USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=15 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 86 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0.0846 USER MOD Set 2.2: A 6 GLN : amide:sc= -0.55 K(o=-0.47,f=-2.2!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -168:sc= -0.0164 (180deg=-0.239) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= -0.0509 (180deg=-0.628) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=0.000468 USER MOD Single : A 58 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.2!) USER MOD Single : A 66 THR OG1 : rot -42:sc= 0.124 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0933 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 101 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.6) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 1.32 (180deg=1.19) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 106 MET CE :methyl -161:sc= -0.0529 (180deg=-0.481) USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.858) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.781 4.849 -6.297 1.00 0.00 N ATOM 42 CA LEU A 4 6.768 6.305 -6.374 1.00 0.00 C ATOM 43 C LEU A 4 5.970 6.802 -7.575 1.00 0.00 C ATOM 44 O LEU A 4 6.493 7.510 -8.432 1.00 0.00 O ATOM 45 CB LEU A 4 8.165 6.933 -6.246 1.00 0.00 C ATOM 46 CG LEU A 4 9.179 6.473 -7.297 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.173 7.600 -7.575 1.00 0.00 C ATOM 48 CD2 LEU A 4 9.981 5.278 -6.792 1.00 0.00 C ATOM 0 HA LEU A 4 6.234 6.662 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.067 8.017 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.561 6.704 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 4 8.626 6.199 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.895 7.272 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.638 8.474 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.697 7.859 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.695 4.970 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.518 5.557 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.304 4.452 -6.573 1.00 0.00 H new ATOM 60 N THR A 5 4.694 6.425 -7.642 1.00 0.00 N ATOM 61 CA THR A 5 3.818 6.856 -8.718 1.00 0.00 C ATOM 62 C THR A 5 3.424 8.317 -8.534 1.00 0.00 C ATOM 63 O THR A 5 2.820 8.896 -9.434 1.00 0.00 O ATOM 64 CB THR A 5 2.578 5.963 -8.793 1.00 0.00 C ATOM 65 OG1 THR A 5 2.196 5.519 -7.509 1.00 0.00 O ATOM 66 CG2 THR A 5 2.877 4.753 -9.672 1.00 0.00 C ATOM 0 H THR A 5 4.246 5.817 -6.956 1.00 0.00 H new ATOM 0 HA THR A 5 4.359 6.765 -9.660 1.00 0.00 H new ATOM 0 HB THR A 5 1.761 6.545 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.400 4.951 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.994 4.116 -9.726 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.145 5.088 -10.674 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.706 4.189 -9.245 1.00 0.00 H new ATOM 74 N GLN A 6 3.761 8.911 -7.385 1.00 0.00 N ATOM 75 CA GLN A 6 3.421 10.282 -7.074 1.00 0.00 C ATOM 76 C GLN A 6 4.653 11.173 -7.015 1.00 0.00 C ATOM 77 O GLN A 6 5.460 11.055 -6.094 1.00 0.00 O ATOM 78 CB GLN A 6 2.684 10.317 -5.730 1.00 0.00 C ATOM 79 CG GLN A 6 1.320 9.629 -5.826 1.00 0.00 C ATOM 80 CD GLN A 6 1.381 8.114 -5.687 1.00 0.00 C ATOM 81 OE1 GLN A 6 2.388 7.541 -5.278 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.285 7.446 -6.032 1.00 0.00 N ATOM 0 H GLN A 6 4.282 8.440 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 6 2.781 10.667 -7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.289 9.825 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.551 11.351 -5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.667 10.029 -5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.865 9.878 -6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.535 7.951 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.264 6.429 -5.961 1.00 0.00 H new ATOM 91 N ILE A 7 4.787 12.067 -8.001 1.00 0.00 N ATOM 92 CA ILE A 7 5.924 12.971 -8.115 1.00 0.00 C ATOM 93 C ILE A 7 5.463 14.420 -7.992 1.00 0.00 C ATOM 94 O ILE A 7 4.422 14.785 -8.538 1.00 0.00 O ATOM 95 CB ILE A 7 6.651 12.754 -9.449 1.00 0.00 C ATOM 96 CG1 ILE A 7 6.905 11.273 -9.756 1.00 0.00 C ATOM 97 CG2 ILE A 7 7.982 13.513 -9.436 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.668 10.550 -8.652 1.00 0.00 C ATOM 0 H ILE A 7 4.100 12.180 -8.746 1.00 0.00 H new ATOM 0 HA ILE A 7 6.619 12.756 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 7 6.000 13.136 -10.236 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.950 10.773 -9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.465 11.193 -10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.498 13.359 -10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.793 14.577 -9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.603 13.144 -8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.814 9.507 -8.933 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.638 11.026 -8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.099 10.599 -7.724 1.00 0.00 H new ATOM 110 N LEU A 8 6.236 15.243 -7.280 1.00 0.00 N ATOM 111 CA LEU A 8 5.982 16.671 -7.159 1.00 0.00 C ATOM 112 C LEU A 8 6.953 17.422 -8.071 1.00 0.00 C ATOM 113 O LEU A 8 8.150 17.133 -8.072 1.00 0.00 O ATOM 114 CB LEU A 8 6.146 17.083 -5.690 1.00 0.00 C ATOM 115 CG LEU A 8 5.295 18.281 -5.252 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.752 18.726 -3.864 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.389 19.486 -6.179 1.00 0.00 C ATOM 0 H LEU A 8 7.061 14.930 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 8 4.966 16.917 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.896 16.230 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.195 17.317 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 8 4.260 17.941 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.155 19.578 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.625 17.905 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.803 19.013 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.758 20.289 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.423 19.829 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.054 19.204 -7.177 1.00 0.00 H new ATOM 129 N ILE A 9 6.450 18.386 -8.846 1.00 0.00 N ATOM 130 CA ILE A 9 7.262 19.195 -9.743 1.00 0.00 C ATOM 131 C ILE A 9 7.570 20.530 -9.067 1.00 0.00 C ATOM 132 O ILE A 9 6.658 21.228 -8.627 1.00 0.00 O ATOM 133 CB ILE A 9 6.515 19.389 -11.069 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.266 18.035 -11.748 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.322 20.300 -11.999 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.335 18.169 -12.954 1.00 0.00 C ATOM 0 H ILE A 9 5.459 18.625 -8.865 1.00 0.00 H new ATOM 0 HA ILE A 9 8.207 18.697 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 9 5.553 19.856 -10.860 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.217 17.608 -12.068 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.831 17.341 -11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.783 20.431 -12.937 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.465 21.270 -11.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.293 19.847 -12.199 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.183 17.189 -13.407 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.375 18.571 -12.630 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.782 18.842 -13.686 1.00 0.00 H new ATOM 148 N VAL A 10 8.854 20.890 -8.986 1.00 0.00 N ATOM 149 CA VAL A 10 9.291 22.132 -8.355 1.00 0.00 C ATOM 150 C VAL A 10 10.281 22.845 -9.267 1.00 0.00 C ATOM 151 O VAL A 10 11.409 22.377 -9.427 1.00 0.00 O ATOM 152 CB VAL A 10 9.944 21.828 -7.001 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.250 23.137 -6.276 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.047 20.971 -6.105 1.00 0.00 C ATOM 0 H VAL A 10 9.618 20.326 -9.357 1.00 0.00 H new ATOM 0 HA VAL A 10 8.428 22.777 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 10 10.859 21.270 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.714 22.920 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.931 23.737 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.324 23.689 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.553 20.782 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.111 21.497 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.838 20.023 -6.600 1.00 0.00 H new ATOM 164 N GLU A 11 9.875 23.968 -9.867 1.00 0.00 N ATOM 165 CA GLU A 11 10.726 24.689 -10.804 1.00 0.00 C ATOM 166 C GLU A 11 10.564 26.203 -10.675 1.00 0.00 C ATOM 167 O GLU A 11 9.565 26.686 -10.143 1.00 0.00 O ATOM 168 CB GLU A 11 10.432 24.254 -12.241 1.00 0.00 C ATOM 169 CG GLU A 11 10.661 22.752 -12.425 1.00 0.00 C ATOM 170 CD GLU A 11 10.659 22.370 -13.902 1.00 0.00 C ATOM 171 OE1 GLU A 11 9.607 21.888 -14.370 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.717 22.564 -14.543 1.00 0.00 O ATOM 0 H GLU A 11 8.960 24.394 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 11 11.758 24.442 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.401 24.501 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.070 24.808 -12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.612 22.469 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.883 22.196 -11.902 1.00 0.00 H new ATOM 179 N ASP A 12 11.556 26.952 -11.168 1.00 0.00 N ATOM 180 CA ASP A 12 11.548 28.410 -11.122 1.00 0.00 C ATOM 181 C ASP A 12 10.878 29.007 -12.360 1.00 0.00 C ATOM 182 O ASP A 12 10.709 30.221 -12.454 1.00 0.00 O ATOM 183 CB ASP A 12 12.992 28.908 -10.973 1.00 0.00 C ATOM 184 CG ASP A 12 13.056 30.420 -10.784 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.626 31.092 -11.674 1.00 0.00 O ATOM 186 OD2 ASP A 12 12.536 30.897 -9.749 1.00 0.00 O ATOM 0 H ASP A 12 12.387 26.559 -11.610 1.00 0.00 H new ATOM 0 HA ASP A 12 10.962 28.738 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.460 28.416 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.565 28.628 -11.857 1.00 0.00 H new ATOM 191 N GLU A 13 10.493 28.160 -13.322 1.00 0.00 N ATOM 192 CA GLU A 13 9.905 28.609 -14.576 1.00 0.00 C ATOM 193 C GLU A 13 8.761 27.687 -15.006 1.00 0.00 C ATOM 194 O GLU A 13 8.859 26.468 -14.861 1.00 0.00 O ATOM 195 CB GLU A 13 10.998 28.700 -15.645 1.00 0.00 C ATOM 196 CG GLU A 13 11.672 27.349 -15.896 1.00 0.00 C ATOM 197 CD GLU A 13 12.957 27.532 -16.699 1.00 0.00 C ATOM 198 OE1 GLU A 13 14.034 27.508 -16.062 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.852 27.694 -17.936 1.00 0.00 O ATOM 0 H GLU A 13 10.583 27.147 -13.247 1.00 0.00 H new ATOM 0 HA GLU A 13 9.474 29.601 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.565 29.067 -16.575 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.749 29.427 -15.334 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.896 26.866 -14.945 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.990 26.691 -16.435 1.00 0.00 H new ATOM 206 N PRO A 14 7.672 28.261 -15.535 1.00 0.00 N ATOM 207 CA PRO A 14 6.461 27.535 -15.874 1.00 0.00 C ATOM 208 C PRO A 14 6.557 26.819 -17.222 1.00 0.00 C ATOM 209 O PRO A 14 5.728 25.962 -17.515 1.00 0.00 O ATOM 210 CB PRO A 14 5.383 28.614 -15.933 1.00 0.00 C ATOM 211 CG PRO A 14 6.149 29.815 -16.478 1.00 0.00 C ATOM 212 CD PRO A 14 7.513 29.680 -15.802 1.00 0.00 C ATOM 0 HA PRO A 14 6.259 26.750 -15.145 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.558 28.328 -16.586 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.957 28.816 -14.950 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.231 29.784 -17.564 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.662 30.756 -16.222 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.310 30.050 -16.447 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.554 30.260 -14.880 1.00 0.00 H new ATOM 220 N LEU A 15 7.552 27.152 -18.053 1.00 0.00 N ATOM 221 CA LEU A 15 7.641 26.575 -19.387 1.00 0.00 C ATOM 222 C LEU A 15 8.018 25.099 -19.312 1.00 0.00 C ATOM 223 O LEU A 15 7.421 24.268 -19.995 1.00 0.00 O ATOM 224 CB LEU A 15 8.673 27.352 -20.215 1.00 0.00 C ATOM 225 CG LEU A 15 8.327 28.838 -20.353 1.00 0.00 C ATOM 226 CD1 LEU A 15 9.404 29.520 -21.190 1.00 0.00 C ATOM 227 CD2 LEU A 15 6.976 29.041 -21.039 1.00 0.00 C ATOM 0 H LEU A 15 8.296 27.811 -17.823 1.00 0.00 H new ATOM 0 HA LEU A 15 6.667 26.649 -19.870 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.654 27.254 -19.749 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.745 26.907 -21.207 1.00 0.00 H new ATOM 0 HG LEU A 15 8.274 29.268 -19.