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.359 31.521 -20.510 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.934 30.741 -20.232 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.862 30.147 -21.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.264 30.377 -19.905 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.723 29.001 -20.937 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.298 28.730 -19.230 1.00 0.00 H new ATOM 239 N ILE A 16 7.306 25.863 -17.895 1.00 0.00 N ATOM 240 CA ILE A 16 8.092 24.642 -17.830 1.00 0.00 C ATOM 241 C ILE A 16 7.388 23.655 -16.904 1.00 0.00 C ATOM 242 O ILE A 16 7.541 22.447 -17.059 1.00 0.00 O ATOM 243 CB ILE A 16 9.515 24.969 -17.355 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.186 26.022 -18.252 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.372 23.700 -17.323 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.292 25.587 -19.715 1.00 0.00 C ATOM 0 H ILE A 16 7.672 26.632 -17.333 1.00 0.00 H new ATOM 0 HA ILE A 16 8.177 24.183 -18.815 1.00 0.00 H new ATOM 0 HB ILE A 16 9.435 25.381 -16.349 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.620 26.952 -18.196 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.184 26.233 -17.869 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.378 23.949 -16.984 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.927 22.978 -16.639 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.422 23.269 -18.323 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.774 26.374 -20.295 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.883 24.673 -19.781 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.294 25.403 -20.113 1.00 0.00 H new ATOM 258 N ALA A 17 6.610 24.157 -15.938 1.00 0.00 N ATOM 259 CA ALA A 17 5.841 23.297 -15.057 1.00 0.00 C ATOM 260 C ALA A 17 4.749 22.573 -15.844 1.00 0.00 C ATOM 261 O ALA A 17 4.355 21.470 -15.474 1.00 0.00 O ATOM 262 CB ALA A 17 5.230 24.143 -13.941 1.00 0.00 C ATOM 0 H ALA A 17 6.502 25.154 -15.754 1.00 0.00 H new ATOM 0 HA ALA A 17 6.496 22.544 -14.619 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.651 23.503 -13.275 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.025 24.629 -13.376 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.577 24.901 -14.375 1.00 0.00 H new ATOM 268 N MET A 18 4.260 23.179 -16.931 1.00 0.00 N ATOM 269 CA MET A 18 3.272 22.535 -17.785 1.00 0.00 C ATOM 270 C MET A 18 3.940 21.485 -18.668 1.00 0.00 C ATOM 271 O MET A 18 3.292 20.517 -19.064 1.00 0.00 O ATOM 272 CB MET A 18 2.554 23.583 -18.636 1.00 0.00 C ATOM 273 CG MET A 18 1.605 24.418 -17.778 1.00 0.00 C ATOM 274 SD MET A 18 0.788 25.754 -18.689 1.00 0.00 S ATOM 275 CE MET A 18 -0.159 26.483 -17.330 1.00 0.00 C ATOM 0 H MET A 18 4.535 24.113 -17.235 1.00 0.00 H new ATOM 0 HA MET A 18 2.534 22.033 -17.159 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.286 24.233 -19.115 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.995 23.091 -19.432 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.845 23.764 -17.350 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.163 24.846 -16.945 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.734 27.331 -17.701 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.838 25.737 -16.918 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.524 26.821 -16.551 1.00 0.00 H new ATOM 285 N MET A 19 5.227 21.655 -18.981 1.00 0.00 N ATOM 286 CA MET A 19 5.961 20.641 -19.730 1.00 0.00 C ATOM 287 C MET A 19 6.249 19.439 -18.835 1.00 0.00 C ATOM 288 O MET A 19 6.269 18.306 -19.313 1.00 0.00 O ATOM 289 CB MET A 19 7.270 21.216 -20.272 1.00 0.00 C ATOM 290 CG MET A 19 7.010 22.291 -21.328 1.00 0.00 C ATOM 291 SD MET A 19 8.509 22.966 -22.082 1.00 0.00 S ATOM 292 CE MET A 19 9.147 21.481 -22.901 1.00 0.00 C ATOM 0 H MET A 19 5.775 22.478 -18.729 1.00 0.00 H new ATOM 0 HA MET A 19 5.349 20.320 -20.573 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.850 21.641 -19.453 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.870 20.415 -20.705 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.380 21.870 -22.112 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.448 23.105 -20.871 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.859 21.769 -23.674 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.645 20.847 -22.168 1.00 0.00 H new ATOM 0 HE3 MET A 19 8.321 20.932 -23.354 1.00 0.00 H new ATOM 302 N LEU A 20 6.468 19.669 -17.536 1.00 0.00 N ATOM 303 CA LEU A 20 6.726 18.588 -16.601 1.00 0.00 C ATOM 304 C LEU A 20 5.472 17.742 -16.407 1.00 0.00 C ATOM 305 O LEU A 20 5.572 16.540 -16.179 1.00 0.00 O ATOM 306 CB LEU A 20 7.201 19.176 -15.269 1.00 0.00 C ATOM 307 CG LEU A 20 8.721 19.107 -15.088 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.139 17.657 -14.849 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.456 19.698 -16.286 1.00 0.00 C ATOM 0 H LEU A 20 6.470 20.598 -17.115 1.00 0.00 H new ATOM 0 HA LEU A 20 7.506 17.940 -17.000 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.880 20.216 -15.203 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.719 18.641 -14.450 1.00 0.00 H new ATOM 0 HG LEU A 20 8.995 19.707 -14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.220 17.607 -14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.649 17.280 -13.951 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.847 17.048 -15.705 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.532 19.632 -16.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.191 19.142 -17.186 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.171 20.743 -16.408 1.00 0.00 H new ATOM 321 N GLU A 21 4.291 18.357 -16.502 1.00 0.00 N ATOM 322 CA GLU A 21 3.034 17.632 -16.392 1.00 0.00 C ATOM 323 C GLU A 21 2.700 16.939 -17.712 1.00 0.00 C ATOM 324 O GLU A 21 1.933 15.982 -17.729 1.00 0.00 O ATOM 325 CB GLU A 21 1.923 18.593 -15.971 1.00 0.00 C ATOM 326 CG GLU A 21 2.174 19.120 -14.559 1.00 0.00 C ATOM 327 CD GLU A 21 1.070 20.080 -14.118 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.653 20.910 -14.955 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.652 19.979 -12.942 1.00 0.00 O ATOM 0 H GLU A 21 4.184 19.360 -16.656 1.00 0.00 H new ATOM 0 HA GLU A 21 3.128 16.859 -15.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.871 19.426 -16.672 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.960 18.083 -16.009 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.231 18.284 -13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.137 19.630 -14.525 1.00 0.00 H new ATOM 336 N ASP A 22 3.270 17.414 -18.827 1.00 0.00 N ATOM 337 CA ASP A 22 3.027 16.814 -20.129 1.00 0.00 C ATOM 338 C ASP A 22 3.819 15.516 -20.266 1.00 0.00 C ATOM 339 O ASP A 22 3.292 14.522 -20.759 1.00 0.00 O ATOM 340 CB ASP A 22 3.394 17.810 -21.227 1.00 0.00 C ATOM 341 CG ASP A 22 3.061 17.252 -22.608 1.00 0.00 C ATOM 342 OD1 ASP A 22 1.852 17.189 -22.925 1.00 0.00 O ATOM 343 OD2 ASP A 22 4.016 16.891 -23.333 1.00 0.00 O ATOM 0 H ASP A 22 3.903 18.214 -18.845 1.00 0.00 H new ATOM 0 HA ASP A 22 1.970 16.569 -20.228 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.856 18.745 -21.069 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.458 18.042 -21.172 1.00 0.00 H new ATOM 348 N PHE A 23 5.083 15.513 -19.829 1.00 0.00 N ATOM 349 CA PHE A 23 5.876 14.293 -19.845 1.00 0.00 C ATOM 350 C PHE A 23 5.424 13.342 -18.737 1.00 0.00 C ATOM 351 O PHE A 23 5.706 12.148 -18.806 1.00 0.00 O ATOM 352 CB PHE A 23 7.360 14.636 -19.715 1.00 0.00 C ATOM 353 CG PHE A 23 7.982 15.123 -21.008 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.311 14.195 -22.009 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.237 16.488 -21.214 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.887 14.630 -23.210 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.807 16.921 -22.421 1.00 0.00 C ATOM 358 CZ PHE A 23 9.132 15.993 -23.420 1.00 0.00 C ATOM 0 H PHE A 23 5.568 16.333 -19.466 1.00 0.00 H new ATOM 0 HA PHE A 23 5.725 13.782 -20.796 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.482 15.403 -18.950 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.900 13.754 -19.371 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.120 13.144 -21.853 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.994 17.205 -20.444 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.143 13.913 -23.976 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.996 17.972 -22.581 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.570 16.328 -24.349 1.00 0.00 H new ATOM 368 N LEU A 24 4.722 13.849 -17.717 1.00 0.00 N ATOM 369 CA LEU A 24 4.194 12.999 -16.661 1.00 0.00 C ATOM 370 C LEU A 24 3.062 12.126 -17.205 1.00 0.00 C ATOM 371 O LEU A 24 2.839 11.018 -16.718 1.00 0.00 O ATOM 372 CB LEU A 24 3.688 13.891 -15.523 1.00 0.00 C ATOM 373 CG LEU A 24 3.382 13.094 -14.252 1.00 0.00 C ATOM 374 CD1 LEU A 24 4.679 12.644 -13.582 1.00 0.00 C ATOM 375 CD2 LEU A 24 2.613 13.977 -13.275 1.00 0.00 C ATOM 0 H LEU A 24 4.511 14.841 -17.607 1.00 0.00 H new ATOM 0 HA LEU A 24 4.977 12.340 -16.286 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.436 14.652 -15.301 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.788 14.414 -15.847 1.00 0.00 H new ATOM 0 HG LEU A 24 2.790 12.219 -14.523 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.445 12.079 -12.680 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.244 12.014 -14.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.275 13.518 -13.318 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.394 13.412 -12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.215 14.850 -13.022 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.680 14.301 -13.735 1.00 0.00 H new ATOM 387 N GLU A 25 2.345 12.619 -18.219 1.00 0.00 N ATOM 388 CA GLU A 25 1.244 11.888 -18.825 1.00 0.00 C ATOM 389 C GLU A 25 1.742 10.918 -19.898 1.00 0.00 C ATOM 390 O GLU A 25 1.121 9.881 -20.123 1.00 0.00 O ATOM 391 CB GLU A 25 0.241 12.899 -19.391 1.00 0.00 C ATOM 392 CG GLU A 25 -1.019 12.206 -19.911 1.00 0.00 C ATOM 393 CD GLU A 25 -2.050 13.224 -20.390 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.876 13.647 -19.552 1.00 0.00 O ATOM 395 OE2 GLU A 25 -2.004 13.576 -21.592 1.00 0.00 O ATOM 0 H GLU A 25 2.516 13.534 -18.637 1.00 0.00 H new ATOM 0 HA GLU A 25 0.749 11.278 -18.070 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.030 13.617 -18.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.707 13.463 -20.199 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.757 11.536 -20.730 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.451 11.591 -19.122 1.00 0.00 H new ATOM 402 N VAL A 26 2.858 11.242 -20.561 1.00 0.00 N ATOM 403 CA VAL A 26 3.434 10.370 -21.584 1.00 0.00 C ATOM 404 C VAL A 26 4.053 9.133 -20.933 1.00 0.00 C ATOM 405 O VAL A 26 4.186 8.095 -21.581 1.00 0.00 O ATOM 406 CB VAL A 26 4.464 11.157 -22.403 1.00 0.00 C ATOM 407 CG1 VAL A 26 5.215 10.263 -23.389 1.00 0.00 C ATOM 408 CG2 VAL A 26 3.755 12.248 -23.207 1.00 0.00 C ATOM 0 H VAL A 26 3.379 12.105 -20.405 1.00 0.00 H new ATOM 0 HA VAL A 26 2.652 10.026 -22.261 1.00 0.00 H new ATOM 0 HB VAL A 26 5.177 11.583 -21.698 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.934 10.862 -23.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.741 9.480 -22.843 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.506 9.808 -24.081 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.489 12.806 -23.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.030 11.791 -23.880 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.240 12.926 -22.526 1.00 0.00 H new ATOM 418 N LEU A 27 4.434 9.236 -19.656 1.00 0.00 N ATOM 419 CA LEU A 27 4.984 8.119 -18.894 1.00 0.00 C ATOM 420 C LEU A 27 3.890 7.410 -18.091 1.00 0.00 C ATOM 421 O LEU A 27 4.195 6.520 -17.297 1.00 0.00 O ATOM 422 CB LEU A 27 6.122 8.615 -17.993 1.00 0.00 C ATOM 423 CG LEU A 27 7.490 8.658 -18.689 1.00 0.00 C ATOM 424 CD1 LEU A 27 7.992 7.244 -18.978 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.471 9.442 -20.000 1.00 0.00 C ATOM 0 H LEU A 27 4.368 10.103 -19.122 1.00 0.00 H new ATOM 0 HA LEU A 27 5.394 7.384 -19.587 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.877 9.614 -17.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.190 7.967 -17.119 1.00 0.00 H new ATOM 0 HG LEU A 27 8.159 9.170 -17.998 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.963 7.296 -19.471 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.090 6.694 -18.042 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.282 6.731 -19.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.467 9.435 -20.443 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.764 8.980 -20.690 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.168 10.471 -19.804 1.00 0.00 H new ATOM 437 N ASP A 28 2.623 7.793 -18.289 1.00 0.00 N ATOM 438 CA ASP A 28 1.482 7.205 -17.590 1.00 0.00 C ATOM 439 C ASP A 28 1.704 7.181 -16.074 1.00 0.00 C ATOM 440 O ASP A 28 1.323 6.232 -15.387 1.00 0.00 O ATOM 441 CB ASP A 28 1.155 5.833 -18.185 1.00 0.00 C ATOM 442 CG ASP A 28 -0.164 5.277 -17.651 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.182 4.075 -17.301 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.143 6.056 -17.597 1.00 0.00 O ATOM 0 H ASP A 28 2.362 8.528 -18.947 1.00 0.00 H new ATOM 0 HA ASP A 28 0.604 7.833 -17.741 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.102 5.912 -19.271 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.961 5.137 -17.955 1.00 0.00 H new ATOM 449 N LYS A 29 2.331 8.239 -15.550 1.00 0.00 N ATOM 450 CA LYS A 29 2.699 8.350 -14.147 1.00 0.00 C ATOM 451 C LYS A 29 1.530 8.901 -13.331 1.00 0.00 C ATOM 452 O LYS A 29 0.632 9.533 -13.888 1.00 0.00 O ATOM 453 CB LYS A 29 3.923 9.267 -14.053 1.00 0.00 C ATOM 454 CG LYS A 29 5.067 8.638 -13.259 1.00 0.00 C ATOM 455 CD LYS A 29 4.677 8.431 -11.798 1.00 0.00 C ATOM 456 CE LYS A 29 5.897 7.996 -11.000 1.00 0.00 C ATOM 457 NZ LYS A 29 6.398 6.681 -11.453 1.00 0.00 N ATOM 0 H LYS A 29 2.599 9.053 -16.104 1.00 0.00 H new ATOM 0 HA LYS A 29 2.942 7.370 -13.737 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.271 9.507 -15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.633 10.207 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.339 7.681 -13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.947 9.278 -13.316 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.271 9.354 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.894 7.677 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.685 8.742 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.642 7.945 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.902 6.214 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.597 6.089 -11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.048 6.814 -12.254 1.00 0.00 H new ATOM 471 N THR A 30 1.530 8.667 -12.014 1.00 0.00 N ATOM 472 CA THR A 30 0.464 9.156 -11.149 1.00 0.00 C ATOM 473 C THR A 30 0.851 10.525 -10.589 1.00 0.00 C ATOM 474 O THR A 30 1.908 10.655 -9.973 1.00 0.00 O ATOM 475 CB THR A 30 0.193 8.136 -10.040 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.174 6.907 -10.621 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.943 8.606 -9.131 1.00 0.00 C ATOM 0 H THR A 30 2.258 8.142 -11.529 1.00 0.00 H new ATOM 0 HA THR A 30 -0.458 9.278 -11.717 1.00 0.00 H new ATOM 0 HB THR A 30 1.100 8.025 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.347 6.250 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.116 7.864 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.672 9.557 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.852 8.732 -9.720 1.00 0.00 H new ATOM 485 N PRO A 31 0.014 11.551 -10.787 1.00 0.00 N ATOM 486 CA PRO A 31 0.256 12.895 -10.289 1.00 0.00 C ATOM 487 C PRO A 31 -0.030 12.980 -8.791 1.00 0.00 C ATOM 488 O PRO A 31 -0.830 12.207 -8.266 1.00 0.00 O ATOM 489 CB PRO A 31 -0.692 13.788 -11.088 1.00 0.00 C ATOM 490 CG PRO A 31 -1.888 12.867 -11.323 1.00 0.00 C ATOM 491 CD PRO A 31 -1.237 11.500 -11.525 1.00 0.00 C ATOM 0 HA PRO A 31 1.296 13.199 -10.412 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.971 14.683 -10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.245 14.120 -12.025 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.570 12.867 -10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.466 13.171 -12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.879 10.701 -11.154 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.061 11.302 -12.582 1.00 0.00 H new ATOM 499 N VAL A 32 0.626 13.924 -8.109 1.00 0.00 N ATOM 500 CA VAL A 32 0.437 14.125 -6.676 1.00 0.00 C ATOM 501 C VAL A 32 0.456 15.608 -6.314 1.00 0.00 C ATOM 502 O VAL A 32 -0.070 15.992 -5.269 1.00 0.00 O ATOM 503 CB VAL A 32 1.522 13.372 -5.895 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.506 11.879 -6.221 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.919 13.903 -6.214 1.00 0.00 C ATOM 0 H VAL A 32 1.297 14.564 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.542 13.730 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 32 1.299 13.529 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.286 11.374 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.535 11.459 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.685 11.737 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.660 13.345 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.119 13.785 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.976 14.959 -5.949 1.00 0.00 H new ATOM 515 N GLY A 33 1.057 16.447 -7.161 1.00 0.00 N ATOM 516 CA GLY A 33 1.090 17.882 -6.949 1.00 0.00 C ATOM 517 C GLY A 33 2.130 18.563 -7.828 1.00 0.00 C ATOM 518 O GLY A 33 3.029 17.914 -8.363 1.00 0.00 O ATOM 0 H GLY A 33 1.532 16.143 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.106 18.302 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.309 18.089 -5.901 1.00 0.00 H new ATOM 522 N THR A 34 1.995 19.885 -7.964 1.00 0.00 N ATOM 523 CA THR A 34 2.932 20.732 -8.693 1.00 0.00 C ATOM 524 C THR A 34 3.026 22.061 -7.957 1.00 0.00 C ATOM 525 O THR A 34 2.001 22.619 -7.561 1.00 0.00 O ATOM 526 CB THR A 34 2.450 20.943 -10.134 1.00 0.00 C ATOM 527 OG1 THR A 34 2.311 19.699 -10.781 1.00 0.00 O ATOM 528 CG2 THR A 34 3.441 21.800 -10.921 1.00 0.00 C ATOM 0 H THR A 34 1.214 20.403 -7.561 1.00 0.00 H new ATOM 0 HA THR A 34 3.914 20.261 -8.741 1.00 0.00 H new ATOM 0 HB THR A 34 1.488 21.455 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.782 19.812 -11.598 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.077 21.935 -11.939 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.543 22.773 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.411 21.304 -10.946 1.00 0.00 H new ATOM 536 N VAL A 35 4.242 22.572 -7.765 1.00 0.00 N ATOM 537 CA VAL A 35 4.466 23.785 -6.988 1.00 0.00 C ATOM 538 C VAL A 35 5.542 24.659 -7.630 1.00 0.00 C ATOM 539 O VAL A 35 6.334 24.189 -8.446 1.00 0.00 O ATOM 540 CB VAL A 35 4.848 23.418 -5.548 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.722 22.650 -4.857 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.101 22.544 -5.517 1.00 0.00 C ATOM 0 H VAL A 35 5.094 22.157 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 35 3.541 24.362 -6.971 1.00 0.00 H new ATOM 0 HB VAL A 35 5.034 24.356 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.021 22.404 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.823 23.266 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.517 21.732 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.348 22.299 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.917 21.625 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.932 23.083 -5.971 1.00 0.00 H new ATOM 552 N ASP A 36 5.563 25.941 -7.250 1.00 0.00 N ATOM 553 CA ASP A 36 6.488 26.921 -7.805 1.00 0.00 C ATOM 554 C ASP A 36 7.097 27.806 -6.708 1.00 0.00 C ATOM 555 O ASP A 36 7.845 28.734 -7.011 1.00 0.00 O ATOM 556 CB ASP A 36 5.753 27.785 -8.834 1.00 0.00 C ATOM 557 CG ASP A 36 5.162 26.951 -9.966 1.00 0.00 C ATOM 558 OD1 ASP A 36 3.987 26.539 -9.827 1.00 0.00 O ATOM 559 OD2 ASP A 36 5.887 26.733 -10.962 1.00 0.00 O ATOM 0 H ASP A 36 4.934 26.325 -6.545 1.00 0.00 H new ATOM 0 HA ASP A 36 7.307 26.387 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.956 28.339 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.443 28.520 -9.248 1.00 0.00 H new ATOM 564 N THR A 37 6.783 27.532 -5.438 1.00 0.00 N ATOM 565 CA THR A 37 7.260 28.318 -4.307 1.00 0.00 C ATOM 566 C THR A 37 7.647 27.413 -3.145 1.00 0.00 C ATOM 567 O THR A 37 7.239 26.253 -3.089 1.00 0.00 O ATOM 568 CB THR A 37 6.185 29.313 -3.856 1.00 0.00 C ATOM 569 OG1 THR A 37 5.043 28.608 -3.428 1.00 0.00 O ATOM 570 CG2 THR A 37 5.785 30.263 -4.984 1.00 0.00 C ATOM 0 H THR A 37 6.185 26.751 -5.169 1.00 0.00 H new ATOM 0 HA THR A 37 8.143 28.870 -4.628 1.00 0.00 H new ATOM 0 HB THR A 37 6.601 29.904 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.356 29.244 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.021 30.953 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.658 30.827 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.390 29.688 -5.821 1.00 0.00 H new ATOM 578 N VAL A 38 8.437 27.944 -2.206 1.00 0.00 N ATOM 579 CA VAL A 38 8.900 27.182 -1.049 1.00 0.00 C ATOM 580 C VAL A 38 7.741 26.914 -0.096 1.00 0.00 C ATOM 581 O VAL A 38 7.703 25.871 0.557 1.00 0.00 O ATOM 582 CB VAL A 38 10.013 27.970 -0.340 1.00 0.00 C ATOM 583 CG1 VAL A 38 10.534 27.203 0.876 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.184 28.213 -1.292 1.00 0.00 C ATOM 0 H VAL A 38 8.770 28.908 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 38 9.295 26.221 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 