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.167 30.579 -21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.371 29.411 -20.698 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.445 29.058 -22.177 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.765 30.107 -21.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.004 28.601 -22.036 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.194 28.559 -20.452 1.00 0.00 H new ATOM 239 N ILE A 16 9.006 24.767 -18.481 1.00 0.00 N ATOM 240 CA ILE A 16 9.440 23.384 -18.343 1.00 0.00 C ATOM 241 C ILE A 16 8.439 22.620 -17.479 1.00 0.00 C ATOM 242 O ILE A 16 8.318 21.403 -17.601 1.00 0.00 O ATOM 243 CB ILE A 16 10.859 23.348 -17.757 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.834 24.188 -18.596 1.00 0.00 C ATOM 245 CG2 ILE A 16 11.358 21.904 -17.670 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.958 23.702 -20.045 1.00 0.00 C ATOM 0 H ILE A 16 9.515 25.433 -17.900 1.00 0.00 H new ATOM 0 HA ILE A 16 9.474 22.897 -19.318 1.00 0.00 H new ATOM 0 HB ILE A 16 10.817 23.777 -16.756 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.502 25.226 -18.595 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.818 24.167 -18.127 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.365 21.892 -17.253 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.692 21.327 -17.028 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.373 21.463 -18.667 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.661 24.338 -20.583 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.318 22.673 -20.054 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.983 23.749 -20.529 1.00 0.00 H new ATOM 258 N ALA A 17 7.712 23.326 -16.607 1.00 0.00 N ATOM 259 CA ALA A 17 6.712 22.695 -15.763 1.00 0.00 C ATOM 260 C ALA A 17 5.553 22.171 -16.605 1.00 0.00 C ATOM 261 O ALA A 17 4.882 21.222 -16.202 1.00 0.00 O ATOM 262 CB ALA A 17 6.229 23.708 -14.729 1.00 0.00 C ATOM 0 H ALA A 17 7.803 24.333 -16.473 1.00 0.00 H new ATOM 0 HA ALA A 17 7.151 21.841 -15.248 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.478 23.245 -14.089 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.071 24.036 -14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.793 24.567 -15.238 1.00 0.00 H new ATOM 268 N MET A 18 5.312 22.773 -17.774 1.00 0.00 N ATOM 269 CA MET A 18 4.286 22.294 -18.685 1.00 0.00 C ATOM 270 C MET A 18 4.825 21.136 -19.524 1.00 0.00 C ATOM 271 O MET A 18 4.052 20.295 -19.976 1.00 0.00 O ATOM 272 CB MET A 18 3.803 23.438 -19.579 1.00 0.00 C ATOM 273 CG MET A 18 3.042 24.482 -18.762 1.00 0.00 C ATOM 274 SD MET A 18 1.502 23.876 -18.026 1.00 0.00 S ATOM 275 CE MET A 18 0.976 25.388 -17.183 1.00 0.00 C ATOM 0 H MET A 18 5.818 23.594 -18.106 1.00 0.00 H new ATOM 0 HA MET A 18 3.437 21.929 -18.107 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.656 23.906 -20.071 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.158 23.044 -20.365 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.692 24.848 -17.967 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.814 25.333 -19.404 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.033 25.208 -16.667 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.735 25.684 -16.459 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.842 26.185 -17.915 1.00 0.00 H new ATOM 285 N MET A 19 6.146 21.077 -19.737 1.00 0.00 N ATOM 286 CA MET A 19 6.744 19.952 -20.444 1.00 0.00 C ATOM 287 C MET A 19 6.799 18.720 -19.545 1.00 0.00 C ATOM 288 O MET A 19 6.741 17.595 -20.039 1.00 0.00 O ATOM 289 CB MET A 19 8.145 20.324 -20.940 1.00 0.00 C ATOM 290 CG MET A 19 8.078 21.449 -21.973 1.00 0.00 C ATOM 291 SD MET A 19 7.086 21.086 -23.450 1.00 0.00 S ATOM 292 CE MET A 19 8.030 19.695 -24.126 1.00 0.00 C ATOM 0 H MET A 19 6.809 21.789 -19.431 1.00 0.00 H new ATOM 0 HA MET A 19 6.123 19.713 -21.307 1.00 0.00 H new ATOM 0 HB2 MET A 19 8.763 20.635 -20.097 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.623 19.449 -21.380 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.671 22.338 -21.492 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.093 21.692 -22.288 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.690 19.483 -25.140 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.090 19.949 -24.145 1.00 0.00 H new ATOM 0 HE3 MET A 19 7.879 18.815 -23.501 1.00 0.00 H new ATOM 302 N LEU A 20 6.905 18.917 -18.227 1.00 0.00 N ATOM 303 CA LEU A 20 6.896 17.805 -17.286 1.00 0.00 C ATOM 304 C LEU A 20 5.474 17.280 -17.102 1.00 0.00 C ATOM 305 O LEU A 20 5.293 16.096 -16.842 1.00 0.00 O ATOM 306 CB LEU A 20 7.477 18.264 -15.944 1.00 0.00 C ATOM 307 CG LEU A 20 8.960 17.914 -15.777 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.106 16.405 -15.580 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.783 18.381 -16.972 1.00 0.00 C ATOM 0 H LEU A 20 6.998 19.836 -17.794 1.00 0.00 H new ATOM 0 HA LEU A 20 7.511 16.996 -17.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.352 19.343 -15.851 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.909 17.807 -15.134 1.00 0.00 H new ATOM 0 HG LEU A 20 9.342 18.434 -14.898 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.160 16.154 -15.461 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.557 16.100 -14.689 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.705 15.884 -16.449 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.829 18.116 -16.819 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.415 17.899 -17.878 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.694 19.462 -17.075 1.00 0.00 H new ATOM 321 N GLU A 21 4.468 18.144 -17.238 1.00 0.00 N ATOM 322 CA GLU A 21 3.083 17.705 -17.166 1.00 0.00 C ATOM 323 C GLU A 21 2.687 16.995 -18.457 1.00 0.00 C ATOM 324 O GLU A 21 1.743 16.208 -18.465 1.00 0.00 O ATOM 325 CB GLU A 21 2.181 18.914 -16.905 1.00 0.00 C ATOM 326 CG GLU A 21 2.278 19.382 -15.452 1.00 0.00 C ATOM 327 CD GLU A 21 1.551 18.424 -14.511 1.00 0.00 C ATOM 328 OE1 GLU A 21 2.197 17.464 -14.040 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.349 18.660 -14.267 1.00 0.00 O ATOM 0 H GLU A 21 4.589 19.144 -17.397 1.00 0.00 H new ATOM 0 HA GLU A 21 2.966 16.997 -16.346 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.463 19.730 -17.571 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.148 18.655 -17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.326 19.456 -15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.850 20.380 -15.360 1.00 0.00 H new ATOM 336 N ASP A 22 3.401 17.262 -19.554 1.00 0.00 N ATOM 337 CA ASP A 22 3.089 16.636 -20.827 1.00 0.00 C ATOM 338 C ASP A 22 3.637 15.214 -20.894 1.00 0.00 C ATOM 339 O ASP A 22 2.928 14.308 -21.327 1.00 0.00 O ATOM 340 CB ASP A 22 3.640 17.503 -21.960 1.00 0.00 C ATOM 341 CG ASP A 22 3.244 16.942 -23.324 1.00 0.00 C ATOM 342 OD1 ASP A 22 2.056 17.101 -23.686 1.00 0.00 O ATOM 343 OD2 ASP A 22 4.124 16.363 -23.995 1.00 0.00 O ATOM 0 H ASP A 22 4.193 17.904 -19.580 1.00 0.00 H new ATOM 0 HA ASP A 22 2.007 16.560 -20.933 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.264 18.521 -21.859 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.726 17.556 -21.886 1.00 0.00 H new ATOM 348 N PHE A 23 4.887 14.990 -20.474 1.00 0.00 N ATOM 349 CA PHE A 23 5.462 13.656 -20.562 1.00 0.00 C ATOM 350 C PHE A 23 4.983 12.740 -19.439 1.00 0.00 C ATOM 351 O PHE A 23 5.004 11.524 -19.612 1.00 0.00 O ATOM 352 CB PHE A 23 6.986 13.749 -20.581 1.00 0.00 C ATOM 353 CG PHE A 23 7.543 14.262 -21.891 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.235 15.480 -21.947 1.00 0.00 C ATOM 355 CD2 PHE A 23 7.365 13.509 -23.062 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.744 15.944 -23.168 1.00 0.00 C ATOM 357 CE2 PHE A 23 7.873 13.971 -24.282 1.00 0.00 C ATOM 358 CZ PHE A 23 8.562 15.191 -24.337 1.00 0.00 C ATOM 0 H PHE A 23 5.503 15.701 -20.079 1.00 0.00 H new ATOM 0 HA PHE A 23 5.118 13.207 -21.494 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.312 14.406 -19.775 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.405 12.763 -20.378 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.376 16.062 -21.048 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.834 12.569 -23.022 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.277 16.882 -23.208 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.734 13.388 -25.180 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.952 15.550 -25.278 1.00 0.00 H new ATOM 368 N LEU A 24 4.549 13.278 -18.293 1.00 0.00 N ATOM 369 CA LEU A 24 4.056 12.420 -17.225 1.00 0.00 C ATOM 370 C LEU A 24 2.631 11.948 -17.513 1.00 0.00 C ATOM 371 O LEU A 24 2.211 10.926 -16.972 1.00 0.00 O ATOM 372 CB LEU A 24 4.152 13.153 -15.883 1.00 0.00 C ATOM 373 CG LEU A 24 5.605 13.373 -15.447 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.623 14.171 -14.144 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.326 12.050 -15.200 1.00 0.00 C ATOM 0 H LEU A 24 4.531 14.277 -18.090 1.00 0.00 H new ATOM 0 HA LEU A 24 4.680 11.528 -17.171 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.648 14.116 -15.960 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.628 12.579 -15.119 1.00 0.00 H new ATOM 0 HG LEU A 24 6.114 13.908 -16.248 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.654 14.330 -13.829 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.138 15.135 -14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.089 13.618 -13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.353 12.247 -14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.812 11.497 -14.414 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.328 11.460 -16.117 1.00 0.00 H new ATOM 387 N GLU A 25 1.881 12.665 -18.356 1.00 0.00 N ATOM 388 CA GLU A 25 0.550 12.224 -18.752 1.00 0.00 C ATOM 389 C GLU A 25 0.618 11.255 -19.933 1.00 0.00 C ATOM 390 O GLU A 25 -0.301 10.463 -20.130 1.00 0.00 O ATOM 391 CB GLU A 25 -0.313 13.439 -19.093 1.00 0.00 C ATOM 392 CG GLU A 25 -0.667 14.240 -17.835 1.00 0.00 C ATOM 393 CD GLU A 25 -1.568 13.441 -16.897 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.691 13.095 -17.328 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.131 13.180 -15.754 1.00 0.00 O ATOM 0 H GLU A 25 2.176 13.548 -18.773 1.00 0.00 H new ATOM 0 HA GLU A 25 0.096 11.689 -17.918 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.218 14.079 -19.797 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.227 13.111 -19.588 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.247 14.520 -17.312 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.167 15.165 -18.121 1.00 0.00 H new ATOM 402 N VAL A 26 1.699 11.310 -20.721 1.00 0.00 N ATOM 403 CA VAL A 26 1.892 10.413 -21.854 1.00 0.00 C ATOM 404 C VAL A 26 2.523 9.094 -21.404 1.00 0.00 C ATOM 405 O VAL A 26 2.453 8.100 -22.125 1.00 0.00 O ATOM 406 CB VAL A 26 2.734 11.131 -22.923 1.00 0.00 C ATOM 407 CG1 VAL A 26 3.179 10.194 -24.046 1.00 0.00 C ATOM 408 CG2 VAL A 26 1.896 12.247 -23.549 1.00 0.00 C ATOM 0 H VAL A 26 2.459 11.977 -20.587 1.00 0.00 H new ATOM 0 HA VAL A 26 0.928 10.157 -22.293 1.00 0.00 H new ATOM 0 HB VAL A 26 3.624 11.518 -22.426 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.770 10.752 -24.