38 9.588 28.921 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.321 27.781 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.718 27.039 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.935 26.242 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.964 28.772 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.585 27.256 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.839 28.784 -2.154 1.00 0.00 H new ATOM 594 N ALA A 39 6.787 27.846 -0.011 1.00 0.00 N ATOM 595 CA ALA A 39 5.639 27.688 0.869 1.00 0.00 C ATOM 596 C ALA A 39 4.617 26.727 0.262 1.00 0.00 C ATOM 597 O ALA A 39 3.897 26.052 0.996 1.00 0.00 O ATOM 598 CB ALA A 39 5.022 29.062 1.124 1.00 0.00 C ATOM 0 H ALA A 39 6.792 28.716 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 39 5.961 27.257 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.160 28.957 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.761 29.711 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.704 29.500 0.178 1.00 0.00 H new ATOM 604 N GLY A 40 4.549 26.661 -1.071 1.00 0.00 N ATOM 605 CA GLY A 40 3.650 25.747 -1.748 1.00 0.00 C ATOM 606 C GLY A 40 4.193 24.325 -1.692 1.00 0.00 C ATOM 607 O GLY A 40 3.421 23.368 -1.624 1.00 0.00 O ATOM 0 H GLY A 40 5.112 27.236 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.665 25.785 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.524 26.054 -2.786 1.00 0.00 H new ATOM 611 N ALA A 41 5.521 24.172 -1.714 1.00 0.00 N ATOM 612 CA ALA A 41 6.144 22.862 -1.650 1.00 0.00 C ATOM 613 C ALA A 41 5.936 22.238 -0.274 1.00 0.00 C ATOM 614 O ALA A 41 5.793 21.020 -0.167 1.00 0.00 O ATOM 615 CB ALA A 41 7.636 23.007 -1.960 1.00 0.00 C ATOM 0 H ALA A 41 6.181 24.948 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 41 5.685 22.202 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.114 22.028 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.761 23.426 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.097 23.670 -1.228 1.00 0.00 H new ATOM 621 N LEU A 42 5.911 23.058 0.780 1.00 0.00 N ATOM 622 CA LEU A 42 5.667 22.557 2.123 1.00 0.00 C ATOM 623 C LEU A 42 4.184 22.223 2.296 1.00 0.00 C ATOM 624 O LEU A 42 3.838 21.341 3.079 1.00 0.00 O ATOM 625 CB LEU A 42 6.129 23.617 3.130 1.00 0.00 C ATOM 626 CG LEU A 42 5.941 23.180 4.586 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.730 21.905 4.889 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.433 24.295 5.509 1.00 0.00 C ATOM 0 H LEU A 42 6.057 24.066 0.724 1.00 0.00 H new ATOM 0 HA LEU A 42 6.229 21.639 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.182 23.841 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.574 24.540 2.959 1.00 0.00 H new ATOM 0 HG LEU A 42 4.882 22.980 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.576 21.621 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.386 21.101 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.791 22.084 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.303 23.992 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.489 24.487 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.859 25.202 5.321 1.00 0.00 H new ATOM 640 N ALA A 43 3.308 22.921 1.573 1.00 0.00 N ATOM 641 CA ALA A 43 1.874 22.721 1.695 1.00 0.00 C ATOM 642 C ALA A 43 1.417 21.429 1.013 1.00 0.00 C ATOM 643 O ALA A 43 0.421 20.845 1.431 1.00 0.00 O ATOM 644 CB ALA A 43 1.158 23.934 1.105 1.00 0.00 C ATOM 0 H ALA A 43 3.575 23.634 0.894 1.00 0.00 H new ATOM 0 HA ALA A 43 1.621 22.620 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.080 23.797 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.454 24.831 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.428 24.041 0.054 1.00 0.00 H new ATOM 650 N ARG A 44 2.127 20.974 -0.026 1.00 0.00 N ATOM 651 CA ARG A 44 1.775 19.734 -0.711 1.00 0.00 C ATOM 652 C ARG A 44 2.416 18.517 -0.060 1.00 0.00 C ATOM 653 O ARG A 44 1.876 17.418 -0.161 1.00 0.00 O ATOM 654 CB ARG A 44 2.167 19.823 -2.189 1.00 0.00 C ATOM 655 CG ARG A 44 1.314 20.831 -2.968 1.00 0.00 C ATOM 656 CD ARG A 44 -0.183 20.525 -2.858 1.00 0.00 C ATOM 657 NE ARG A 44 -0.473 19.129 -3.212 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.118 18.262 -2.423 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.590 18.634 -1.236 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.293 17.007 -2.824 1.00 0.00 N ATOM 0 H ARG A 44 2.946 21.448 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 44 0.695 19.607 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.217 20.106 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.068 18.839 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.507 21.836 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.610 20.821 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.522 20.722 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.741 21.192 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.160 18.797 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.463 19.594 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.079 17.960 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.936 16.707 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.784 16.344 -2.225 1.00 0.00 H new ATOM 674 N VAL A 45 3.560 18.691 0.606 1.00 0.00 N ATOM 675 CA VAL A 45 4.266 17.585 1.241 1.00 0.00 C ATOM 676 C VAL A 45 3.693 17.274 2.624 1.00 0.00 C ATOM 677 O VAL A 45 3.877 16.165 3.125 1.00 0.00 O ATOM 678 CB VAL A 45 5.765 17.911 1.287 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.557 16.874 2.078 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.326 17.927 -0.136 1.00 0.00 C ATOM 0 H VAL A 45 4.017 19.596 0.718 1.00 0.00 H new ATOM 0 HA VAL A 45 4.127 16.678 0.652 1.00 0.00 H new ATOM 0 HB VAL A 45 5.865 18.881 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.612 17.148 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.187 16.838 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.438 15.895 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.391 18.158 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.181 16.949 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.807 18.685 -0.723 1.00 0.00 H new ATOM 690 N GLU A 46 3.002 18.227 3.261 1.00 0.00 N ATOM 691 CA GLU A 46 2.515 18.019 4.620 1.00 0.00 C ATOM 692 C GLU A 46 1.209 17.220 4.668 1.00 0.00 C ATOM 693 O GLU A 46 0.905 16.612 5.693 1.00 0.00 O ATOM 694 CB GLU A 46 2.387 19.376 5.320 1.00 0.00 C ATOM 695 CG GLU A 46 2.241 19.216 6.836 1.00 0.00 C ATOM 696 CD GLU A 46 3.449 18.491 7.432 1.00 0.00 C ATOM 697 OE1 GLU A 46 3.266 17.347 7.903 1.00 0.00 O ATOM 698 OE2 GLU A 46 4.553 19.075 7.412 1.00 0.00 O ATOM 0 H GLU A 46 2.772 19.136 2.860 1.00 0.00 H new ATOM 0 HA GLU A 46 3.242 17.408 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.265 19.984 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.523 19.910 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.136 20.197 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.331 18.659 7.060 1.00 0.00 H new ATOM 705 N ASP A 47 0.422 17.205 3.582 1.00 0.00 N ATOM 706 CA ASP A 47 -0.808 16.415 3.539 1.00 0.00 C ATOM 707 C ASP A 47 -0.804 15.396 2.399 1.00 0.00 C ATOM 708 O ASP A 47 -1.643 14.496 2.378 1.00 0.00 O ATOM 709 CB ASP A 47 -2.038 17.328 3.483 1.00 0.00 C ATOM 710 CG ASP A 47 -2.169 18.071 2.156 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.394 17.397 1.126 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.042 19.316 2.183 1.00 0.00 O ATOM 0 H ASP A 47 0.617 17.729 2.729 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.859 15.839 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.935 16.731 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.983 18.053 4.295 1.00 0.00 H new ATOM 717 N GLY A 48 0.131 15.531 1.452 1.00 0.00 N ATOM 718 CA GLY A 48 0.275 14.600 0.347 1.00 0.00 C ATOM 719 C GLY A 48 1.178 13.432 0.728 1.00 0.00 C ATOM 720 O GLY A 48 1.464 13.210 1.906 1.00 0.00 O ATOM 0 H GLY A 48 0.807 16.294 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.705 14.225 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.690 15.118 -0.517 1.00 0.00 H new ATOM 724 N GLY A 49 1.634 12.686 -0.278 1.00 0.00 N ATOM 725 CA GLY A 49 2.560 11.585 -0.083 1.00 0.00 C ATOM 726 C GLY A 49 3.398 11.377 -1.339 1.00 0.00 C ATOM 727 O GLY A 49 2.871 11.423 -2.449 1.00 0.00 O ATOM 0 H GLY A 49 1.367 12.833 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.210 11.792 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.010 10.674 0.151 1.00 0.00 H new ATOM 731 N ILE A 50 4.701 11.150 -1.157 1.00 0.00 N ATOM 732 CA ILE A 50 5.652 10.975 -2.247 1.00 0.00 C ATOM 733 C ILE A 50 6.759 10.007 -1.849 1.00 0.00 C ATOM 734 O ILE A 50 6.942 9.706 -0.671 1.00 0.00 O ATOM 735 CB ILE A 50 6.281 12.318 -2.651 1.00 0.00 C ATOM 736 CG1 ILE A 50 6.763 13.101 -1.421 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.285 13.126 -3.473 1.00 0.00 C ATOM 738 CD1 ILE A 50 7.462 14.401 -1.827 1.00 0.00 C ATOM 0 H ILE A 50 5.127 11.082 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 50 5.103 10.567 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 50 7.160 12.123 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.914 13.328 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.448 12.484 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.735 14.077 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.017 12.569 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.389 13.311 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.791 14.932 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.326 14.170 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.768 15.028 -2.386 1.00 0.00 H new ATOM 750 N ASP A 51 7.495 9.524 -2.851 1.00 0.00 N ATOM 751 CA ASP A 51 8.672 8.701 -2.626 1.00 0.00 C ATOM 752 C ASP A 51 9.886 9.325 -3.314 1.00 0.00 C ATOM 753 O ASP A 51 11.013 8.895 -3.090 1.00 0.00 O ATOM 754 CB ASP A 51 8.410 7.286 -3.134 1.00 0.00 C ATOM 755 CG ASP A 51 9.342 6.259 -2.490 1.00 0.00 C ATOM 756 OD1 ASP A 51 9.743 5.311 -3.199 1.00 0.00 O ATOM 757 OD2 ASP A 51 9.655 6.425 -1.288 1.00 0.00 O ATOM 0 H ASP A 51 7.289 9.694 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 51 8.885 8.647 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.375 7.014 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.537 7.261 -4.216 1.00 0.00 H new ATOM 762 N ALA A 52 9.647 10.338 -4.156 1.00 0.00 N ATOM 763 CA ALA A 52 10.697 11.104 -4.809 1.00 0.00 C ATOM 764 C ALA A 52 10.095 12.390 -5.382 1.00 0.00 C ATOM 765 O ALA A 52 8.873 12.508 -5.481 1.00 0.00 O ATOM 766 CB ALA A 52 11.322 10.266 -5.923 1.00 0.00 C ATOM 0 H ALA A 52 8.706 10.646 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 52 11.473 11.363 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.109 10.840 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.747 9.356 