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.783 9.388 -23.629 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.302 9.773 -24.538 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.485 12.762 -24.308 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.005 11.819 -24.009 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.600 12.957 -22.776 1.00 0.00 H new ATOM 418 N LEU A 27 3.140 9.075 -20.216 1.00 0.00 N ATOM 419 CA LEU A 27 3.784 7.883 -19.678 1.00 0.00 C ATOM 420 C LEU A 27 2.954 7.245 -18.560 1.00 0.00 C ATOM 421 O LEU A 27 3.481 6.482 -17.753 1.00 0.00 O ATOM 422 CB LEU A 27 5.211 8.212 -19.231 1.00 0.00 C ATOM 423 CG LEU A 27 6.090 8.650 -20.409 1.00 0.00 C ATOM 424 CD1 LEU A 27 7.468 9.049 -19.890 1.00 0.00 C ATOM 425 CD2 LEU A 27 6.267 7.527 -21.427 1.00 0.00 C ATOM 0 H LEU A 27 3.204 9.889 -19.605 1.00 0.00 H new ATOM 0 HA LEU A 27 3.847 7.136 -20.469 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.184 9.005 -18.483 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.653 7.338 -18.753 1.00 0.00 H new ATOM 0 HG LEU A 27 5.597 9.491 -20.897 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.095 9.361 -20.725 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.366 9.874 -19.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.928 8.198 -19.389 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.895 7.875 -22.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.739 6.671 -20.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.293 7.232 -21.817 1.00 0.00 H new ATOM 437 N ASP A 28 1.653 7.559 -18.513 1.00 0.00 N ATOM 438 CA ASP A 28 0.714 6.995 -17.551 1.00 0.00 C ATOM 439 C ASP A 28 1.169 7.161 -16.099 1.00 0.00 C ATOM 440 O ASP A 28 0.847 6.329 -15.249 1.00 0.00 O ATOM 441 CB ASP A 28 0.394 5.539 -17.903 1.00 0.00 C ATOM 442 CG ASP A 28 -0.156 5.415 -19.320 1.00 0.00 C ATOM 443 OD1 ASP A 28 0.555 4.839 -20.173 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.288 5.902 -19.541 1.00 0.00 O ATOM 0 H ASP A 28 1.222 8.224 -19.156 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.210 7.569 -17.625 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.295 4.934 -17.807 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.333 5.143 -17.193 1.00 0.00 H new ATOM 449 N LYS A 29 1.914 8.231 -15.806 1.00 0.00 N ATOM 450 CA LYS A 29 2.376 8.535 -14.459 1.00 0.00 C ATOM 451 C LYS A 29 1.285 9.320 -13.728 1.00 0.00 C ATOM 452 O LYS A 29 0.367 9.837 -14.361 1.00 0.00 O ATOM 453 CB LYS A 29 3.698 9.312 -14.555 1.00 0.00 C ATOM 454 CG LYS A 29 4.787 8.759 -13.633 1.00 0.00 C ATOM 455 CD LYS A 29 4.387 8.858 -12.161 1.00 0.00 C ATOM 456 CE LYS A 29 5.590 8.597 -11.252 1.00 0.00 C ATOM 457 NZ LYS A 29 6.145 7.240 -11.442 1.00 0.00 N ATOM 0 H LYS A 29 2.212 8.911 -16.505 1.00 0.00 H new ATOM 0 HA LYS A 29 2.567 7.627 -13.887 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.054 9.286 -15.585 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.517 10.358 -14.307 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.984 7.718 -13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.715 9.308 -13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.979 9.848 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.599 8.137 -11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.364 9.337 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.292 8.724 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.444 6.855 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.418 6.622 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.964 7.286 -12.081 1.00 0.00 H new ATOM 471 N THR A 30 1.376 9.415 -12.397 1.00 0.00 N ATOM 472 CA THR A 30 0.364 10.091 -11.591 1.00 0.00 C ATOM 473 C THR A 30 0.987 11.211 -10.755 1.00 0.00 C ATOM 474 O THR A 30 1.106 11.079 -9.539 1.00 0.00 O ATOM 475 CB THR A 30 -0.349 9.058 -10.712 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.780 7.977 -11.512 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.575 9.671 -10.033 1.00 0.00 C ATOM 0 H THR A 30 2.148 9.027 -11.855 1.00 0.00 H new ATOM 0 HA THR A 30 -0.370 10.559 -12.247 1.00 0.00 H new ATOM 0 HB THR A 30 0.353 8.719 -9.950 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.235 7.315 -10.950 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.063 8.918 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.264 10.508 -9.407 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.272 10.025 -10.792 1.00 0.00 H new ATOM 485 N PRO A 31 1.396 12.322 -11.383 1.00 0.00 N ATOM 486 CA PRO A 31 1.953 13.462 -10.678 1.00 0.00 C ATOM 487 C PRO A 31 0.903 14.034 -9.729 1.00 0.00 C ATOM 488 O PRO A 31 -0.295 13.918 -9.980 1.00 0.00 O ATOM 489 CB PRO A 31 2.367 14.460 -11.761 1.00 0.00 C ATOM 490 CG PRO A 31 1.455 14.102 -12.934 1.00 0.00 C ATOM 491 CD PRO A 31 1.322 12.586 -12.808 1.00 0.00 C ATOM 0 HA PRO A 31 2.814 13.202 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.220 15.490 -11.437 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.420 14.356 -12.023 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.488 14.600 -12.862 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.892 14.392 -13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.378 12.236 -13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.119 12.073 -13.347 1.00 0.00 H new ATOM 499 N VAL A 32 1.352 14.651 -8.632 1.00 0.00 N ATOM 500 CA VAL A 32 0.453 15.097 -7.575 1.00 0.00 C ATOM 501 C VAL A 32 0.371 16.614 -7.449 1.00 0.00 C ATOM 502 O VAL A 32 -0.450 17.112 -6.679 1.00 0.00 O ATOM 503 CB VAL A 32 0.852 14.461 -6.240 1.00 0.00 C ATOM 504 CG1 VAL A 32 0.774 12.938 -6.348 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.270 14.856 -5.832 1.00 0.00 C ATOM 0 H VAL A 32 2.337 14.851 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.547 14.764 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 32 0.159 14.823 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.059 12.491 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.245 12.643 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.453 12.593 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.519 14.386 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.974 14.524 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.330 15.939 -5.729 1.00 0.00 H new ATOM 515 N GLY A 33 1.198 17.358 -8.185 1.00 0.00 N ATOM 516 CA GLY A 33 1.120 18.809 -8.157 1.00 0.00 C ATOM 517 C GLY A 33 2.355 19.474 -8.747 1.00 0.00 C ATOM 518 O GLY A 33 3.329 18.812 -9.104 1.00 0.00 O ATOM 0 H GLY A 33 1.920 16.980 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.239 19.132 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.990 19.142 -7.127 1.00 0.00 H new ATOM 522 N THR A 34 2.291 20.803 -8.842 1.00 0.00 N ATOM 523 CA THR A 34 3.383 21.640 -9.315 1.00 0.00 C ATOM 524 C THR A 34 3.429 22.905 -8.470 1.00 0.00 C ATOM 525 O THR A 34 2.386 23.468 -8.143 1.00 0.00 O ATOM 526 CB THR A 34 3.176 21.990 -10.789 1.00 0.00 C ATOM 527 OG1 THR A 34 3.109 20.815 -11.565 1.00 0.00 O ATOM 528 CG2 THR A 34 4.325 22.844 -11.316 1.00 0.00 C ATOM 0 H THR A 34 1.459 21.334 -8.586 1.00 0.00 H new ATOM 0 HA THR A 34 4.328 21.105 -9.223 1.00 0.00 H new ATOM 0 HB THR A 34 2.243 22.548 -10.865 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.975 21.052 -12.506 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.152 23.078 -12.366 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.383 23.769 -10.743 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.262 22.296 -11.216 1.00 0.00 H new ATOM 536 N VAL A 35 4.634 23.357 -8.116 1.00 0.00 N ATOM 537 CA VAL A 35 4.824 24.561 -7.317 1.00 0.00 C ATOM 538 C VAL A 35 5.990 25.380 -7.866 1.00 0.00 C ATOM 539 O VAL A 35 6.879 24.845 -8.528 1.00 0.00 O ATOM 540 CB VAL A 35 5.037 24.208 -5.841 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.784 23.563 -5.251 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.211 23.246 -5.657 1.00 0.00 C ATOM 0 H VAL A 35 5.505 22.895 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 35 3.922 25.169 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 35 5.254 25.141 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.959 23.321 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.947 24.257 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.551 22.651 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.332 23.018 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.016 22.325 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.123 23.708 -6.035 1.00 0.00 H new ATOM 552 N ASP A 36 5.978 26.684 -7.585 1.00 0.00 N ATOM 553 CA ASP A 36 6.976 27.618 -8.096 1.00 0.00 C ATOM 554 C ASP A 36 7.928 28.097 -7.000 1.00 0.00 C ATOM 555 O ASP A 36 8.802 28.924 -7.257 1.00 0.00 O ATOM 556 CB ASP A 36 6.267 28.796 -8.766 1.00 0.00 C ATOM 557 CG ASP A 36 5.355 28.338 -9.897 1.00 0.00 C ATOM 558 OD1 ASP A 36 4.131 28.239 -9.654 1.00 0.00 O ATOM 559 OD2 ASP A 36 5.885 28.087 -11.003 1.00 0.00 O ATOM 0 H ASP A 36 5.271 27.121 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 36 7.590 27.099 -8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.681 29.338 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.009 29.492 -9.157 1.00 0.00 H new ATOM 564 N THR A 37 7.763 27.586 -5.777 1.00 0.00 N ATOM 565 CA THR A 37 8.593 27.962 -4.639 1.00 0.00 C ATOM 566 C THR A 37 8.931 26.735 -3.803 1.00 0.00 C ATOM 567 O THR A 37 8.234 25.721 -3.859 1.00 0.00 O ATOM 568 CB THR A 37 7.882 29.005 -3.770 1.00 0.00 C ATOM 569 OG1 THR A 37 6.694 28.459 -3.244 1.00 0.00 O ATOM 570 CG2 THR A 37 7.538 30.261 -4.569 1.00 0.00 C ATOM 0 H THR A 37 7.045 26.897 -5.552 1.00 0.00 H new ATOM 0 HA THR A 37 9.516 28.398 -5.021 1.00 0.00 H new ATOM 0 HB THR A 37 8.562 29.282 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.244 29.129 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.035 30.978 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.453 30.705 -4.960 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.880 29.997 -5.397 1.00 0.00 H new ATOM 578 N VAL A 38 10.008 26.824 -3.016 1.00 0.00 N ATOM 579 CA VAL A 38 10.414 25.727 -2.147 1.00 0.00 C ATOM 580 C VAL A 38 9.498 25.638 -0.928 1.00 0.00 C ATOM 581 O VAL A 38 9.385 24.580 -0.310 1.00 0.00 O ATOM 582 CB VAL A 38 11.877 25.896 -1.722 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.790 25.886 -2.947 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.098 27.200 -0.952 1.00 0.00 C ATOM 0 H VAL A 38 10.610 27.646 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 38 10.326 24.793 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 38 12.119 25.059 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.826 26.007 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.680 24.939 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.516 26.705 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.147 27.282 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.825 28.046 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.479 27.202 -0.055 1.00 0.00 H new ATOM 594 N ALA A 39 8.837 26.745 -0.575 1.00 0.00 N ATOM 595 CA ALA A 39 7.910 26.772 0.545 1.00 0.00 C ATOM 596 C ALA A 39 6.602 26.081 0.162 1.00 0.00 C ATOM 597 O ALA A 39 5.895 25.571 1.029 1.00 0.00 O ATOM 598 CB ALA A 39 7.677 28.221 0.963 1.00 0.00 C ATOM 0 H ALA A 39 8.933 27.638 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 39 8.331 26.229 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.983 28.250 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.624 28.671 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.257 28.778 0.126 1.00 0.00 H new ATOM 604 N GLY A 40 6.279 26.061 -1.138 1.00 0.00 N ATOM 605 CA GLY A 40 5.096 25.374 -1.630 1.00 0.00 C ATOM 606 C GLY A 40 5.309 23.862 -1.621 1.00 0.00 C ATOM 607 O GLY A 40 4.345 23.103 -1.542 1.00 0.00 O ATOM 0 H GLY A 40 6.829 26.518 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.237 25.629 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.869 25.709 -2.642 1.00 0.00 H new ATOM 611 N ALA A 41 6.567 23.418 -1.696 1.00 0.00 N ATOM 612 CA ALA A 41 6.879 22.001 -1.660 1.00 0.00 C ATOM 613 C ALA A 41 6.814 21.482 -0.227 1.00 0.00 C ATOM 614 O ALA A 41 6.479 20.322 -0.005 1.00 0.00 O ATOM 615 CB ALA A 41 8.264 21.772 -2.273 1.00 0.00 C ATOM 0 H ALA A 41 7.381 24.026 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 41 6.144 21.448 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.502 20.709 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.267 22.120 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.010 22.324 -1.702 1.00 0.00 H new ATOM 621 N LEU A 42 7.130 22.341 0.753 1.00 0.00 N ATOM 622 CA LEU A 42 7.042 21.968 2.158 1.00 0.00 C ATOM 623 C LEU A 42 5.592 21.999 2.629 1.00 0.00 C ATOM 624 O LEU A 42 5.204 21.210 3.487 1.00 0.00 O ATOM 625 CB LEU A 42 7.901 22.919 2.997 1.00 0.00 C ATOM 626 CG LEU A 42 9.399 22.759 2.719 1.00 0.00 C ATOM 627 CD1 LEU A 42 10.162 23.809 3.524 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.890 21.369 3.130 1.00 0.00 C ATOM 0 H LEU A 42 7.448 23.297 0.591 1.00 0.00 H new ATOM 0 HA LEU A 42 7.415 20.951 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.605 23.948 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.710 22.738 4.055 1.00 0.00 H new ATOM 0 HG LEU A 42 9.571 22.886 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.231 23.706 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.835 24.805 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.966 23.666 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.956 21.283 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.716 21.222 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.348 20.610 2.566 1.00 0.00 H new ATOM 640 N ALA A 43 4.779 22.902 2.073 1.00 0.00 N ATOM 641 CA ALA A 43 3.386 23.006 2.470 1.00 0.00 C ATOM 642 C ALA A 43 2.558 21.870 1.872 1.00 0.00 C ATOM 643 O ALA A 43 1.522 21.505 2.430 1.00 0.00 O ATOM 644 CB ALA A 43 2.850 24.365 2.017 1.00 0.00 C ATOM 0 H ALA A 43 5.066 23.564 1.352 1.00 0.00 H new ATOM 0 HA ALA A 43 3.311 22.923 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.804 24.459 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.430 25.160 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.934 24.446 0.933 1.00 0.00 H new ATOM 650 N ARG A 44 3.001 21.305 0.742 1.00 0.00 N ATOM 651 CA ARG A 44 2.286 20.226 0.076 1.00 0.00 C ATOM 652 C ARG A 44 2.688 18.853 0.610 1.00 0.00 C ATOM 653 O ARG A 44 1.897 17.917 0.531 1.00 0.00 O ATOM 654 CB ARG A 44 2.511 20.351 -1.432 1.00 0.00 C ATOM 655 CG ARG A 44 1.458 19.562 -2.205 1.00 0.00 C ATOM 656 CD ARG A 44 1.629 19.802 -3.703 1.00 0.00 C ATOM 657 NE ARG A 44 0.511 19.235 -4.467 1.00 0.00 N ATOM 658 CZ ARG A 44 -0.663 19.850 -4.645 1.00 0.00 C ATOM 659 NH1 ARG A 44 -0.899 21.045 -4.110 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.613 19.264 -5.366 1.00 0.00 N ATOM 0 H ARG A 44 3.861 21.586 0.271 1.00 0.00 H new ATOM 0 HA ARG A 44 1.220 20.316 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.472 21.400 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.506 19.985 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.553 18.499 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.459 19.865 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.698 20.873 -3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.565 19.357 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 44 0.638 18.315 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.179 21.506 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.800 21.500 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.446 18.348 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.510 19.730 -5.504 1.00 0.00 H new ATOM 674 N VAL A 45 3.904 18.716 1.152 1.00 0.00 N ATOM 675 CA VAL A 45 4.367 17.432 1.675 1.00 0.00 C ATOM 676 C VAL A 45 3.864 17.199 3.101 1.00 0.00 C ATOM 677 O VAL A 45 3.794 16.057 3.546 1.00 0.00 O ATOM 678 CB VAL A 45 5.893 17.341 1.563 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.590 18.209 2.606 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.357 15.895 1.740 1.00 0.00 C ATOM 0 H VAL A 45 4.579 19.476 1.238 1.00 0.00 H new ATOM 0 HA VAL A 45 3.945 16.629 1.071 1.00 0.00 H new ATOM 0 HB VAL A 45 6.161 17.702 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.670 18.117 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.298 19.250 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.300 17.881 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.443 15.849 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.052 15.533 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.908 15.271 0.967 1.00 0.00 H new ATOM 690 N GLU A 46 3.508 18.270 3.823 1.00 0.00 N ATOM 691 CA GLU A 46 2.911 18.148 5.148 1.00 0.00 C ATOM 692 C GLU A 46 1.509 17.535 5.059 1.00 0.00 C ATOM 693 O GLU A 46 0.958 17.107 6.072 1.00 0.00 O ATOM 694 CB GLU A 46 2.860 19.526 5.815 1.00 0.00 C ATOM 695 CG GLU A 46 4.242 19.958 6.298 1.00 0.00 C ATOM 696 CD GLU A 46 4.681 19.136 7.510 1.00 0.00 C ATOM 697 OE1 GLU A 46 4.276 19.501 8.635 1.00 0.00 O ATOM 698 OE2 GLU A 46 5.420 18.149 7.301 1.00 0.00 O ATOM 0 H GLU A 46 3.626 19.232 3.505 1.00 0.00 H new ATOM 0 HA GLU A 46 3.526 17.482 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.473 20.260 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.169 19.499 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.966 19.839 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.226 21.016 6.559 1.00 0.00 H new ATOM 705 N ASP A 47 0.927 17.491 3.858 1.00 0.00 N ATOM 706 CA ASP A 47 -0.375 16.883 3.623 1.00 0.00 C ATOM 707 C ASP A 47 -0.227 15.400 3.267 1.00 0.00 C ATOM 708 O ASP A 47 -1.211 14.662 3.256 1.00 0.00 O ATOM 709 CB ASP A 47 -1.091 17.660 2.515 1.00 0.00 C ATOM 710 CG ASP A 47 -2.532 17.181 2.332 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.311 17.295 3.308 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.847 16.708 1.215 1.00 0.00 O ATOM 0 H ASP A 47 1.354 17.881 3.018 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.974 16.932 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.088 18.723 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.547 17.544 1.578 1.00 0.00 H new ATOM 717 N GLY A 48 1.002 14.961 2.975 1.00 0.00 N ATOM 718 CA GLY A 48 1.285 13.583 2.593 1.00 0.00 C ATOM 719 C GLY A 48 0.809 13.285 1.172 1.00 0.00 C ATOM 720 O GLY A 48 0.441 14.195 0.428 1.00 0.00 O ATOM 0 H GLY A 48 1.829 15.558 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.357 13.398 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.796 12.903 3.291 1.00 0.00 H new ATOM 724 N GLY A 49 0.815 12.003 0.796 1.00 0.00 N ATOM 725 CA GLY A 49 0.374 11.573 -0.524 1.00 0.00 C ATOM 726 C GLY A 49 1.455 11.738 -1.594 1.00 0.00 C ATOM 727 O GLY A 49 1.155 11.626 -2.780 1.00 0.00 O ATOM 0 H GLY A 49 1.125 11.241 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.072 10.527 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.507 12.147 -0.812 1.00 0.00 H new ATOM 731 N ILE A 50 2.699 12.000 -1.186 1.00 0.00 N ATOM 732 CA ILE A 50 3.814 12.179 -2.110 1.00 0.00 C ATOM 733 C ILE A 50 4.860 11.094 -1.863 1.00 0.00 C ATOM 734 O ILE A 50 5.061 10.670 -0.723 1.00 0.00 O ATOM 735 CB ILE A 50 4.408 13.589 -1.972 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.282 14.633 -1.934 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.369 13.847 -3.138 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.817 16.063 -1.969 1.00 0.00 C ATOM 0 H ILE A 50 2.959 12.093 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 50 3.458 12.081 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 50 4.965 13.668 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.615 14.476 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.688 14.491 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.794 14.847 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.171 13.109 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.827 13.769 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.983 16.764 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.462 16.231 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.388 16.216 -2.885 1.00 0.00 H new ATOM 750 N ASP A 51 5.531 10.644 -2.927 1.00 0.00 N ATOM 751 CA ASP A 51 6.502 9.565 -2.836 1.00 0.00 C ATOM 752 C ASP A 51 7.882 10.005 -3.330 1.00 0.00 C ATOM 753 O ASP A 51 8.883 9.394 -2.957 1.00 0.00 O ATOM 754 CB ASP A 51 5.993 8.369 -3.645 1.00 0.00 C ATOM 755 CG ASP A 51 4.845 7.642 -2.945 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.987 6.415 -2.740 1.00 0.00 O ATOM 757 OD2 ASP A 51 3.832 8.297 -2.618 1.00 0.00 O ATOM 0 H ASP A 51 5.413 11.019 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 51 6.615 9.281 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.660 8.711 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.813 7.671 -3.813 1.00 0.00 H new ATOM 762 N ALA A 52 7.944 11.052 -4.160 1.00 0.00 N ATOM 763 CA ALA A 52 9.195 11.626 -4.642 1.00 0.00 C ATOM 764 C ALA A 52 8.933 13.010 -5.235 1.00 0.00 C ATOM 765 O ALA A 52 7.781 13.407 -5.403 1.00 0.00 O ATOM 766 CB ALA A 52 9.797 10.696 -5.696 1.00 0.00 C ATOM 0 H ALA A 52 7.115 11.527 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 52 9.898 11.732 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.733 11.118 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.988 9.719 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.099 10.587 -6.526 1.00 0.00 H new ATOM 772 N ALA A 53 9.995 13.755 -5.558 1.00 0.00 N ATOM 773 CA ALA A 53 9.861 15.072 -6.165 1.00 0.00 C ATOM 774 C ALA A 53 11.070 15.395 -7.044 1.00 0.00 C ATOM 775 O ALA A 53 12.101 14.731 -6.954 1.00 0.00 O ATOM 776 CB ALA A 53 9.705 16.117 -5.063 1.00 0.00 C ATOM 0 H ALA A 53 10.960 13.461 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 53 8.978 15.082 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.604 17.106 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.816 15.894 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.583 16.099 -4.417 1.00 0.00 H new ATOM 782 N ILE A 54 10.936 16.416 -7.893 1.00 0.00 N ATOM 783 CA ILE A 54 12.018 16.880 -8.749 1.00 0.00 C ATOM 784 C ILE A 54 12.270 18.355 -8.459 1.00 0.00 C ATOM 785 O ILE A 54 11.326 19.139 -8.390 1.00 0.00 O ATOM 786 CB ILE A 54 11.674 16.639 -10.224 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.427 15.143 -10.460 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.818 17.142 -11.110 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.049 14.847 -11.911 1.00 0.00 C ATOM 0 H ILE A 54 10.069 16.943 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 54 12.930 16.321 -8.540 1.00 0.00 H new ATOM 0 HB ILE A 54 10.767 17.187 -10.481 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.324 14.582 -10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.631 14.799 -9.800 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.570 16.969 -12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.965 18.209 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.734 16.606 -10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.883 13.777 -12.033 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.137 15.387 -12.167 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.857 15.166 -12.570 1.00 0.00 H new ATOM 801 N LEU A 55 13.543 18.727 -8.291 1.00 0.00 N ATOM 802 CA LEU A 55 13.937 20.071 -7.897 1.00 0.00 C ATOM 803 C LEU A 55 14.711 20.758 -9.021 1.00 0.00 C ATOM 804 O LEU A 55 15.501 20.130 -9.721 1.00 0.00 O ATOM 805 CB LEU A 55 14.806 20.006 -6.629 1.00 0.00 C ATOM 806 CG LEU A 55 14.036 19.909 -5.305 1.00 0.00 C ATOM 807 CD1 LEU A 55 13.325 21.225 -5.000 1.00 0.00 C ATOM 808 CD2 LEU A 55 13.010 18.778 -5.290 1.00 0.00 C ATOM 0 H LEU A 55 14.331 18.094 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 55 13.037 20.651 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.469 19.144 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.439 20.893 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 55 14.781 19.693 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.785 21.137 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.060 22.026 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.622 21.453 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.500 