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.557 10.003 -6.653 1.00 0.00 H new ATOM 772 N ALA A 53 10.925 13.358 -5.764 1.00 0.00 N ATOM 773 CA ALA A 53 10.433 14.576 -6.396 1.00 0.00 C ATOM 774 C ALA A 53 11.464 15.181 -7.347 1.00 0.00 C ATOM 775 O ALA A 53 12.662 14.918 -7.229 1.00 0.00 O ATOM 776 CB ALA A 53 10.050 15.578 -5.309 1.00 0.00 C ATOM 0 H ALA A 53 11.938 13.321 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 53 9.558 14.327 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.681 16.493 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.271 15.150 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.925 15.807 -4.700 1.00 0.00 H new ATOM 782 N ILE A 54 10.991 15.997 -8.296 1.00 0.00 N ATOM 783 CA ILE A 54 11.839 16.718 -9.235 1.00 0.00 C ATOM 784 C ILE A 54 12.034 18.133 -8.705 1.00 0.00 C ATOM 785 O ILE A 54 11.053 18.852 -8.513 1.00 0.00 O ATOM 786 CB ILE A 54 11.184 16.749 -10.623 1.00 0.00 C ATOM 787 CG1 ILE A 54 10.743 15.355 -11.097 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.157 17.368 -11.632 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.884 14.336 -11.141 1.00 0.00 C ATOM 0 H ILE A 54 9.995 16.173 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 54 12.804 16.221 -9.332 1.00 0.00 H new ATOM 0 HB ILE A 54 10.283 17.358 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.961 14.985 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.304 15.440 -12.091 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.693 17.391 -12.618 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.403 18.384 -11.324 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.068 16.770 -11.673 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.501 13.375 -11.484 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.657 14.684 -11.827 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.309 14.222 -10.144 1.00 0.00 H new ATOM 801 N LEU A 55 13.284 18.539 -8.465 1.00 0.00 N ATOM 802 CA LEU A 55 13.577 19.815 -7.827 1.00 0.00 C ATOM 803 C LEU A 55 14.380 20.738 -8.740 1.00 0.00 C ATOM 804 O LEU A 55 15.446 20.367 -9.226 1.00 0.00 O ATOM 805 CB LEU A 55 14.370 19.576 -6.534 1.00 0.00 C ATOM 806 CG LEU A 55 13.539 19.242 -5.290 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.746 20.464 -4.836 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.564 18.091 -5.513 1.00 0.00 C ATOM 0 H LEU A 55 14.112 17.994 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 55 12.625 20.298 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.073 18.761 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.961 20.467 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 55 14.253 18.936 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.161 20.210 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.433 21.275 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.076 20.781 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.006 17.904 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.871 18.351 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.117 17.194 -5.790 1.00 0.00 H new ATOM 820 N ASP A 56 13.857 21.948 -8.964 1.00 0.00 N ATOM 821 CA ASP A 56 14.620 23.007 -9.602 1.00 0.00 C ATOM 822 C ASP A 56 15.707 23.426 -8.616 1.00 0.00 C ATOM 823 O ASP A 56 15.394 23.888 -7.519 1.00 0.00 O ATOM 824 CB ASP A 56 13.697 24.189 -9.901 1.00 0.00 C ATOM 825 CG ASP A 56 14.505 25.447 -10.195 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.264 26.463 -9.503 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.357 25.383 -11.107 1.00 0.00 O ATOM 0 H ASP A 56 12.905 22.211 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 56 15.060 22.671 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.061 23.953 -10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.038 24.365 -9.051 1.00 0.00 H new ATOM 832 N VAL A 57 16.979 23.269 -8.987 1.00 0.00 N ATOM 833 CA VAL A 57 18.061 23.478 -8.036 1.00 0.00 C ATOM 834 C VAL A 57 18.709 24.855 -8.151 1.00 0.00 C ATOM 835 O VAL A 57 19.206 25.373 -7.155 1.00 0.00 O ATOM 836 CB VAL A 57 19.082 22.343 -8.158 1.00 0.00 C ATOM 837 CG1 VAL A 57 19.888 22.442 -9.454 1.00 0.00 C ATOM 838 CG2 VAL A 57 20.036 22.363 -6.967 1.00 0.00 C ATOM 0 H VAL A 57 17.278 23.002 -9.925 1.00 0.00 H new ATOM 0 HA VAL A 57 17.630 23.456 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 57 18.526 21.405 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.601 21.619 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.212 22.388 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.426 23.390 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.757 21.552 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.564 23.316 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.469 22.235 -6.045 1.00 0.00 H new ATOM 848 N ASN A 58 18.710 25.455 -9.346 1.00 0.00 N ATOM 849 CA ASN A 58 19.357 26.742 -9.545 1.00 0.00 C ATOM 850 C ASN A 58 18.796 27.452 -10.777 1.00 0.00 C ATOM 851 O ASN A 58 18.289 26.813 -11.695 1.00 0.00 O ATOM 852 CB ASN A 58 20.865 26.517 -9.695 1.00 0.00 C ATOM 853 CG ASN A 58 21.654 27.814 -9.581 1.00 0.00 C ATOM 854 OD1 ASN A 58 21.158 28.817 -9.072 1.00 0.00 O ATOM 855 ND2 ASN A 58 22.893 27.805 -10.059 1.00 0.00 N ATOM 0 H ASN A 58 18.271 25.067 -10.181 1.00 0.00 H new ATOM 0 HA ASN A 58 19.163 27.380 -8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 58 21.204 25.819 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 58 21.067 26.054 -10.661 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.465 28.648 -10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 58 23.273 26.955 -10.475 1.00 0.00 H new ATOM 967 N THR A 66 18.492 25.807 -4.244 1.00 0.00 N ATOM 968 CA THR A 66 17.186 25.719 -3.596 1.00 0.00 C ATOM 969 C THR A 66 17.306 25.133 -2.186 1.00 0.00 C ATOM 970 O THR A 66 18.074 24.193 -1.974 1.00 0.00 O ATOM 971 CB THR A 66 16.231 24.882 -4.446 1.00 0.00 C ATOM 972 OG1 THR A 66 14.945 24.923 -3.866 1.00 0.00 O ATOM 973 CG2 THR A 66 16.672 23.419 -4.522 1.00 0.00 C ATOM 0 HA THR A 66 16.783 26.728 -3.504 1.00 0.00 H new ATOM 0 HB THR A 66 16.229 25.299 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.325 24.390 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.967 22.858 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.666 23.361 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 66 16.698 22.994 -3.518 1.00 0.00 H new ATOM 981 N PRO A 67 16.558 25.672 -1.215 1.00 0.00 N ATOM 982 CA PRO A 67 16.482 25.137 0.131 1.00 0.00 C ATOM 983 C PRO A 67 15.470 23.993 0.218 1.00 0.00 C ATOM 984 O PRO A 67 15.416 23.301 1.231 1.00 0.00 O ATOM 985 CB PRO A 67 16.015 26.324 0.973 1.00 0.00 C ATOM 986 CG PRO A 67 15.065 27.050 0.022 1.00 0.00 C ATOM 987 CD PRO A 67 15.739 26.868 -1.336 1.00 0.00 C ATOM 0 HA PRO A 67 17.434 24.723 0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.510 26.002 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.848 26.958 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.066 26.615 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.959 28.103 0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.999 26.756 -2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.349 27.735 -1.589 1.00 0.00 H new ATOM 995 N VAL A 68 14.669 23.787 -0.834 1.00 0.00 N ATOM 996 CA VAL A 68 13.582 22.814 -0.799 1.00 0.00 C ATOM 997 C VAL A 68 14.113 21.384 -0.881 1.00 0.00 C ATOM 998 O VAL A 68 13.496 20.471 -0.339 1.00 0.00 O ATOM 999 CB VAL A 68 12.598 23.098 -1.940 1.00 0.00 C ATOM 1000 CG1 VAL A 68 11.381 22.176 -1.846 1.00 0.00 C ATOM 1001 CG2 VAL A 68 12.089 24.539 -1.870 1.00 0.00 C ATOM 0 H VAL A 68 14.757 24.285 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 68 13.060 22.911 0.153 1.00 0.00 H new ATOM 0 HB VAL A 68 13.132 22.929 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.695 22.394 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.705 21.137 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.874 22.339 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.392 24.719 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.581 24.700 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.931 25.227 -1.952 1.00 0.00 H new ATOM 1011 N ALA A 69 15.252 21.172 -1.548 1.00 0.00 N ATOM 1012 CA ALA A 69 15.812 19.834 -1.679 1.00 0.00 C ATOM 1013 C ALA A 69 16.313 19.331 -0.328 1.00 0.00 C ATOM 1014 O ALA A 69 16.192 18.147 -0.016 1.00 0.00 O ATOM 1015 CB ALA A 69 16.955 19.868 -2.696 1.00 0.00 C ATOM 0 H ALA A 69 15.796 21.907 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 69 15.039 19.149 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.380 18.869 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.574 20.202 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.727 20.557 -2.353 1.00 0.00 H new ATOM 1021 N GLU A 70 16.873 20.227 0.484 1.00 0.00 N ATOM 1022 CA GLU A 70 17.413 19.852 1.781 1.00 0.00 C ATOM 1023 C GLU A 70 16.318 19.817 2.842 1.00 0.00 C ATOM 1024 O GLU A 70 16.503 19.216 3.899 1.00 0.00 O ATOM 1025 CB GLU A 70 18.563 20.791 2.143 1.00 0.00 C ATOM 1026 CG GLU A 70 19.722 20.505 1.183 1.00 0.00 C ATOM 1027 CD GLU A 70 20.895 21.453 1.419 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.713 21.149 2.320 1.00 0.00 O ATOM 1029 OE2 GLU A 70 20.972 22.474 0.698 1.00 0.00 O ATOM 0 H GLU A 70 16.962 21.218 0.262 1.00 0.00 H new ATOM 0 HA GLU A 70 17.814 18.840 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.247 21.831 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 70 18.874 20.633 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.055 19.475 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.376 20.603 0.154 1.00 0.00 H new ATOM 1036 N ALA A 71 15.170 20.449 2.574 1.00 0.00 N ATOM 1037 CA ALA A 71 14.014 20.312 3.442 1.00 0.00 C ATOM 1038 C ALA A 71 13.419 18.916 3.254 1.00 0.00 C ATOM 1039 O ALA A 71 12.887 18.324 4.195 1.00 0.00 O ATOM 1040 CB ALA A 71 12.998 21.400 3.104 1.00 0.00 C ATOM 0 H ALA A 71 15.025 21.055 1.766 1.00 0.00 H new ATOM 0 HA ALA A 71 14.301 20.429 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.128 21.300 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.451 22.380 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.688 21.298 2.064 1.00 0.00 H new ATOM 1046 N LEU A 72 13.515 18.381 2.031 1.00 0.00 N ATOM 1047 CA LEU A 72 13.082 17.023 1.743 1.00 0.00 C ATOM 1048 C LEU A 72 14.104 16.029 2.289 1.00 0.00 C ATOM 1049 O LEU A 72 13.748 14.897 2.599 1.00 0.00 O ATOM 1050 CB LEU A 72 12.905 16.842 0.234 1.00 0.00 C ATOM 1051 CG LEU A 72 11.712 17.634 -0.311 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.695 17.520 -1.834 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.392 17.089 0.234 1.00 0.00 C ATOM 0 H LEU A 72 13.893 18.878 1.224 1.00 0.00 H new ATOM 0 HA LEU A 72 12.123 16.838 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.814 17.161 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.768 15.784 0.011 1.00 0.00 H new ATOM 0 HG LEU A 72 11.817 18.673 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.849 18.081 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.622 17.926 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.602 16.472 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.564 17.671 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.280 16.045 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.390 17.162 1.322 1.00 0.00 H new ATOM 1065 N ALA A 73 15.373 16.438 2.413 1.00 0.00 N ATOM 1066 CA ALA A 73 16.394 15.585 2.996 1.00 0.00 C ATOM 1067 C ALA A 73 16.185 15.472 4.508 1.00 0.00 C ATOM 1068 O ALA A 73 16.619 14.498 5.118 1.00 0.00 O ATOM 1069 CB ALA A 73 17.775 16.156 2.682 1.00 0.00 C ATOM 0 H ALA A 73 15.708 17.354 2.115 1.00 0.00 H new ATOM 0 HA ALA A 73 16.321 14.586 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.541 15.516 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.913 16.201 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.858 17.159 3.100 1.00 0.00 H new ATOM 1075 N ALA A 74 15.522 16.468 5.107 1.00 0.00 N ATOM 1076 CA ALA A 74 15.176 16.433 6.520 1.00 0.00 C ATOM 1077 C ALA A 74 13.886 15.642 6.735 1.00 0.00 C ATOM 1078 O ALA A 74 13.590 15.235 7.857 1.00 0.00 O ATOM 1079 CB ALA A 74 15.045 17.864 7.035 1.00 0.00 C ATOM 0 H ALA A 74 15.215 17.312 4.624 1.00 0.00 H new ATOM 0 HA ALA A 74 15.963 15.928 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.786 17.847 8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.992 18.387 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.264 18.381 6.478 1.00 0.00 H new ATOM 1085 N ARG A 75 13.117 15.422 5.659 1.00 0.00 N ATOM 1086 CA ARG A 75 11.912 14.601 5.688 1.00 0.00 C ATOM 1087 C ARG A 75 12.182 13.211 5.105 1.00 0.00 C ATOM 1088 O ARG A 75 11.257 12.429 4.900 1.00 0.00 O ATOM 1089 CB ARG A 75 10.776 15.350 4.986 1.00 0.00 C ATOM 1090 CG ARG A 75 9.411 14.841 5.453 1.00 0.00 C ATOM 1091 CD ARG A 75 8.300 15.692 4.842 1.00 0.00 C ATOM 1092 NE ARG A 75 6.980 15.299 5.358 1.00 0.00 N ATOM 1093 CZ ARG A 75 6.153 16.102 6.033 1.00 0.00 C ATOM 1094 NH1 ARG A 75 6.470 17.368 6.285 1.00 0.00 N ATOM 1095 NH2 ARG A 75 4.989 15.632 6.467 1.00 0.00 N ATOM 0 H ARG A 75 13.321 15.815 4.740 1.00 0.00 H new ATOM 0 HA ARG A 75 11.600 14.428 6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.859 16.417 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.865 15.224 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.283 13.798 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.352 14.878 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.481 16.744 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.314 15.588 3.757 1.00 0.00 H new ATOM 0 HE ARG A 75 6.673 14.341 5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.361 17.745 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.823 17.963 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.730 14.662 6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.354 16.241 6.983 1.00 0.00 H new ATOM 1109 N ASP A 76 13.457 12.903 4.841 1.00 0.00 N ATOM 1110 CA ASP A 76 13.906 11.627 4.301 1.00 0.00 C ATOM 1111 C ASP A 76 13.243 11.264 2.968 1.00 0.00 C ATOM 1112 O ASP A 76 12.946 10.097 2.715 1.00 0.00 O ATOM 1113 CB ASP A 76 13.774 10.534 5.366 1.00 0.00 C ATOM 1114 CG ASP A 76 14.488 9.246 4.954 1.00 0.00 C ATOM 1115 OD1 ASP A 76 15.624 9.352 4.441 1.00 0.00 O ATOM 1116 OD2 ASP A 76 13.895 8.162 5.160 1.00 0.00 O ATOM 0 H ASP A 76 14.222 13.558 5.004 1.00 0.00 H new ATOM 0 HA ASP A 76 14.963 11.722 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.188 10.893 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.719 10.324 5.541 1.00 0.00 H new ATOM 1121 N ILE A 77 13.009 12.263 2.107 1.00 0.00 N ATOM 1122 CA ILE A 77 12.444 12.052 0.780 1.00 0.00 C ATOM 1123 C ILE A 77 13.510 12.333 -0.289 1.00 0.00 C ATOM 1124 O ILE A 77 14.038 13.444 -0.350 1.00 0.00 O ATOM 1125 CB ILE A 77 11.226 12.958 0.573 1.00 0.00 C ATOM 1126 CG1 ILE A 77 10.126 12.713 1.617 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.662 12.748 -0.833 1.00 0.00 C ATOM 1128 CD1 ILE A 77 9.594 11.277 1.618 1.00 0.00 C ATOM 0 H ILE A 77 13.209 13.241 2.318 1.00 0.00 H new ATOM 0 HA ILE A 77 12.120 11.015 0.691 1.00 0.00 H new ATOM 0 HB ILE A 77 11.562 13.988 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.517 12.948 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.299 13.398 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.796 13.394 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.425 12.994 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.363 11.707 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.821 11.176 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.173 11.044 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.409 10.587 1.835 1.00 0.00 H new ATOM 1140 N PRO A 78 13.836 11.345 -1.135 1.00 0.00 N ATOM 1141 CA PRO A 78 14.759 11.494 -2.252 1.00 0.00 C ATOM 1142 C PRO A 78 14.346 12.577 -3.249 1.00 0.00 C ATOM 1143 O PRO A 78 13.167 12.905 -3.386 1.00 0.00 O ATOM 1144 CB PRO A 78 14.793 10.127 -2.940 1.00 0.00 C ATOM 1145 CG PRO A 78 14.375 9.157 -1.838 1.00 0.00 C ATOM 1146 CD PRO A 78 13.363 9.977 -1.046 1.00 0.00 C ATOM 0 HA PRO A 78 15.734 11.811 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.109 10.088 -3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.787 9.895 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.932 8.248 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.221 8.852 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.361 9.878 -1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.310 9.644 -0.009 1.00 0.00 H new ATOM 1154 N PHE A 79 15.333 13.132 -3.957 1.00 0.00 N ATOM 1155 CA PHE A 79 15.103 14.161 -4.957 1.00 0.00 C ATOM 1156 C PHE A 79 16.147 14.084 -6.070 1.00 0.00 C ATOM 1157 O PHE A 79 17.150 13.381 -5.943 1.00 0.00 O ATOM 1158 CB PHE A 79 15.136 15.542 -4.292 1.00 0.00 C ATOM 1159 CG PHE A 79 16.448 15.899 -3.624 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.539 15.924 -2.225 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.576 16.214 -4.400 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.749 16.275 -1.605 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.786 16.547 -3.780 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.869 16.589 -2.381 1.00 0.00 C ATOM 0 H PHE A 79 16.314 12.875 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 79 14.122 13.999 -5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.912 16.297 -5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.342 15.589 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.678 15.673 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.509 16.199 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.815 16.302 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.656 16.772 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.798 16.864 -1.903 1.00 0.00 H new ATOM 1174 N VAL A 80 15.901 14.816 -7.159 1.00 0.00 N ATOM 1175 CA VAL A 80 16.843 14.958 -8.262 1.00 0.00 C ATOM 1176 C VAL A 80 16.913 16.424 -8.671 1.00 0.00 C ATOM 1177 O VAL A 80 15.959 17.169 -8.457 1.00 0.00 O ATOM 1178 CB VAL A 80 16.445 14.078 -9.452 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.314 12.617 -9.024 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.122 14.524 -10.067 1.00 0.00 C ATOM 0 H VAL A 80 15.031 15.331 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 80 17.827 14.625 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 80 17.235 14.180 -10.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.031 12.010 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.268 12.266 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.550 12.531 -8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.874 13.876 -10.907 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.333 14.463 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.212 15.553 -10.417 1.00 0.00 H new ATOM 1190 N PHE A 81 18.034 16.841 -9.258 1.00 0.00 N ATOM 1191 CA PHE A 81 18.236 18.230 -9.638 1.00 0.00 C ATOM 1192 C PHE A 81 17.908 18.472 -11.109 1.00 0.00 C ATOM 1193 O PHE A 81 18.014 17.569 -11.938 1.00 0.00 O ATOM 1194 CB PHE A 81 19.680 18.644 -9.349 1.00 0.00 C ATOM 1195 CG PHE A 81 20.079 18.721 -7.889 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.421 18.501 -7.535 1.00 0.00 C ATOM 1197 CD2 PHE A 81 19.138 19.024 -6.889 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.821 18.587 -6.195 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.545 19.124 -5.553 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.884 18.905 -5.205 1.00 0.00 C ATOM 0 H PHE A 81 18.819 16.228 -9.480 1.00 0.00 H new ATOM 0 HA PHE A 81 17.554 18.838 -9.044 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.344 17.938 -9.848 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.853 19.620 -9.803 1.00 0.00 H new ATOM 0 HD1 PHE A 81 22.147 18.265 -8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 81 18.102 19.179 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.852 18.408 -5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.824 19.371 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.193 18.981 -4.173 1.00 0.00 H new ATOM 1210 N ALA A 82 17.511 19.705 -11.424 1.00 0.00 N ATOM 1211 CA ALA A 82 17.298 20.131 -12.795 1.00 0.00 C ATOM 1212 C ALA A 82 17.725 21.589 -12.944 1.00 0.00 C ATOM 1213 O ALA A 82 17.176 22.468 -12.279 1.00 0.00 O ATOM 1214 CB ALA A 82 15.826 19.945 -13.165 1.00 0.00 C ATOM 0 H ALA A 82 17.330 20.432 -10.732 1.00 0.00 H new ATOM 0 HA ALA A 82 17.899 19.526 -13.473 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.666 20.265 -14.195 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.556 18.894 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.205 20.544 -12.499 1.00 0.00 H new ATOM 1220 N THR A 83 18.704 21.837 -13.818 1.00 0.00 N ATOM 1221 CA THR A 83 19.219 23.170 -14.110 1.00 0.00 C ATOM 1222 C THR A 83 20.188 23.094 -15.289 1.00 0.00 C ATOM 1223 O THR A 83 20.646 22.009 -15.645 1.00 0.00 O ATOM 1224 CB THR A 83 19.940 23.738 -12.883 1.00 0.00 C ATOM 1225 OG1 THR A 83 20.300 25.080 -13.112 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.200 22.943 -12.545 1.00 0.00 C ATOM 0 H THR A 83 19.167 21.101 -14.351 1.00 0.00 H new ATOM 0 HA THR A 83 18.387 23.827 -14.364 1.00 0.00 H new ATOM 0 HB THR A 83 19.249 23.668 -12.043 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.651 25.672 -12.676 1.00 0.00 H new ATOM 0 HG21 THR A 83 21.681 23.379 -11.669 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.931 21.908 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.888 22.975 -13.390 1.00 0.00 H new ATOM 1234 N GLY A 84 20.509 24.239 -15.895 1.00 0.00 N ATOM 1235 CA GLY A 84 21.531 