18.763 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.281 18.937 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.516 17.826 -5.448 1.00 0.00 H new ATOM 820 N ASP A 56 14.481 22.063 -9.182 1.00 0.00 N ATOM 821 CA ASP A 56 15.208 22.898 -10.128 1.00 0.00 C ATOM 822 C ASP A 56 16.326 23.629 -9.394 1.00 0.00 C ATOM 823 O ASP A 56 16.105 24.166 -8.308 1.00 0.00 O ATOM 824 CB ASP A 56 14.216 23.873 -10.767 1.00 0.00 C ATOM 825 CG ASP A 56 14.825 24.817 -11.799 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.088 25.733 -12.230 1.00 0.00 O ATOM 827 OD2 ASP A 56 16.011 24.635 -12.161 1.00 0.00 O ATOM 0 H ASP A 56 13.775 22.572 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 56 15.665 22.299 -10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.420 23.300 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.753 24.467 -9.979 1.00 0.00 H new ATOM 832 N VAL A 57 17.524 23.659 -9.977 1.00 0.00 N ATOM 833 CA VAL A 57 18.666 24.310 -9.354 1.00 0.00 C ATOM 834 C VAL A 57 18.572 25.825 -9.540 1.00 0.00 C ATOM 835 O VAL A 57 19.254 26.580 -8.853 1.00 0.00 O ATOM 836 CB VAL A 57 19.965 23.742 -9.937 1.00 0.00 C ATOM 837 CG1 VAL A 57 21.184 24.290 -9.202 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.988 22.218 -9.790 1.00 0.00 C ATOM 0 H VAL A 57 17.725 23.237 -10.884 1.00 0.00 H new ATOM 0 HA VAL A 57 18.665 24.111 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 57 20.001 24.033 -10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.091 23.870 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.207 25.376 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.127 24.017 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.915 21.826 -10.208 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.925 21.953 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.140 21.788 -10.323 1.00 0.00 H new ATOM 848 N ASN A 58 17.722 26.274 -10.468 1.00 0.00 N ATOM 849 CA ASN A 58 17.495 27.693 -10.701 1.00 0.00 C ATOM 850 C ASN A 58 16.575 28.280 -9.622 1.00 0.00 C ATOM 851 O ASN A 58 16.308 29.480 -9.616 1.00 0.00 O ATOM 852 CB ASN A 58 16.913 27.878 -12.104 1.00 0.00 C ATOM 853 CG ASN A 58 16.949 29.327 -12.572 1.00 0.00 C ATOM 854 OD1 ASN A 58 17.722 30.140 -12.071 1.00 0.00 O ATOM 855 ND2 ASN A 58 16.109 29.661 -13.547 1.00 0.00 N ATOM 0 H ASN A 58 17.176 25.662 -11.074 1.00 0.00 H new ATOM 0 HA ASN A 58 18.440 28.233 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.470 27.260 -12.808 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.882 27.523 -12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.093 30.617 -13.901 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.480 28.961 -13.941 1.00 0.00 H new ATOM 967 N THR A 66 20.185 24.802 -2.041 1.00 0.00 N ATOM 968 CA THR A 66 19.051 23.892 -2.171 1.00 0.00 C ATOM 969 C THR A 66 18.850 23.047 -0.907 1.00 0.00 C ATOM 970 O THR A 66 18.679 21.832 -1.007 1.00 0.00 O ATOM 971 CB THR A 66 19.237 22.984 -3.394 1.00 0.00 C ATOM 972 OG1 THR A 66 20.455 22.275 -3.285 1.00 0.00 O ATOM 973 CG2 THR A 66 19.251 23.783 -4.696 1.00 0.00 C ATOM 0 HA THR A 66 18.155 24.498 -2.307 1.00 0.00 H new ATOM 0 HB THR A 66 18.394 22.294 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.155 22.876 -2.953 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.385 23.104 -5.538 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.307 24.316 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.072 24.500 -4.674 1.00 0.00 H new ATOM 981 N PRO A 67 18.868 23.647 0.294 1.00 0.00 N ATOM 982 CA PRO A 67 18.804 22.912 1.548 1.00 0.00 C ATOM 983 C PRO A 67 17.418 22.321 1.802 1.00 0.00 C ATOM 984 O PRO A 67 17.271 21.477 2.684 1.00 0.00 O ATOM 985 CB PRO A 67 19.152 23.946 2.619 1.00 0.00 C ATOM 986 CG PRO A 67 18.615 25.240 2.020 1.00 0.00 C ATOM 987 CD PRO A 67 18.953 25.075 0.540 1.00 0.00 C ATOM 0 HA PRO A 67 19.485 22.061 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.680 23.715 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.226 23.998 2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.543 25.350 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.095 26.118 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.254 25.626 -0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.950 25.455 0.318 1.00 0.00 H new ATOM 995 N VAL A 68 16.404 22.747 1.045 1.00 0.00 N ATOM 996 CA VAL A 68 15.045 22.248 1.224 1.00 0.00 C ATOM 997 C VAL A 68 14.919 20.834 0.655 1.00 0.00 C ATOM 998 O VAL A 68 14.048 20.074 1.069 1.00 0.00 O ATOM 999 CB VAL A 68 14.052 23.214 0.577 1.00 0.00 C ATOM 1000 CG1 VAL A 68 12.622 22.711 0.758 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.169 24.586 1.246 1.00 0.00 C ATOM 0 H VAL A 68 16.502 23.438 0.301 1.00 0.00 H new ATOM 0 HA VAL A 68 14.813 22.191 2.288 1.00 0.00 H new ATOM 0 HB VAL A 68 14.281 23.285 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.928 23.411 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.519 21.732 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.396 22.631 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.462 25.276 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.946 24.493 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.182 24.967 1.120 1.00 0.00 H new ATOM 1011 N ALA A 69 15.786 20.467 -0.296 1.00 0.00 N ATOM 1012 CA ALA A 69 15.769 19.125 -0.850 1.00 0.00 C ATOM 1013 C ALA A 69 16.236 18.126 0.208 1.00 0.00 C ATOM 1014 O ALA A 69 15.856 16.957 0.178 1.00 0.00 O ATOM 1015 CB ALA A 69 16.680 19.078 -2.079 1.00 0.00 C ATOM 0 H ALA A 69 16.499 21.081 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 69 14.756 18.859 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.672 18.073 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.321 19.787 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.697 19.341 -1.788 1.00 0.00 H new ATOM 1021 N GLU A 70 17.061 18.586 1.151 1.00 0.00 N ATOM 1022 CA GLU A 70 17.581 17.740 2.213 1.00 0.00 C ATOM 1023 C GLU A 70 16.565 17.606 3.342 1.00 0.00 C ATOM 1024 O GLU A 70 16.674 16.697 4.161 1.00 0.00 O ATOM 1025 CB GLU A 70 18.918 18.289 2.701 1.00 0.00 C ATOM 1026 CG GLU A 70 19.918 18.299 1.541 1.00 0.00 C ATOM 1027 CD GLU A 70 21.297 18.749 2.003 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.580 19.963 1.900 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.061 17.870 2.454 1.00 0.00 O ATOM 0 H GLU A 70 17.383 19.553 1.195 1.00 0.00 H new ATOM 0 HA GLU A 70 17.754 16.736 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.788 19.298 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.299 17.677 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.985 17.301 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.560 18.965 0.755 1.00 0.00 H new ATOM 1036 N ALA A 71 15.576 18.502 3.399 1.00 0.00 N ATOM 1037 CA ALA A 71 14.480 18.363 4.339 1.00 0.00 C ATOM 1038 C ALA A 71 13.546 17.255 3.852 1.00 0.00 C ATOM 1039 O ALA A 71 12.940 16.548 4.655 1.00 0.00 O ATOM 1040 CB ALA A 71 13.747 19.698 4.464 1.00 0.00 C ATOM 0 H ALA A 71 15.519 19.328 2.803 1.00 0.00 H new ATOM 0 HA ALA A 71 14.854 18.090 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.923 19.596 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.439 20.461 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.356 19.991 3.490 1.00 0.00 H new ATOM 1046 N LEU A 72 13.425 17.096 2.527 1.00 0.00 N ATOM 1047 CA LEU A 72 12.658 15.997 1.963 1.00 0.00 C ATOM 1048 C LEU A 72 13.409 14.687 2.180 1.00 0.00 C ATOM 1049 O LEU A 72 12.789 13.633 2.294 1.00 0.00 O ATOM 1050 CB LEU A 72 12.419 16.250 0.472 1.00 0.00 C ATOM 1051 CG LEU A 72 11.607 17.525 0.218 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.462 17.733 -1.288 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.215 17.433 0.839 1.00 0.00 C ATOM 0 H LEU A 72 13.849 17.715 1.836 1.00 0.00 H new ATOM 0 HA LEU A 72 11.690 15.927 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.379 16.326 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.895 15.397 0.041 1.00 0.00 H new ATOM 0 HG LEU A 72 12.135 18.362 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.885 18.639 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.450 17.832 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.947 16.878 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.666 18.354 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.678 16.589 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.306 17.290 1.916 1.00 0.00 H new ATOM 1065 N ALA A 73 14.744 14.746 2.244 1.00 0.00 N ATOM 1066 CA ALA A 73 15.555 13.572 2.513 1.00 0.00 C ATOM 1067 C ALA A 73 15.433 13.159 3.980 1.00 0.00 C ATOM 1068 O ALA A 73 15.676 12.001 4.313 1.00 0.00 O ATOM 1069 CB ALA A 73 17.006 13.870 2.143 1.00 0.00 C ATOM 0 H ALA A 73 15.280 15.603 2.111 1.00 0.00 H new ATOM 0 HA ALA A 73 15.200 12.738 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.620 12.992 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.067 14.122 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.368 14.709 2.737 1.00 0.00 H new ATOM 1075 N ALA A 74 15.055 14.097 4.858 1.00 0.00 N ATOM 1076 CA ALA A 74 14.797 13.791 6.256 1.00 0.00 C ATOM 1077 C ALA A 74 13.429 13.128 6.399 1.00 0.00 C ATOM 1078 O ALA A 74 13.159 12.469 7.402 1.00 0.00 O ATOM 1079 CB ALA A 74 14.879 15.079 7.071 1.00 0.00 C ATOM 0 H ALA A 74 14.923 15.079 4.615 1.00 0.00 H new ATOM 0 HA ALA A 74 15.545 13.093 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.687 14.858 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.874 15.512 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.135 15.788 6.707 1.00 0.00 H new ATOM 1085 N ARG A 75 12.568 13.302 5.389 1.00 0.00 N ATOM 1086 CA ARG A 75 11.289 12.607 5.297 1.00 0.00 C ATOM 1087 C ARG A 75 11.429 11.312 4.493 1.00 0.00 C ATOM 1088 O ARG A 75 10.424 10.695 4.145 1.00 0.00 O ATOM 1089 CB ARG A 75 10.228 13.529 4.686 1.00 0.00 C ATOM 1090 CG ARG A 75 10.018 14.803 5.508 1.00 0.00 C ATOM 1091 CD ARG A 75 9.521 14.475 6.919 1.00 0.00 C ATOM 1092 NE ARG A 75 9.263 15.697 7.687 1.00 0.00 N ATOM 1093 CZ ARG A 75 8.136 16.413 7.608 1.00 0.00 C ATOM 1094 NH1 ARG A 75 7.144 16.052 6.801 1.00 0.00 N ATOM 1095 NH2 ARG A 75 7.990 17.510 8.344 1.00 0.00 N ATOM 0 H ARG A 75 12.746 13.935 4.609 1.00 0.00 H new ATOM 0 HA ARG A 75 10.967 12.336 6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.525 13.799 3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.284 12.990 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.954 15.358 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.297 15.448 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.609 13.882 6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.263 13.867 7.437 1.00 0.00 H new ATOM 0 HE ARG A 75 9.991 16.022 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.233 15.214 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.293 16.613 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.738 17.807 8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.130 18.055 8.282 1.00 0.00 H new ATOM 1109 N ASP A 76 12.672 10.907 4.202 1.00 0.00 N ATOM 1110 CA ASP A 76 12.984 9.723 3.410 1.00 0.00 C ATOM 1111 C ASP A 76 12.393 9.775 1.996 1.00 0.00 C ATOM 1112 O ASP A 76 12.155 8.739 1.376 1.00 0.00 O ATOM 1113 CB ASP A 76 12.617 8.452 4.186 1.00 0.00 C ATOM 1114 CG ASP A 76 13.181 7.191 3.534 1.00 0.00 C ATOM 1115 OD1 ASP A 76 14.389 7.202 3.200 1.00 0.00 O ATOM 1116 OD2 ASP A 76 12.400 6.225 3.376 1.00 0.00 O ATOM 0 H ASP A 76 13.502 11.408 4.520 1.00 0.00 H new ATOM 0 HA ASP A 76 14.062 9.701 3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.993 8.530 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.532 8.370 4.252 1.00 0.00 H new ATOM 1121 N ILE A 77 12.154 10.986 1.481 1.00 0.00 N ATOM 1122 CA ILE A 77 11.663 11.188 0.125 1.00 0.00 C ATOM 1123 C ILE A 77 12.848 11.506 -0.790 1.00 0.00 C ATOM 1124 O ILE A 77 13.599 12.444 -0.514 1.00 0.00 O ATOM 1125 CB ILE A 77 10.617 12.316 0.106 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.440 