24.302 -16.930 1.00 0.00 C ATOM 1236 C GLY A 84 22.912 24.407 -16.284 1.00 0.00 C ATOM 1237 O GLY A 84 23.067 25.074 -15.261 1.00 0.00 O ATOM 0 H GLY A 84 20.072 25.136 -15.683 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.480 23.414 -17.560 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.355 25.162 -17.577 1.00 0.00 H new ATOM 1241 N GLY A 85 23.916 23.752 -16.870 1.00 0.00 N ATOM 1242 CA GLY A 85 25.262 23.762 -16.319 1.00 0.00 C ATOM 1243 C GLY A 85 26.121 22.634 -16.884 1.00 0.00 C ATOM 1244 O GLY A 85 25.811 22.073 -17.936 1.00 0.00 O ATOM 0 H GLY A 85 23.817 23.209 -17.727 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.735 24.720 -16.535 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.210 23.669 -15.234 1.00 0.00 H new ATOM 1248 N SER A 86 27.202 22.306 -16.173 1.00 0.00 N ATOM 1249 CA SER A 86 28.132 21.256 -16.569 1.00 0.00 C ATOM 1250 C SER A 86 28.652 20.507 -15.338 1.00 0.00 C ATOM 1251 O SER A 86 28.464 20.950 -14.205 1.00 0.00 O ATOM 1252 CB SER A 86 29.289 21.880 -17.352 1.00 0.00 C ATOM 1253 OG SER A 86 30.113 20.863 -17.884 1.00 0.00 O ATOM 0 H SER A 86 27.455 22.768 -15.300 1.00 0.00 H new ATOM 0 HA SER A 86 27.616 20.536 -17.204 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.900 22.504 -18.157 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.873 22.529 -16.700 1.00 0.00 H new ATOM 0 HG SER A 86 31.032 20.987 -17.566 1.00 0.00 H new ATOM 1259 N ASP A 87 29.308 19.367 -15.561 1.00 0.00 N ATOM 1260 CA ASP A 87 29.788 18.489 -14.500 1.00 0.00 C ATOM 1261 C ASP A 87 30.954 19.098 -13.714 1.00 0.00 C ATOM 1262 O ASP A 87 31.419 18.506 -12.745 1.00 0.00 O ATOM 1263 CB ASP A 87 30.182 17.154 -15.135 1.00 0.00 C ATOM 1264 CG ASP A 87 30.549 16.099 -14.091 1.00 0.00 C ATOM 1265 OD1 ASP A 87 31.652 15.521 -14.215 1.00 0.00 O ATOM 1266 OD2 ASP A 87 29.728 15.874 -13.177 1.00 0.00 O ATOM 0 H ASP A 87 29.522 19.026 -16.498 1.00 0.00 H new ATOM 0 HA ASP A 87 28.991 18.342 -13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 87 29.356 16.787 -15.744 1.00 0.00 H new ATOM 0 HB3 ASP A 87 31.028 17.309 -15.805 1.00 0.00 H new ATOM 1271 N ASP A 88 31.434 20.279 -14.120 1.00 0.00 N ATOM 1272 CA ASP A 88 32.535 20.966 -13.456 1.00 0.00 C ATOM 1273 C ASP A 88 32.083 22.280 -12.814 1.00 0.00 C ATOM 1274 O ASP A 88 32.916 23.079 -12.386 1.00 0.00 O ATOM 1275 CB ASP A 88 33.693 21.168 -14.438 1.00 0.00 C ATOM 1276 CG ASP A 88 33.297 22.051 -15.623 1.00 0.00 C ATOM 1277 OD1 ASP A 88 33.040 21.478 -16.704 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.255 23.289 -15.438 1.00 0.00 O ATOM 0 H ASP A 88 31.063 20.784 -14.925 1.00 0.00 H new ATOM 0 HA ASP A 88 32.891 20.339 -12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.536 21.620 -13.915 1.00 0.00 H new ATOM 0 HB3 ASP A 88 34.029 20.198 -14.806 1.00 0.00 H new ATOM 1283 N SER A 89 30.767 22.509 -12.748 1.00 0.00 N ATOM 1284 CA SER A 89 30.200 23.751 -12.230 1.00 0.00 C ATOM 1285 C SER A 89 29.323 23.512 -11.004 1.00 0.00 C ATOM 1286 O SER A 89 28.635 24.426 -10.553 1.00 0.00 O ATOM 1287 CB SER A 89 29.423 24.465 -13.336 1.00 0.00 C ATOM 1288 OG SER A 89 28.286 23.709 -13.698 1.00 0.00 O ATOM 0 H SER A 89 30.066 21.834 -13.054 1.00 0.00 H new ATOM 0 HA SER A 89 31.021 24.390 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A 89 29.118 25.455 -12.996 1.00 0.00 H new ATOM 0 HB3 SER A 89 30.064 24.611 -14.205 1.00 0.00 H new ATOM 0 HG SER A 89 28.528 22.761 -13.756 1.00 0.00 H new ATOM 1294 N VAL A 90 29.340 22.289 -10.465 1.00 0.00 N ATOM 1295 CA VAL A 90 28.521 21.898 -9.324 1.00 0.00 C ATOM 1296 C VAL A 90 29.301 21.022 -8.345 1.00 0.00 C ATOM 1297 O VAL A 90 30.261 20.349 -8.721 1.00 0.00 O ATOM 1298 CB VAL A 90 27.255 21.164 -9.774 1.00 0.00 C ATOM 1299 CG1 VAL A 90 26.276 22.105 -10.476 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.578 19.998 -10.708 1.00 0.00 C ATOM 0 H VAL A 90 29.932 21.537 -10.817 1.00 0.00 H new ATOM 0 HA VAL A 90 28.234 22.817 -8.814 1.00 0.00 H new ATOM 0 HB VAL A 90 26.791 20.776 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 90 25.390 21.547 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 90 25.985 22.903 -9.793 1.00 0.00 H new ATOM 0 HG13 VAL A 90 26.753 22.536 -11.356 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.653 19.503 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 90 28.090 20.373 -11.594 1.00 0.00 H new ATOM 0 HG23 VAL A 90 28.221 19.286 -10.192 1.00 0.00 H new ATOM 1310 N ASP A 91 28.878 21.039 -7.080 1.00 0.00 N ATOM 1311 CA ASP A 91 29.496 20.253 -6.019 1.00 0.00 C ATOM 1312 C ASP A 91 29.211 18.759 -6.195 1.00 0.00 C ATOM 1313 O ASP A 91 28.313 18.373 -6.942 1.00 0.00 O ATOM 1314 CB ASP A 91 28.975 20.760 -4.673 1.00 0.00 C ATOM 1315 CG ASP A 91 29.576 19.983 -3.504 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.837 19.147 -2.937 1.00 0.00 O ATOM 1317 OD2 ASP A 91 30.762 20.230 -3.187 1.00 0.00 O ATOM 0 H ASP A 91 28.090 21.604 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 91 30.579 20.373 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.213 21.818 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.889 20.673 -4.647 1.00 0.00 H new ATOM 1322 N SER A 92 29.976 17.910 -5.504 1.00 0.00 N ATOM 1323 CA SER A 92 29.857 16.464 -5.628 1.00 0.00 C ATOM 1324 C SER A 92 28.465 15.951 -5.250 1.00 0.00 C ATOM 1325 O SER A 92 28.117 14.827 -5.602 1.00 0.00 O ATOM 1326 CB SER A 92 30.914 15.799 -4.748 1.00 0.00 C ATOM 1327 OG SER A 92 32.201 16.237 -5.139 1.00 0.00 O ATOM 0 H SER A 92 30.694 18.210 -4.844 1.00 0.00 H new ATOM 0 HA SER A 92 30.013 16.207 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.737 16.045 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 30.845 14.715 -4.836 1.00 0.00 H new ATOM 0 HG SER A 92 32.878 15.811 -4.572 1.00 0.00 H new ATOM 1333 N ARG A 93 27.654 16.746 -4.539 1.00 0.00 N ATOM 1334 CA ARG A 93 26.295 16.346 -4.202 1.00 0.00 C ATOM 1335 C ARG A 93 25.406 16.374 -5.445 1.00 0.00 C ATOM 1336 O ARG A 93 24.421 15.644 -5.517 1.00 0.00 O ATOM 1337 CB ARG A 93 25.760 17.261 -3.095 1.00 0.00 C ATOM 1338 CG ARG A 93 24.419 16.740 -2.572 1.00 0.00 C ATOM 1339 CD ARG A 93 23.980 17.514 -1.330 1.00 0.00 C ATOM 1340 NE ARG A 93 23.646 18.908 -1.644 1.00 0.00 N ATOM 1341 CZ ARG A 93 23.221 19.790 -0.734 1.00 0.00 C ATOM 1342 NH1 ARG A 93 23.110 19.440 0.544 1.00 0.00 N ATOM 1343 NH2 ARG A 93 22.900 21.027 -1.101 1.00 0.00 N ATOM 0 H ARG A 93 27.921 17.666 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 93 26.292 15.321 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 93 26.480 17.314 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.639 18.274 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 93 23.661 16.832 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 93 24.504 15.680 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.114 17.025 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 93 24.777 17.490 -0.587 1.00 0.00 H new ATOM 0 HE ARG A 93 23.744 19.221 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.350 18.493 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 93 22.785 20.119 1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.978 21.305 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.576 21.698 -0.404 1.00 0.00 H new ATOM 1357 N PHE A 94 25.754 17.212 -6.423 1.00 0.00 N ATOM 1358 CA PHE A 94 25.037 17.288 -7.685 1.00 0.00 C ATOM 1359 C PHE A 94 25.545 16.202 -8.624 1.00 0.00 C ATOM 1360 O PHE A 94 24.839 15.799 -9.547 1.00 0.00 O ATOM 1361 CB PHE A 94 25.284 18.645 -8.338 1.00 0.00 C ATOM 1362 CG PHE A 94 24.852 19.866 -7.550 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.832 20.689 -8.048 1.00 0.00 C ATOM 1364 CD2 PHE A 94 25.485 20.191 -6.339 1.00 0.00 C ATOM 1365 CE1 PHE A 94 23.448 21.835 -7.338 1.00 0.00 C ATOM 1366 CE2 PHE A 94 25.095 21.335 -5.627 1.00 0.00 C ATOM 1367 CZ PHE A 94 24.077 22.158 -6.127 1.00 0.00 C ATOM 0 H PHE A 94 26.543 17.855 -6.357 1.00 0.00 H new ATOM 0 HA PHE A 94 23.972 17.155 -7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 94 26.350 18.734 -8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.769 18.660 -9.299 1.00 0.00 H new ATOM 0 HD1 PHE A 94 23.342 20.440 -8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 94 26.273 19.559 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 94 22.665 22.471 -7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 94 25.579 21.581 -4.694 1.00 0.00 H new ATOM 0 HZ PHE A 94 23.777 23.040 -5.580 1.00 0.00 H new ATOM 1377 N ARG A 95 26.771 15.728 -8.385 1.00 0.00 N ATOM 1378 CA ARG A 95 27.393 14.701 -9.206 1.00 0.00 C ATOM 1379 C ARG A 95 27.039 13.301 -8.707 1.00 0.00 C ATOM 1380 O ARG A 95 27.311 12.319 -9.394 1.00 0.00 O ATOM 1381 CB ARG A 95 28.908 14.926 -9.236 1.00 0.00 C ATOM 1382 CG ARG A 95 29.229 16.367 -9.650 1.00 0.00 C ATOM 1383 CD ARG A 95 30.736 16.604 -9.702 1.00 0.00 C ATOM 1384 NE ARG A 95 31.346 15.899 -10.835 1.00 0.00 N ATOM 1385 CZ ARG A 95 32.511 15.253 -10.801 1.00 0.00 C ATOM 1386 NH1 ARG A 95 33.215 15.165 -9.675 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.983 14.686 -11.907 1.00 0.00 N ATOM 0 H ARG A 95 27.356 16.050 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 95 27.008 14.775 -10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.332 14.721 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.371 14.229 -9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.792 16.573 -10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.773 17.061 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.936 17.672 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.192 16.266 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 95 30.838 15.904 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.865 15.596 -8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.105 14.666 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 95 32.454 14.747 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 95 33.874 14.191 -11.886 1.00 0.00 H new ATOM 1401 N ASP A 96 26.433 13.206 -7.518 1.00 0.00 N ATOM 1402 CA ASP A 96 25.979 11.941 -6.963 1.00 0.00 C ATOM 1403 C ASP A 96 24.488 11.735 -7.219 1.00 0.00 C ATOM 1404 O ASP A 96 24.040 10.600 -7.393 1.00 0.00 O ATOM 1405 CB ASP A 96 26.284 11.924 -5.466 1.00 0.00 C ATOM 1406 CG ASP A 96 25.831 10.614 -4.827 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.654 9.671 -4.785 1.00 0.00 O ATOM 1408 OD2 ASP A 96 24.662 10.563 -4.384 1.00 0.00 O ATOM 0 H ASP A 96 26.247 14.010 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 96 26.506 11.121 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.354 12.058 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 96 25.783 12.761 -4.980 1.00 0.00 H new ATOM 1413 N ARG A 97 23.716 12.828 -7.249 1.00 0.00 N ATOM 1414 CA ARG A 97 22.293 12.774 -7.558 1.00 0.00 C ATOM 1415 C ARG A 97 22.091 12.884 -9.068 1.00 0.00 C ATOM 1416 O ARG A 97 22.920 13.479 -9.753 1.00 0.00 O ATOM 1417 CB ARG A 97 21.549 13.903 -6.839 1.00 0.00 C ATOM 1418 CG ARG A 97 21.636 13.835 -5.309 1.00 0.00 C ATOM 1419 CD ARG A 97 20.956 12.589 -4.735 1.00 0.00 C ATOM 1420 NE ARG A 97 21.830 11.411 -4.803 1.00 0.00 N ATOM 1421 CZ ARG A 97 21.403 10.154 -4.947 1.00 0.00 C ATOM 1422 NH1 ARG A 97 20.105 9.877 -5.058 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.290 9.165 -4.979 1.00 0.00 N ATOM 0 H ARG A 97 24.064 13.768 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 97 21.890 11.822 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 97 21.951 14.859 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.500 13.878 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.683 13.844 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.174 14.725 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.675 12.773 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.036 12.391 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 97 22.836 11.564 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.419 10.631 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.797 8.911 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.286 9.370 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.975 8.201 -5.089 1.00 0.00 H new ATOM 1437 N PRO A 98 21.000 12.322 -9.605 1.00 0.00 N ATOM 1438 CA PRO A 98 20.632 12.474 -11.002 1.00 0.00 C ATOM 1439 C PRO A 98 20.441 13.945 -11.372 1.00 0.00 C ATOM 1440 O PRO A 98 20.094 14.760 -10.518 1.00 0.00 O ATOM 1441 CB PRO A 98 19.327 11.692 -11.171 1.00 0.00 C ATOM 1442 CG PRO A 98 19.345 10.695 -10.014 1.00 0.00 C ATOM 1443 CD PRO A 98 20.049 11.480 -8.910 1.00 0.00 C ATOM 0 HA PRO A 98 21.415 12.099 -11.661 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.458 12.348 -11.120 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.287 11.185 -12.135 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.339 10.396 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 98 19.886 9.784 -10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.340 12.075 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.550 10.813 -8.208 1.00 0.00 H new ATOM 1451 N VAL A 99 20.664 14.277 -12.647 1.00 0.00 N ATOM 1452 CA VAL A 99 20.544 15.647 -13.142 1.00 0.00 C ATOM 1453 C VAL A 99 19.881 15.673 -14.516 1.00 0.00 C ATOM 1454 O VAL A 99 19.965 14.705 -15.271 1.00 0.00 O ATOM 1455 CB VAL A 99 21.916 16.331 -13.208 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.529 16.467 -11.815 1.00 0.00 C ATOM 1457 CG2 VAL A 99 22.894 15.561 -14.099 1.00 0.00 C ATOM 0 H VAL A 99 20.933 13.602 -13.363 1.00 0.00 H new ATOM 0 HA VAL A 99 19.916 16.197 -12.441 1.00 0.00 H new ATOM 0 HB VAL A 99 21.748 17.319 -13.636 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.501 16.955 -11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.871 17.065 -11.185 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.653 15.478 -11.374 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.853 16.079 -14.119 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.033 14.555 -13.703 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.494 15.500 -15.111 1.00 0.00 H new ATOM 1467 N LEU A 100 19.222 16.790 -14.836 1.00 0.00 N ATOM 1468 CA LEU A 100 18.603 17.000 -16.137 1.00 0.00 C ATOM 1469 C LEU A 100 18.629 18.491 -16.482 1.00 0.00 C ATOM 1470 O LEU A 100 18.657 19.336 -15.590 1.00 0.00 O ATOM 1471 CB LEU A 100 17.173 16.444 -16.092 1.00 0.00 C ATOM 1472 CG LEU A 100 16.455 16.479 -17.447 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.212 15.684 -18.506 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.065 15.868 -17.283 1.00 0.00 C ATOM 0 H LEU A 100 19.105 17.574 -14.194 1.00 0.00 H new ATOM 0 HA LEU A 100 19.152 16.476 -16.919 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.204 15.415 -15.734 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.593 17.016 -15.368 1.00 0.00 H new ATOM 0 HG LEU A 100 16.395 17.517 -17.773 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.673 15.732 -19.452 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.209 16.106 -18.635 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.297 14.644 -18.189 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.544 15.887 -18.240 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.159 14.837 -16.941 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.499 16.443 -16.550 1.00 0.00 H new ATOM 1486 N GLN A 101 18.620 18.821 -17.774 1.00 0.00 N ATOM 1487 CA GLN A 101 18.634 20.203 -18.232 1.00 0.00 C ATOM 1488 C GLN A 101 17.217 20.775 -18.265 1.00 0.00 C ATOM 1489 O GLN A 101 16.241 20.033 -18.162 1.00 0.00 O ATOM 1490 CB GLN A 101 19.305 20.295 -19.608 1.00 0.00 C ATOM 1491 CG GLN A 101 20.779 19.871 -19.564 1.00 0.00 C ATOM 1492 CD GLN A 101 20.987 18.358 -19.504 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.082 17.574 -19.773 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.196 17.938 -19.146 1.00 0.00 N ATOM 0 H GLN A 101 18.603 18.135 -18.529 1.00 0.00 H new ATOM 0 HA GLN A 101 19.214 20.802 -17.530 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.768 19.663 -20.315 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.234 21.318 -19.977 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.286 20.263 -20.446 1.00 0.00 H new ATOM 0 HG3 GLN A 101 21.252 20.328 -18.695 1.00 0.00 H new ATOM 0 HE21 GLN A 101 22.927 18.615 -18.929 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.393 16.939 -19.089 1.00 0.00 H new ATOM 1503 N LYS A 102 17.095 22.098 -18.407 1.00 0.00 N ATOM 1504 CA LYS A 102 15.800 22.774 -18.423 1.00 0.00 C ATOM 1505 C LYS A 102 14.916 22.367 -19.604 1.00 0.00 C ATOM 1506 O LYS A 102 13.738 22.092 -19.383 1.00 0.00 O ATOM 1507 CB LYS A 102 16.014 24.289 -18.392 1.00 0.00 C ATOM 1508 CG LYS A 102 16.448 24.754 -16.997 1.00 0.00 C ATOM 1509 CD LYS A 102 15.260 24.730 -16.033 1.00 0.00 C ATOM 1510 CE LYS A 102 15.724 25.130 -14.633 1.00 0.00 C ATOM 1511 NZ LYS A 102 14.585 25.240 -13.708 1.00 0.00 N ATOM 0 H LYS A 102 17.891 22.727 -18.514 1.00 0.00 H new ATOM 0 HA LYS A 102 15.259 22.459 -17.530 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.772 24.568 -19.124 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.092 24.796 -18.678 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.242 24.108 -16.622 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.858 25.762 -17.054 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.485 25.414 -16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.819 23.734 -16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.432 24.392 -14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.252 26.083 -14.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.924 25.157 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.121 26.162 -13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.904 24.479 -13.904 1.00 0.00 H new ATOM 1525 N PRO A 103 15.417 22.311 -20.849 1.00 0.00 N ATOM 1526 CA PRO A 103 14.631 21.816 -21.966 1.00 0.00 C ATOM 1527 C PRO A 103 14.458 20.302 -21.846 1.00 0.00 C ATOM 1528 O PRO A 103 15.408 19.588 -21.524 1.00 0.00 O ATOM 1529 CB PRO A 103 15.415 22.201 -23.218 1.00 0.00 C ATOM 1530 CG PRO A 103 16.860 22.205 -22.730 1.00 0.00 C ATOM 1531 CD PRO A 103 16.739 22.716 -21.296 1.00 0.00 C ATOM 0 HA PRO A 103 13.627 22.240 -21.995 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.264 21.484 -24.025 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.115 23.177 -23.598 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.301 21.209 -22.767 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.489 22.855 -23.338 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.516 22.290 -20.661 1.00 0.00 H new ATOM 0 HD3 PRO A 103 16.852 23.799 -21.255 1.00 0.00 H new ATOM 1539 N PHE A 104 13.244 19.814 -22.107 1.00 0.00 N ATOM 1540 CA PHE A 104 12.916 18.400 -21.987 1.00 0.00 C ATOM 1541 C PHE A 104 12.679 17.791 -23.368 1.00 0.00 C ATOM 1542 O PHE A 104 12.207 18.468 -24.282 1.00 0.00 O ATOM 1543 CB PHE A 104 11.681 18.221 -21.096 1.00 0.00 C ATOM 1544 CG PHE A 104 11.930 18.174 -19.601 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.058 17.438 -18.784 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.017 18.844 -19.020 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.288 17.352 -17.405 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.237 18.771 -17.640 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.377 18.019 -16.833 1.00 0.00 C ATOM 0 H PHE A 104 12.461 20.394 -22.408 1.00 0.00 H new ATOM 0 HA PHE A 104 13.755 17.880 -21.525 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.990 19.038 -21.302 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.180 17.298 -21.388 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.207 16.936 -19.220 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.688 19.419 -19.641 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.624 16.770 -16.783 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.071 19.296 -17.198 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.553 17.953 -15.770 1.00 0.00 H new ATOM 1559 N THR A 105 13.007 16.503 -23.504 1.00 0.00 N ATOM 1560 CA THR A 105 12.818 15.736 -24.729 1.00 0.00 C ATOM 1561 C THR A 105 12.428 14.308 -24.371 1.00 0.00 C ATOM 1562 O THR A 105 12.645 13.865 -23.244 1.00 0.00 O ATOM 1563 CB THR A 105 14.102 15.724 -25.570 1.00 0.00 C ATOM 1564 OG1 THR A 105 15.144 15.113 -24.842 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.536 17.138 -25.961 1.00 0.00 C ATOM 0 H THR A 105 13.420 15.957 -22.747 1.00 0.00 H new ATOM 0 HA THR A 105 12.027 16.203 -25.316 1.00 0.00 H new ATOM 0 HB THR A 105 13.893 15.162 -26.480 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.961 15.106 -25.383 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.448 17.087 -26.555 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.748 17.612 -26.546 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.722 17.724 -25.061 1.00 0.00 H new ATOM 1573 N MET A 106 11.852 13.572 -25.323 1.00 0.00 N ATOM 1574 CA MET A 106 11.400 12.211 -25.071 1.00 0.00 C ATOM 1575 C MET A 106 12.579 11.290 -24.750 1.00 0.00 C ATOM 1576 O MET A 106 12.403 10.294 -24.050 1.00 0.00 O ATOM 1577 CB MET A 106 10.633 11.684 -26.287 1.00 0.00 C ATOM 1578 CG MET A 106 9.305 12.416 -26.499 1.00 0.00 C ATOM 1579 SD MET A 106 9.434 14.150 -27.017 1.00 0.00 S ATOM 1580 CE MET A 106 7.674 14.565 -27.064 1.00 0.00 C ATOM 0 H MET A 106 11.689 13.900 -26.275 1.00 0.00 H new ATOM 0 HA MET A 106 10.737 12.224 -24.206 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.251 11.792 -27.178 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.442 10.619 -26.159 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.729 11.874 -27.249 