11.955 1.022 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.120 12.542 -1.322 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.394 13.069 1.085 1.00 0.00 C ATOM 0 H ILE A 77 12.298 11.853 1.999 1.00 0.00 H new ATOM 0 HA ILE A 77 11.176 10.283 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 77 11.078 13.234 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.971 11.038 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.812 11.751 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.380 13.342 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.959 12.820 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.666 11.625 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.581 12.768 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.855 13.979 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.000 13.255 0.086 1.00 0.00 H new ATOM 1140 N PRO A 78 13.034 10.749 -1.880 1.00 0.00 N ATOM 1141 CA PRO A 78 14.123 10.948 -2.821 1.00 0.00 C ATOM 1142 C PRO A 78 13.846 12.137 -3.740 1.00 0.00 C ATOM 1143 O PRO A 78 12.697 12.533 -3.935 1.00 0.00 O ATOM 1144 CB PRO A 78 14.201 9.644 -3.615 1.00 0.00 C ATOM 1145 CG PRO A 78 12.740 9.200 -3.652 1.00 0.00 C ATOM 1146 CD PRO A 78 12.218 9.622 -2.282 1.00 0.00 C ATOM 0 HA PRO A 78 15.062 11.174 -2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.604 9.800 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.838 8.907 -3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.191 9.685 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.649 8.125 -3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.165 9.900 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.298 8.805 -1.564 1.00 0.00 H new ATOM 1154 N PHE A 79 14.914 12.702 -4.307 1.00 0.00 N ATOM 1155 CA PHE A 79 14.810 13.815 -5.236 1.00 0.00 C ATOM 1156 C PHE A 79 15.942 13.788 -6.259 1.00 0.00 C ATOM 1157 O PHE A 79 16.913 13.048 -6.102 1.00 0.00 O ATOM 1158 CB PHE A 79 14.816 15.137 -4.468 1.00 0.00 C ATOM 1159 CG PHE A 79 16.106 15.422 -3.732 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.170 16.064 -4.385 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.235 15.049 -2.388 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.359 16.335 -3.692 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.421 15.323 -1.697 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.481 15.966 -2.345 1.00 0.00 C ATOM 0 H PHE A 79 15.871 12.397 -4.131 1.00 0.00 H new ATOM 0 HA PHE A 79 13.869 13.721 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.622 15.951 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.995 15.131 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.073 16.350 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.420 14.550 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.179 16.827 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.518 15.037 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.393 16.178 -1.808 1.00 0.00 H new ATOM 1174 N VAL A 80 15.807 14.602 -7.310 1.00 0.00 N ATOM 1175 CA VAL A 80 16.801 14.728 -8.367 1.00 0.00 C ATOM 1176 C VAL A 80 16.945 16.204 -8.735 1.00 0.00 C ATOM 1177 O VAL A 80 15.952 16.931 -8.763 1.00 0.00 O ATOM 1178 CB VAL A 80 16.376 13.896 -9.587 1.00 0.00 C ATOM 1179 CG1 VAL A 80 17.397 14.017 -10.717 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.244 12.416 -9.218 1.00 0.00 C ATOM 0 H VAL A 80 14.991 15.198 -7.448 1.00 0.00 H new ATOM 0 HA VAL A 80 17.764 14.352 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 80 15.413 14.284 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.071 13.418 -11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.483 15.061 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.367 13.659 -10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.942 11.847 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.203 12.044 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.493 12.301 -8.437 1.00 0.00 H new ATOM 1190 N PHE A 81 18.174 16.647 -9.019 1.00 0.00 N ATOM 1191 CA PHE A 81 18.425 18.020 -9.443 1.00 0.00 C ATOM 1192 C PHE A 81 18.169 18.162 -10.940 1.00 0.00 C ATOM 1193 O PHE A 81 18.379 17.215 -11.697 1.00 0.00 O ATOM 1194 CB PHE A 81 19.868 18.425 -9.129 1.00 0.00 C ATOM 1195 CG PHE A 81 20.227 18.546 -7.664 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.411 17.969 -7.181 1.00 0.00 C ATOM 1197 CD2 PHE A 81 19.392 19.257 -6.788 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.771 18.108 -5.831 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.740 19.379 -5.435 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.929 18.806 -4.959 1.00 0.00 C ATOM 0 H PHE A 81 19.012 16.068 -8.961 1.00 0.00 H new ATOM 0 HA PHE A 81 17.748 18.676 -8.897 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.535 17.694 -9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 81 20.067 19.383 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 81 22.050 17.414 -7.852 1.00 0.00 H new ATOM 0 HD2 PHE A 81 18.483 19.709 -7.155 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.693 17.678 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 81 19.091 19.915 -4.758 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.195 18.904 -3.917 1.00 0.00 H new ATOM 1210 N ALA A 82 17.721 19.343 -11.373 1.00 0.00 N ATOM 1211 CA ALA A 82 17.513 19.632 -12.781 1.00 0.00 C ATOM 1212 C ALA A 82 18.072 21.014 -13.112 1.00 0.00 C ATOM 1213 O ALA A 82 17.768 21.986 -12.423 1.00 0.00 O ATOM 1214 CB ALA A 82 16.022 19.545 -13.112 1.00 0.00 C ATOM 0 H ALA A 82 17.495 20.120 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 82 18.040 18.897 -13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.871 19.763 -14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.659 18.541 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.473 20.269 -12.510 1.00 0.00 H new ATOM 1220 N THR A 83 18.889 21.099 -14.163 1.00 0.00 N ATOM 1221 CA THR A 83 19.526 22.348 -14.564 1.00 0.00 C ATOM 1222 C THR A 83 19.990 22.274 -16.016 1.00 0.00 C ATOM 1223 O THR A 83 19.982 21.198 -16.620 1.00 0.00 O ATOM 1224 CB THR A 83 20.705 22.628 -13.627 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.252 23.896 -13.907 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.802 21.570 -13.753 1.00 0.00 C ATOM 0 H THR A 83 19.125 20.304 -14.757 1.00 0.00 H new ATOM 0 HA THR A 83 18.807 23.164 -14.491 1.00 0.00 H new ATOM 0 HB THR A 83 20.321 22.599 -12.607 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.004 24.068 -13.303 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.618 21.809 -13.071 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.394 20.591 -13.502 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.177 21.555 -14.776 1.00 0.00 H new ATOM 1234 N GLY A 84 20.399 23.411 -16.582 1.00 0.00 N ATOM 1235 CA GLY A 84 20.926 23.471 -17.936 1.00 0.00 C ATOM 1236 C GLY A 84 22.388 23.028 -17.969 1.00 0.00 C ATOM 1237 O GLY A 84 22.982 22.755 -16.926 1.00 0.00 O ATOM 0 H GLY A 84 20.372 24.314 -16.109 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.333 22.832 -18.591 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.841 24.488 -18.320 1.00 0.00 H new ATOM 1241 N GLY A 85 22.973 22.954 -19.166 1.00 0.00 N ATOM 1242 CA GLY A 85 24.358 22.533 -19.315 1.00 0.00 C ATOM 1243 C GLY A 85 25.311 23.619 -18.826 1.00 0.00 C ATOM 1244 O GLY A 85 25.544 24.601 -19.531 1.00 0.00 O ATOM 0 H GLY A 85 22.505 23.181 -20.043 1.00 0.00 H new ATOM 0 HA2 GLY A 85 24.526 21.615 -18.752 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.563 22.307 -20.361 1.00 0.00 H new ATOM 1248 N SER A 86 25.860 23.437 -17.623 1.00 0.00 N ATOM 1249 CA SER A 86 26.806 24.364 -17.018 1.00 0.00 C ATOM 1250 C SER A 86 27.757 23.608 -16.095 1.00 0.00 C ATOM 1251 O SER A 86 27.372 22.616 -15.474 1.00 0.00 O ATOM 1252 CB SER A 86 26.058 25.430 -16.213 1.00 0.00 C ATOM 1253 OG SER A 86 25.176 26.159 -17.042 1.00 0.00 O ATOM 0 H SER A 86 25.654 22.628 -17.037 1.00 0.00 H new ATOM 0 HA SER A 86 27.377 24.847 -17.811 1.00 0.00 H new ATOM 0 HB2 SER A 86 25.498 24.957 -15.406 1.00 0.00 H new ATOM 0 HB3 SER A 86 26.773 26.109 -15.749 1.00 0.00 H new ATOM 0 HG SER A 86 24.707 26.834 -16.508 1.00 0.00 H new ATOM 1259 N ASP A 87 29.005 24.079 -16.002 1.00 0.00 N ATOM 1260 CA ASP A 87 30.032 23.447 -15.180 1.00 0.00 C ATOM 1261 C ASP A 87 30.320 24.238 -13.900 1.00 0.00 C ATOM 1262 O ASP A 87 31.130 23.801 -13.082 1.00 0.00 O ATOM 1263 CB ASP A 87 31.301 23.268 -16.010 1.00 0.00 C ATOM 1264 CG ASP A 87 31.052 22.386 -17.230 1.00 0.00 C ATOM 1265 OD1 ASP A 87 30.955 22.949 -18.344 1.00 0.00 O ATOM 1266 OD2 ASP A 87 30.961 21.154 -17.039 1.00 0.00 O ATOM 0 H ASP A 87 29.328 24.910 -16.497 1.00 0.00 H new ATOM 0 HA ASP A 87 29.662 22.472 -14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 87 31.666 24.243 -16.333 1.00 0.00 H new ATOM 0 HB3 ASP A 87 32.081 22.824 -15.392 1.00 0.00 H new ATOM 1271 N ASP A 88 29.671 25.394 -13.721 1.00 0.00 N ATOM 1272 CA ASP A 88 29.933 26.269 -12.584 1.00 0.00 C ATOM 1273 C ASP A 88 28.648 26.699 -11.874 1.00 0.00 C ATOM 1274 O ASP A 88 28.698 27.442 -10.895 1.00 0.00 O ATOM 1275 CB ASP A 88 30.738 27.475 -13.074 1.00 0.00 C ATOM 1276 CG ASP A 88 31.218 28.355 -11.920 1.00 0.00 C ATOM 1277 OD1 ASP A 88 30.881 29.562 -11.940 1.00 0.00 O ATOM 1278 OD2 ASP A 88 31.917 27.818 -11.031 1.00 0.00 O ATOM 0 H ASP A 88 28.955 25.743 -14.358 1.00 0.00 H new ATOM 0 HA ASP A 88 30.511 25.720 -11.840 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.598 27.128 -13.646 1.00 0.00 H new ATOM 0 HB3 ASP A 88 30.124 28.069 -13.751 1.00 0.00 H new ATOM 1283 N SER A 89 27.487 26.238 -12.354 1.00 0.00 N ATOM 1284 CA SER A 89 26.200 26.574 -11.748 1.00 0.00 C ATOM 1285 C SER A 89 25.812 25.566 -10.667 1.00 0.00 C ATOM 1286 O SER A 89 24.707 25.632 -10.132 1.00 0.00 O ATOM 1287 CB SER A 89 25.119 26.655 -12.825 1.00 0.00 C ATOM 1288 OG SER A 89 25.498 27.599 -13.804 1.00 0.00 O ATOM 0 H SER A 89 27.416 25.626 -13.167 1.00 0.00 H new ATOM 0 HA SER A 89 26.294 27.548 -11.268 1.00 0.00 H new ATOM 0 HB2 SER A 89 24.975 25.677 -13.284 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.167 26.941 -12.378 1.00 0.00 H new ATOM 0 HG SER A 89 24.805 27.649 -14.495 1.00 0.00 H new ATOM 1294 N VAL A 90 26.714 24.633 -10.351 1.00 0.00 N ATOM 1295 CA VAL A 90 26.483 23.585 -9.367 1.00 0.00 C ATOM 1296 C VAL A 90 27.742 23.305 -8.558 1.00 0.00 C ATOM 1297 O VAL A 90 28.855 23.546 -9.023 1.00 0.00 O ATOM 1298 CB VAL A 90 26.008 22.294 -10.049 1.00 0.00 C ATOM 1299 CG1 VAL A 90 24.562 22.421 -10.528 1.00 0.00 C ATOM 1300 CG2 VAL A 90 26.907 21.912 -11.226 1.00 0.00 C ATOM 0 H VAL A 90 27.638 24.588 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 90 25.705 23.936 -8.689 1.00 0.00 H new ATOM 0 HB VAL A 90 26.065 21.504 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.254 21.491 -11.007 1.00 0.00 H new ATOM 0 HG12 VAL A 90 23.913 22.623 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.486 23.240 -11.244 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.538 20.993 -11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.899 22.713 -11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.926 21.757 -10.870 1.00 0.00 H new ATOM 1310 N ASP A 91 27.555 22.795 -7.337 1.00 0.00 N ATOM 1311 CA ASP A 91 28.640 22.432 -6.439 1.00 0.00 C ATOM 1312 C ASP A 91 28.841 20.918 -6.425 1.00 0.00 C ATOM 1313 O ASP A 91 28.084 20.171 -7.044 1.00 0.00 O ATOM 1314 CB ASP A 91 28.331 22.965 -5.039 1.00 0.00 C ATOM 1315 CG ASP A 91 28.223 24.488 -5.033 1.00 0.00 C ATOM 1316 OD1 ASP A 91 29.291 25.135 -5.097 1.00 0.00 O ATOM 1317 OD2 ASP A 91 27.079 24.989 -4.963 1.00 0.00 O ATOM 0 H ASP A 91 26.629 22.623 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 91 29.570 22.880 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.397 22.531 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.114 22.652 -4.348 1.00 0.00 H new ATOM 1322 N SER A 92 29.868 20.448 -5.711 1.00 0.00 N ATOM 1323 CA SER A 92 30.194 19.030 -5.667 