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.737 12.375 -25.570 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.553 15.605 -27.366 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.167 13.918 -27.780 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.240 14.422 -26.074 1.00 0.00 H new ATOM 1590 N ASP A 107 13.775 11.609 -25.253 1.00 0.00 N ATOM 1591 CA ASP A 107 14.965 10.812 -24.993 1.00 0.00 C ATOM 1592 C ASP A 107 15.634 11.202 -23.672 1.00 0.00 C ATOM 1593 O ASP A 107 16.154 10.345 -22.960 1.00 0.00 O ATOM 1594 CB ASP A 107 15.931 10.977 -26.167 1.00 0.00 C ATOM 1595 CG ASP A 107 17.176 10.113 -25.984 1.00 0.00 C ATOM 1596 OD1 ASP A 107 17.053 8.880 -26.154 1.00 0.00 O ATOM 1597 OD2 ASP A 107 18.242 10.691 -25.675 1.00 0.00 O ATOM 0 H ASP A 107 13.939 12.422 -25.847 1.00 0.00 H new ATOM 0 HA ASP A 107 14.676 9.765 -24.897 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.429 10.704 -27.095 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.222 12.024 -26.258 1.00 0.00 H new ATOM 1602 N GLY A 108 15.623 12.498 -23.336 1.00 0.00 N ATOM 1603 CA GLY A 108 16.306 12.993 -22.149 1.00 0.00 C ATOM 1604 C GLY A 108 15.497 12.747 -20.881 1.00 0.00 C ATOM 1605 O GLY A 108 16.074 12.565 -19.810 1.00 0.00 O ATOM 0 H GLY A 108 15.145 13.220 -23.876 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.277 12.506 -22.060 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.494 14.061 -22.258 1.00 0.00 H new ATOM 1609 N VAL A 109 14.164 12.738 -20.987 1.00 0.00 N ATOM 1610 CA VAL A 109 13.306 12.513 -19.833 1.00 0.00 C ATOM 1611 C VAL A 109 13.175 11.019 -19.553 1.00 0.00 C ATOM 1612 O VAL A 109 13.011 10.622 -18.402 1.00 0.00 O ATOM 1613 CB VAL A 109 11.943 13.168 -20.074 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.983 12.884 -18.920 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.105 14.684 -20.180 1.00 0.00 C ATOM 0 H VAL A 109 13.662 12.884 -21.863 1.00 0.00 H new ATOM 0 HA VAL A 109 13.751 12.970 -18.950 1.00 0.00 H new ATOM 0 HB VAL A 109 11.540 12.753 -20.998 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.024 13.362 -19.119 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.839 11.808 -18.823 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.400 13.280 -17.994 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.131 15.143 -20.351 1.00 0.00 H new ATOM 0 HG22 VAL A 109 12.530 15.070 -19.254 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.769 14.922 -21.011 1.00 0.00 H new ATOM 1625 N ALA A 110 13.249 10.179 -20.588 1.00 0.00 N ATOM 1626 CA ALA A 110 13.154 8.740 -20.398 1.00 0.00 C ATOM 1627 C ALA A 110 14.416 8.205 -19.728 1.00 0.00 C ATOM 1628 O ALA A 110 14.363 7.176 -19.054 1.00 0.00 O ATOM 1629 CB ALA A 110 12.928 8.073 -21.754 1.00 0.00 C ATOM 0 H ALA A 110 13.373 10.473 -21.557 1.00 0.00 H new ATOM 0 HA ALA A 110 12.313 8.512 -19.744 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.856 6.994 -21.621 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.004 8.447 -22.194 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.763 8.302 -22.416 1.00 0.00 H new ATOM 1635 N LYS A 111 15.548 8.893 -19.904 1.00 0.00 N ATOM 1636 CA LYS A 111 16.806 8.496 -19.288 1.00 0.00 C ATOM 1637 C LYS A 111 16.897 9.011 -17.854 1.00 0.00 C ATOM 1638 O LYS A 111 17.480 8.349 -16.997 1.00 0.00 O ATOM 1639 CB LYS A 111 17.955 9.017 -20.151 1.00 0.00 C ATOM 1640 CG LYS A 111 19.309 8.532 -19.627 1.00 0.00 C ATOM 1641 CD LYS A 111 20.442 8.942 -20.569 1.00 0.00 C ATOM 1642 CE LYS A 111 20.543 10.462 -20.719 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.903 11.110 -19.441 1.00 0.00 N ATOM 0 H LYS A 111 15.613 9.736 -20.475 1.00 0.00 H new ATOM 0 HA LYS A 111 16.866 7.409 -19.233 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.820 8.683 -21.180 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.937 10.107 -20.165 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.488 8.947 -18.635 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.294 7.447 -19.521 1.00 0.00 H new ATOM 0 HD2 LYS A 111 21.387 8.552 -20.191 1.00 0.00 H new ATOM 0 HD3 LYS A 111 20.280 8.491 -21.548 1.00 0.00 H new ATOM 0 HE2 LYS A 111 21.290 10.705 -21.474 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.591 10.858 -21.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 21.079 12.122 -19.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.122 10.998 -18.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.762 10.666 -19.057 1.00 0.00 H new ATOM 1657 N ALA A 112 16.327 10.187 -17.582 1.00 0.00 N ATOM 1658 CA ALA A 112 16.351 10.758 -16.245 1.00 0.00 C ATOM 1659 C ALA A 112 15.365 10.034 -15.331 1.00 0.00 C ATOM 1660 O ALA A 112 15.626 9.886 -14.138 1.00 0.00 O ATOM 1661 CB ALA A 112 16.018 12.244 -16.342 1.00 0.00 C ATOM 0 H ALA A 112 15.844 10.759 -18.275 1.00 0.00 H new ATOM 0 HA ALA A 112 17.344 10.637 -15.811 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.032 12.686 -15.346 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.756 12.742 -16.970 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.027 12.367 -16.779 1.00 0.00 H new ATOM 1667 N LEU A 113 14.236 9.578 -15.880 1.00 0.00 N ATOM 1668 CA LEU A 113 13.259 8.832 -15.100 1.00 0.00 C ATOM 1669 C LEU A 113 13.673 7.369 -14.970 1.00 0.00 C ATOM 1670 O LEU A 113 13.211 6.688 -14.061 1.00 0.00 O ATOM 1671 CB LEU A 113 11.871 8.970 -15.731 1.00 0.00 C ATOM 1672 CG LEU A 113 11.338 10.403 -15.634 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.986 10.473 -16.339 1.00 0.00 C ATOM 1674 CD2 LEU A 113 11.149 10.831 -14.179 1.00 0.00 C ATOM 0 H LEU A 113 13.981 9.714 -16.858 1.00 0.00 H new ATOM 0 HA LEU A 113 13.217 9.248 -14.093 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.917 8.670 -16.778 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.178 8.291 -15.235 1.00 0.00 H new ATOM 0 HG LEU A 113 12.062 11.070 -16.101 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.595 11.489 -16.277 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.107 10.194 -17.386 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.289 9.786 -15.858 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.770 11.852 -14.147 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.437 10.164 -13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.105 10.782 -13.658 1.00 0.00 H new ATOM 1686 N ALA A 114 14.541 6.873 -15.858 1.00 0.00 N ATOM 1687 CA ALA A 114 15.074 5.525 -15.719 1.00 0.00 C ATOM 1688 C ALA A 114 16.138 5.492 -14.621 1.00 0.00 C ATOM 1689 O ALA A 114 16.401 4.437 -14.049 1.00 0.00 O ATOM 1690 CB ALA A 114 15.657 5.064 -17.054 1.00 0.00 C ATOM 0 H ALA A 114 14.883 7.384 -16.672 1.00 0.00 H new ATOM 0 HA ALA A 114 14.271 4.845 -15.435 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.055 4.055 -16.948 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.875 5.067 -17.813 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.457 5.740 -17.355 1.00 0.00 H new ATOM 1696 N ALA A 115 16.753 6.645 -14.323 1.00 0.00 N ATOM 1697 CA ALA A 115 17.717 6.767 -13.241 1.00 0.00 C ATOM 1698 C ALA A 115 17.029 7.076 -11.908 1.00 0.00 C ATOM 1699 O ALA A 115 17.614 6.843 -10.850 1.00 0.00 O ATOM 1700 CB ALA A 115 18.723 7.857 -13.609 1.00 0.00 C ATOM 0 H ALA A 115 16.590 7.515 -14.830 1.00 0.00 H new ATOM 0 HA ALA A 115 18.236 5.817 -13.110 1.00 0.00 H new ATOM 0 HB1 ALA A 115 19.455 7.962 -12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 115 19.233 7.584 -14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 115 18.200 8.803 -13.749 1.00 0.00 H new ATOM 1706 N LEU A 116 15.796 7.598 -11.946 1.00 0.00 N ATOM 1707 CA LEU A 116 15.035 7.925 -10.746 1.00 0.00 C ATOM 1708 C LEU A 116 14.176 6.733 -10.321 1.00 0.00 C ATOM 1709 O LEU A 116 14.228 6.313 -9.168 1.00 0.00 O ATOM 1710 CB LEU A 116 14.213 9.187 -11.035 1.00 0.00 C ATOM 1711 CG LEU A 116 13.555 9.812 -9.800 1.00 0.00 C ATOM 1712 CD1 LEU A 116 13.053 11.208 -10.176 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.346 9.023 -9.306 1.00 0.00 C ATOM 0 H LEU A 116 15.302 7.804 -12.815 1.00 0.00 H new ATOM 0 HA LEU A 116 15.696 8.132 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.861 9.929 -11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.437 8.942 -11.760 1.00 0.00 H new ATOM 0 HG LEU A 116 14.305 9.826 -9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.581 11.670 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.893 11.821 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.327 11.128 -10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.924 9.515 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.594 8.977 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.655 8.012 -9.041 1.00 0.00 H new ATOM 1725 N LEU A 117 13.392 6.195 -11.258 1.00 0.00 N ATOM 1726 CA LEU A 117 12.495 5.070 -11.035 1.00 0.00 C ATOM 1727 C LEU A 117 13.238 3.729 -11.038 1.00 0.00 C ATOM 1728 O LEU A 117 12.611 2.680 -11.182 1.00 0.00 O ATOM 1729 CB LEU A 117 11.375 5.093 -12.082 1.00 0.00 C ATOM 1730 CG LEU A 117 10.632 6.433 -12.113 1.00 0.00 C ATOM 1731 CD1 LEU A 117 9.544 6.403 -13.184 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.964 6.725 -10.771 1.00 0.00 C ATOM 0 H LEU A 117 13.366 6.543 -12.217 1.00 0.00 H new ATOM 0 HA LEU A 117 12.056 5.173 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.797 4.892 -13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.666 4.292 -11.870 1.00 0.00 H new ATOM 0 HG LEU A 117 11.366 7.209 -12.331 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.021 7.359 -13.199 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.998 6.222 -14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.835 5.606 -12.960 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.445 7.682 -10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.248 5.936 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.722 6.766 -9.989 1.00 0.00 H new ATOM 1744 N VAL A 118 14.567 3.756 -10.878 1.00 0.00 N ATOM 1745 CA VAL A 118 15.399 2.558 -10.872 1.00 0.00 C ATOM 1746 C VAL A 118 15.036 1.636 -9.710 1.00 0.00 C ATOM 1747 O VAL A 118 14.753 2.155 -8.606 1.00 0.00 O ATOM 1748 CB VAL A 118 16.878 2.958 -10.849 1.00 0.00 C ATOM 1749 CG1 VAL A 118 17.253 3.698 -9.565 1.00 0.00 C ATOM 1750 CG2 VAL A 118 17.767 1.721 -11.001 1.00 0.00 C ATOM 0 H VAL A 118 15.094 4.620 -10.748 1.00 0.00 H new ATOM 0 HA VAL A 118 15.213 1.992 -11.785 1.00 0.00 H new ATOM 0 HB VAL A 118 17.039 3.635 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.310 3.962 -9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.655 4.605 -9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.062 3.055 -8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 118 18.815 2.021 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 118 17.573 1.031 -10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 118 17.547 1.229 -11.948 1.00 0.00 H new