1.00 0.00 C ATOM 1324 C SER A 92 29.097 18.199 -5.003 1.00 0.00 C ATOM 1325 O SER A 92 29.128 16.970 -5.082 1.00 0.00 O ATOM 1326 CB SER A 92 31.535 18.841 -4.959 1.00 0.00 C ATOM 1327 OG SER A 92 32.533 19.549 -5.662 1.00 0.00 O ATOM 0 H SER A 92 30.488 21.037 -5.155 1.00 0.00 H new ATOM 0 HA SER A 92 30.270 18.668 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.472 19.201 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.789 17.782 -4.911 1.00 0.00 H new ATOM 0 HG SER A 92 33.395 19.433 -5.211 1.00 0.00 H new ATOM 1333 N ARG A 93 28.120 18.842 -4.351 1.00 0.00 N ATOM 1334 CA ARG A 93 26.994 18.133 -3.755 1.00 0.00 C ATOM 1335 C ARG A 93 26.014 17.700 -4.846 1.00 0.00 C ATOM 1336 O ARG A 93 25.263 16.744 -4.667 1.00 0.00 O ATOM 1337 CB ARG A 93 26.320 19.010 -2.700 1.00 0.00 C ATOM 1338 CG ARG A 93 27.360 19.589 -1.737 1.00 0.00 C ATOM 1339 CD ARG A 93 26.684 20.244 -0.535 1.00 0.00 C ATOM 1340 NE ARG A 93 26.193 19.233 0.409 1.00 0.00 N ATOM 1341 CZ ARG A 93 25.007 19.263 1.029 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.136 20.242 0.812 1.00 0.00 N ATOM 1343 NH2 ARG A 93 24.692 18.287 1.877 1.00 0.00 N ATOM 0 H ARG A 93 28.092 19.854 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 93 27.352 17.233 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.776 19.820 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.589 18.423 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 93 28.027 18.797 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 93 27.975 20.323 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 93 27.390 20.904 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 93 25.854 20.864 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 93 26.806 18.443 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.365 20.993 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.238 20.243 1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.351 17.528 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.791 18.298 2.356 1.00 0.00 H new ATOM 1357 N PHE A 94 26.030 18.404 -5.979 1.00 0.00 N ATOM 1358 CA PHE A 94 25.236 18.055 -7.144 1.00 0.00 C ATOM 1359 C PHE A 94 26.014 17.055 -7.997 1.00 0.00 C ATOM 1360 O PHE A 94 25.426 16.347 -8.809 1.00 0.00 O ATOM 1361 CB PHE A 94 24.942 19.309 -7.962 1.00 0.00 C ATOM 1362 CG PHE A 94 24.263 20.438 -7.213 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.929 20.763 -7.494 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.968 21.171 -6.249 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.298 21.802 -6.799 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.340 22.216 -5.560 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.003 22.531 -5.832 1.00 0.00 C ATOM 0 H PHE A 94 26.602 19.239 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 94 24.293 17.610 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.881 19.682 -8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.314 19.030 -8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.387 20.211 -8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.999 20.929 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.266 22.042 -7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 94 24.887 22.779 -4.819 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.516 23.334 -5.298 1.00 0.00 H new ATOM 1377 N ARG A 95 27.337 16.999 -7.810 1.00 0.00 N ATOM 1378 CA ARG A 95 28.190 16.038 -8.497 1.00 0.00 C ATOM 1379 C ARG A 95 28.199 14.696 -7.760 1.00 0.00 C ATOM 1380 O ARG A 95 28.662 13.697 -8.308 1.00 0.00 O ATOM 1381 CB ARG A 95 29.603 16.609 -8.626 1.00 0.00 C ATOM 1382 CG ARG A 95 29.588 17.959 -9.345 1.00 0.00 C ATOM 1383 CD ARG A 95 31.016 18.490 -9.486 1.00 0.00 C ATOM 1384 NE ARG A 95 31.023 19.795 -10.161 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.457 20.940 -9.616 1.00 0.00 C ATOM 1386 NH1 ARG A 95 31.926 20.984 -8.370 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.422 22.059 -10.328 1.00 0.00 N ATOM 0 H ARG A 95 27.841 17.620 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 95 27.794 15.858 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 95 30.043 16.726 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.233 15.909 -9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.132 17.852 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.979 18.671 -8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.473 18.583 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.619 17.780 -10.052 1.00 0.00 H new ATOM 0 HE ARG A 95 30.671 19.832 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 95 31.961 20.134 -7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 95 32.250 21.868 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.066 22.044 -11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.751 22.934 -9.919 1.00 0.00 H new ATOM 1401 N ASP A 96 27.687 14.678 -6.526 1.00 0.00 N ATOM 1402 CA ASP A 96 27.581 13.467 -5.719 1.00 0.00 C ATOM 1403 C ASP A 96 26.138 12.948 -5.666 1.00 0.00 C ATOM 1404 O ASP A 96 25.910 11.795 -5.303 1.00 0.00 O ATOM 1405 CB ASP A 96 28.114 13.767 -4.318 1.00 0.00 C ATOM 1406 CG ASP A 96 28.128 12.517 -3.440 1.00 0.00 C ATOM 1407 OD1 ASP A 96 28.913 11.596 -3.761 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.358 12.491 -2.453 1.00 0.00 O ATOM 0 H ASP A 96 27.333 15.512 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 96 28.177 12.677 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 96 29.123 14.172 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.497 14.534 -3.850 1.00 0.00 H new ATOM 1413 N ARG A 97 25.165 13.794 -6.029 1.00 0.00 N ATOM 1414 CA ARG A 97 23.755 13.421 -6.084 1.00 0.00 C ATOM 1415 C ARG A 97 23.281 13.343 -7.534 1.00 0.00 C ATOM 1416 O ARG A 97 23.948 13.873 -8.425 1.00 0.00 O ATOM 1417 CB ARG A 97 22.933 14.427 -5.278 1.00 0.00 C ATOM 1418 CG ARG A 97 23.234 14.282 -3.785 1.00 0.00 C ATOM 1419 CD ARG A 97 22.445 15.321 -2.993 1.00 0.00 C ATOM 1420 NE ARG A 97 22.616 15.126 -1.550 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.488 16.092 -0.636 1.00 0.00 C ATOM 1422 NH1 ARG A 97 22.215 17.343 -0.999 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.631 15.809 0.655 1.00 0.00 N ATOM 0 H ARG A 97 25.341 14.763 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 97 23.620 12.433 -5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 97 23.163 15.441 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.870 14.267 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.972 13.279 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 97 24.302 14.409 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.776 16.322 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.388 15.253 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 97 22.849 14.189 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.101 17.574 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.120 18.070 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.838 14.854 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.533 16.547 1.353 1.00 0.00 H new ATOM 1437 N PRO A 98 22.138 12.694 -7.799 1.00 0.00 N ATOM 1438 CA PRO A 98 21.572 12.575 -9.132 1.00 0.00 C ATOM 1439 C PRO A 98 21.326 13.934 -9.789 1.00 0.00 C ATOM 1440 O PRO A 98 21.026 14.917 -9.114 1.00 0.00 O ATOM 1441 CB PRO A 98 20.262 11.807 -8.952 1.00 0.00 C ATOM 1442 CG PRO A 98 20.484 11.016 -7.667 1.00 0.00 C ATOM 1443 CD PRO A 98 21.314 11.990 -6.835 1.00 0.00 C ATOM 0 HA PRO A 98 22.263 12.060 -9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.410 12.482 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 98 20.063 11.150 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.544 10.760 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.014 10.081 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.677 12.680 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.925 11.463 -6.103 1.00 0.00 H new ATOM 1451 N VAL A 99 21.452 13.975 -11.119 1.00 0.00 N ATOM 1452 CA VAL A 99 21.272 15.186 -11.914 1.00 0.00 C ATOM 1453 C VAL A 99 20.533 14.865 -13.208 1.00 0.00 C ATOM 1454 O VAL A 99 20.578 13.736 -13.697 1.00 0.00 O ATOM 1455 CB VAL A 99 22.614 15.856 -12.231 1.00 0.00 C ATOM 1456 CG1 VAL A 99 23.242 16.421 -10.960 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.589 14.877 -12.887 1.00 0.00 C ATOM 0 H VAL A 99 21.685 13.154 -11.678 1.00 0.00 H new ATOM 0 HA VAL A 99 20.678 15.883 -11.323 1.00 0.00 H new ATOM 0 HB VAL A 99 22.415 16.667 -12.932 1.00 0.00 H new ATOM 0 HG11 VAL A 99 24.194 16.893 -11.203 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.572 17.160 -10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 99 23.409 15.614 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.529 15.386 -13.098 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.773 14.040 -12.213 1.00 0.00 H new ATOM 0 HG23 VAL A 99 23.161 14.506 -13.818 1.00 0.00 H new ATOM 1467 N LEU A 100 19.854 15.871 -13.762 1.00 0.00 N ATOM 1468 CA LEU A 100 19.085 15.747 -14.990 1.00 0.00 C ATOM 1469 C LEU A 100 19.159 17.057 -15.774 1.00 0.00 C ATOM 1470 O LEU A 100 19.364 18.123 -15.190 1.00 0.00 O ATOM 1471 CB LEU A 100 17.638 15.404 -14.613 1.00 0.00 C ATOM 1472 CG LEU A 100 16.734 15.152 -15.824 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.206 13.937 -16.622 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.314 14.903 -15.327 1.00 0.00 C ATOM 0 H LEU A 100 19.826 16.808 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 100 19.487 14.957 -15.624 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.637 14.518 -13.978 1.00 0.00 H new ATOM 0 HB3 LEU A 100 17.222 16.220 -14.022 1.00 0.00 H new ATOM 0 HG LEU A 100 16.769 16.024 -16.477 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.545 13.783 -17.475 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.223 14.107 -16.976 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.187 13.053 -15.984 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.657 14.722 -16.178 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.306 14.033 -14.670 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.963 15.776 -14.777 1.00 0.00 H new ATOM 1486 N GLN A 101 18.990 16.986 -17.095 1.00 0.00 N ATOM 1487 CA GLN A 101 18.985 18.166 -17.945 1.00 0.00 C ATOM 1488 C GLN A 101 17.621 18.846 -17.880 1.00 0.00 C ATOM 1489 O GLN A 101 16.596 18.179 -17.741 1.00 0.00 O ATOM 1490 CB GLN A 101 19.333 17.770 -19.381 1.00 0.00 C ATOM 1491 CG GLN A 101 20.765 17.232 -19.478 1.00 0.00 C ATOM 1492 CD GLN A 101 21.815 18.309 -19.222 1.00 0.00 C ATOM 1493 OE1 GLN A 101 21.513 19.499 -19.164 1.00 0.00 O ATOM 1494 NE2 GLN A 101 23.073 17.900 -19.068 1.00 0.00 N ATOM 0 H GLN A 101 18.854 16.110 -17.599 1.00 0.00 H new ATOM 0 HA GLN A 101 19.736 18.873 -17.592 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.633 17.012 -19.731 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.222 18.634 -20.036 1.00 0.00 H new ATOM 0 HG2 GLN A 101 20.895 16.424 -18.758 1.00 0.00 H new ATOM 0 HG3 GLN A 101 20.922 16.805 -20.468 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.296 16.906 -19.121 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.813 18.581 -18.897 1.00 0.00 H new ATOM 1503 N LYS A 102 17.598 20.179 -17.976 1.00 0.00 N ATOM 1504 CA LYS A 102 16.355 20.935 -17.905 1.00 0.00 C ATOM 1505 C LYS A 102 15.488 20.783 -19.161 1.00 0.00 C ATOM 1506 O LYS A 102 14.278 20.617 -19.014 1.00 0.00 O ATOM 1507 CB LYS A 102 16.664 22.399 -17.579 1.00 0.00 C ATOM 1508 CG LYS A 102 15.376 23.220 -17.592 1.00 0.00 C ATOM 1509 CD LYS A 102 15.579 24.593 -16.954 1.00 0.00 C ATOM 1510 CE LYS A 102 15.702 24.445 -15.436 1.00 0.00 C ATOM 1511 NZ LYS A 102 15.818 25.761 -14.779 1.00 0.00 N ATOM 0 H LYS A 102 18.431 20.753 -18.103 1.00 0.00 H new ATOM 0 HA LYS A 102 15.752 20.519 -17.098 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.140 22.470 -16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.369 22.801 -18.307 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.032 23.342 -18.619 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.595 22.681 -17.056 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.476 25.062 -17.357 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.741 25.245 -17.198 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.831 23.917 -15.048 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.575 23.838 -15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.985 25.627 -13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.613 26.287 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.938 26.297 -14.918 1.00 0.00 H new ATOM 1525 N PRO A 103 16.029 20.830 -20.390 1.00 0.00 N ATOM 1526 CA PRO A 103 15.229 20.588 -21.577 1.00 0.00 C ATOM 1527 C PRO A 103 14.826 19.117 -21.636 1.00 0.00 C ATOM 1528 O PRO A 103 15.617 18.245 -21.280 1.00 0.00 O ATOM 1529 CB PRO A 103 16.104 20.998 -22.759 1.00 0.00 C ATOM 1530 CG PRO A 103 17.515 20.751 -22.231 1.00 0.00 C ATOM 1531 CD PRO A 103 17.406 21.112 -20.754 1.00 0.00 C ATOM 0 HA PRO A 103 14.300 21.159 -21.582 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.893 20.401 -23.646 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.951 22.042 -23.034 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.821 19.714 -22.370 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.250 21.371 -22.743 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.100 20.524 -20.153 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.650 22.161 -20.587 1.00 0.00 H new ATOM 1539 N PHE A 104 13.599 18.840 -22.087 1.00 0.00 N ATOM 1540 CA PHE A 104 13.050 17.490 -22.115 1.00 0.00 C ATOM 1541 C PHE A 104 12.746 17.027 -23.536 1.00 0.00 C ATOM 1542 O PHE A 104 12.430 17.826 -24.416 1.00 0.00 O ATOM 1543 CB PHE A 104 11.783 17.412 -21.256 1.00 0.00 C ATOM 1544 CG PHE A 104 11.993 16.984 -19.819 1.00 0.00 C ATOM 1545 CD1 PHE A 104 13.092 17.451 -19.081 1.00 0.00 C ATOM 1546 CD2 PHE A 104 11.074 16.110 -19.216 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.279 17.037 -17.758 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.264 15.696 -17.891 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.367 16.157 -17.161 1.00 0.00 C ATOM 0 H PHE A 104 12.960 19.551 -22.443 1.00 0.00 H new ATOM 0 HA PHE A 104 13.808 16.823 -21.704 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.303 18.391 -21.258 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.089 16.715 -21.726 1.00 0.00 H new ATOM 0 HD1 PHE A 104 13.796 18.132 -19.536 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.220 15.757 -19.774 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.128 17.396 -17.196 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.558 15.020 -17.431 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.514 15.835 -16.141 1.00 0.00 H new ATOM 1559 N THR A 105 12.851 15.714 -23.735 1.00 0.00 N ATOM 1560 CA THR A 105 12.510 15.026 -24.973 1.00 0.00 C ATOM 1561 C THR A 105 11.901 13.679 -24.597 1.00 0.00 C ATOM 1562 O THR A 105 12.005 13.258 -23.446 1.00 0.00 O ATOM 1563 CB THR A 105 13.751 14.821 -25.850 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.709 14.056 -25.152 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.387 16.153 -26.250 1.00 0.00 C ATOM 0 H THR A 105 13.188 15.080 -23.011 1.00 0.00 H new ATOM 0 HA THR A 105 11.803 15.624 -25.548 1.00 0.00 H new ATOM 0 HB THR A 105 13.431 14.302 -26.753 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.499 13.926 -25.717 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.263 15.966 -26.871 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.665 16.747 -26.811 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.686 16.697 -25.354 1.00 0.00 H new ATOM 1573 N MET A 106 11.261 12.986 -25.544 1.00 0.00 N ATOM 1574 CA MET A 106 10.612 11.718 -25.240 1.00 0.00 C ATOM 1575 C MET A 106 11.642 10.655 -24.849 1.00 0.00 C ATOM 1576 O MET A 106 11.327 9.743 -24.089 1.00 0.00 O ATOM 1577 CB MET A 106 9.783 11.284 -26.447 1.00 0.00 C ATOM 1578 CG MET A 106 8.929 10.059 -26.111 1.00 0.00 C ATOM 1579 SD MET A 106 7.783 9.570 -27.427 1.00 0.00 S ATOM 1580 CE MET A 106 6.664 10.996 -27.396 1.00 0.00 C ATOM 0 H MET A 106 11.182 13.282 -26.517 1.00 0.00 H new ATOM 0 HA MET A 106 9.949 11.842 -24.384 1.00 0.00 H new ATOM 0 HB2 MET A 106 9.140 12.104 -26.765 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.443 11.054 -27.283 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.588 9.220 -25.888 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.358 10.265 -25.205 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.725 10.732 -27.883 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.469 11.283 -26.363 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.124 11.831 -27.924 1.00 0.00 H new ATOM 1590 N ASP A 107 12.874 10.767 -25.358 1.00 0.00 N ATOM 1591 CA ASP A 107 13.946 9.853 -24.993 1.00 0.00 C ATOM 1592 C ASP A 107 14.621 10.304 -23.696 1.00 0.00 C ATOM 1593 O ASP A 107 15.105 9.475 -22.927 1.00 0.00 O ATOM 1594 CB ASP A 107 14.956 9.803 -26.139 1.00 0.00 C ATOM 1595 CG ASP A 107 16.121 8.872 -25.809 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.902 7.641 -25.832 1.00 0.00 O ATOM 1597 OD2 ASP A 107 17.225 9.400 -25.537 1.00 0.00 O ATOM 0 H ASP A 107 13.148 11.487 -26.026 1.00 0.00 H new ATOM 0 HA ASP A 107 13.537 8.857 -24.822 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.461 9.462 -27.049 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.334 10.806 -26.338 1.00 0.00 H new ATOM 1602 N GLY A 108 14.660 11.617 -23.451 1.00 0.00 N ATOM 1603 CA GLY A 108 15.311 12.171 -22.276 1.00 0.00 C ATOM 1604 C GLY A 108 14.473 11.988 -21.015 1.00 0.00 C ATOM 1605 O GLY A 108 15.025 11.962 -19.916 1.00 0.00 O ATOM 0 H GLY A 108 14.241 12.317 -24.063 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.280 11.691 -22.139 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.500 13.233 -22.434 1.00 0.00 H new ATOM 1609 N VAL A 109 13.150 11.852 -21.151 1.00 0.00 N ATOM 1610 CA VAL A 109 12.281 11.661 -19.999 1.00 0.00 C ATOM 1611 C VAL A 109 12.186 10.183 -19.625 1.00 0.00 C ATOM 1612 O VAL A 109 11.955 9.858 -18.462 1.00 0.00 O ATOM 1613 CB VAL A 109 10.906 12.280 -20.261 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.143 11.506 -21.333 1.00 0.00 C ATOM 1615 CG2 VAL A 109 10.089 12.297 -18.968 1.00 0.00 C ATOM 0 H VAL A 109 12.664 11.871 -22.048 1.00 0.00 H new ATOM 0 HA VAL A 109 12.715 12.177 -19.142 1.00 0.00 H new ATOM 0 HB VAL A 109 11.059 13.299 -20.617 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.171 11.971 -21.495 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.711 11.518 -22.263 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.002 10.476 -21.007 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.111 12.739 -19.161 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.961 11.277 -18.605 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.612 12.887 -18.215 1.00 0.00 H new ATOM 1625 N ALA A 110 12.363 9.278 -20.593 1.00 0.00 N ATOM 1626 CA ALA A 110 12.379 7.853 -20.293 1.00 0.00 C ATOM 1627 C ALA A 110 13.619 7.527 -19.460 1.00 0.00 C ATOM 1628 O ALA A 110 13.604 6.602 -18.650 1.00 0.00 O ATOM 1629 CB ALA A 110 12.373 7.071 -21.605 1.00 0.00 C ATOM 0 H ALA A 110 12.495 9.508 -21.578 1.00 0.00 H new ATOM 0 HA ALA A 110 11.497 7.572 -19.717 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.385 6.002 -21.392 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.475 7.318 -22.172 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.255 7.334 -22.189 1.00 0.00 H new ATOM 1635 N LYS A 111 14.693 8.294 -19.668 1.00 0.00 N ATOM 1636 CA LYS A 111 15.932 8.158 -18.915 1.00 0.00 C ATOM 1637 C LYS A 111 15.858 8.952 -17.610 1.00 0.00 C ATOM 1638 O LYS A 111 16.609 8.668 -16.679 1.00 0.00 O ATOM 1639 CB LYS A 111 17.094 8.627 -19.796 1.00 0.00 C ATOM 1640 CG LYS A 111 17.243 7.690 -20.996 1.00 0.00 C ATOM 1641 CD LYS A 111 18.242 8.257 -22.003 1.00 0.00 C ATOM 1642 CE LYS A 111 18.381 7.279 -23.168 1.00 0.00 C ATOM 1643 NZ LYS A 111 19.181 7.857 -24.261 1.00 0.00 N ATOM 0 H LYS A 111 14.722 9.032 -20.371 1.00 0.00 H new ATOM 0 HA LYS A 111 16.092 7.114 -18.644 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.915 9.646 -20.138 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.018 8.643 -19.218 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.577 6.709 -20.658 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.275 7.550 -21.476 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.903 9.228 -22.364 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.209 8.415 -21.526 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.850 6.359 -22.819 1.00 0.00 H new ATOM 0 HE3 LYS A 111 17.392 7.011 -23.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 19.571 7.092 -24.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 18.578 8.470 -24.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 19.960 8.418 -23.862 1.00 0.00 H new ATOM 1657 N ALA A 112 14.961 9.939 -17.534 1.00 0.00 N ATOM 1658 CA ALA A 112 14.764 10.711 -16.319 1.00 0.00 C ATOM 1659 C ALA A 112 13.992 9.887 -15.293 1.00 0.00 C ATOM 1660 O ALA A 112 14.255 9.983 -14.094 1.00 0.00 O ATOM 1661 CB ALA A 112 13.994 11.986 -16.654 1.00 0.00 C ATOM 0 H ALA A 112 14.359 10.218 -18.309 1.00 0.00 H new ATOM 0 HA ALA A 112 15.733 10.973 -15.894 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.843 12.569 -15.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.562 12.576 -17.374 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.026 11.725 -17.082 1.00 0.00 H new ATOM 1667 N LEU A 113 13.038 9.073 -15.753 1.00 0.00 N ATOM 1668 CA LEU A 113 12.278 8.214 -14.863 1.00 0.00 C ATOM 1669 C LEU A 113 13.102 6.986 -14.492 1.00 0.00 C ATOM 1670 O LEU A 113 12.894 6.409 -13.426 1.00 0.00 O ATOM 1671 CB LEU A 113 10.957 7.813 -15.527 1.00 0.00 C ATOM 1672 CG LEU A 113 10.021 9.007 -15.732 1.00 0.00 C ATOM 1673 CD1 LEU A 113 8.756 8.533 -16.441 1.00 0.00 C ATOM 1674 CD2 LEU A 113 9.622 9.640 -14.396 1.00 0.00 C ATOM 0 H LEU A 113 12.779 8.996 -16.737 1.00 0.00 H new ATOM 0 HA LEU A 113 12.048 8.757 -13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.164 7.348 -16.491 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.457 7.064 -14.912 1.00 0.00 H new ATOM 0 HG LEU A 113 10.547 9.752 -16.328 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.084 9.378 -16.591 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.020 8.104 -17.408 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.259 7.778 -15.832 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.957 10.485 -14.578 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.109 8.900 -13.782 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.515 9.986 -13.876 1.00 0.00 H new ATOM 1686 N ALA A 114 14.042 6.581 -15.350 1.00 0.00 N ATOM 1687 CA ALA A 114 14.935 5.481 -15.025 1.00 0.00 C ATOM 1688 C ALA A 114 15.926 5.910 -13.941 1.00 0.00 C ATOM 1689 O ALA A 114 16.411 5.069 -13.184 1.00 0.00 O ATOM 1690 CB ALA A 114 15.665 5.048 -16.297 1.00 0.00 C ATOM 0 H ALA A 114 14.199 6.999 -16.267 1.00 0.00 H new ATOM 0 HA ALA A 114 14.364 4.638 -14.637 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.339 4.223 -16.067 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.938 4.726 -17.042 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.240 5.887 -16.690 1.00 0.00 H new ATOM 1696 N ALA A 115 16.228 7.209 -13.862 1.00 0.00 N ATOM 1697 CA ALA A 115 17.092 7.756 -12.824 1.00 0.00 C ATOM 1698 C ALA A 115 16.302 8.132 -11.569 1.00 0.00 C ATOM 1699 O ALA A 115 16.893 8.304 -10.503 1.00 0.00 O ATOM 1700 CB ALA A 115 17.831 8.965 -13.390 1.00 0.00 C ATOM 0 H ALA A 115 15.878 7.907 -14.518 1.00 0.00 H new ATOM 0 HA ALA A 115 17.811 6.994 -12.522 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.482 9.385 -12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.431 8.657 -14.246 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.109 9.718 -13.705 1.00 0.00 H new ATOM 1706 N LEU A 116 14.976 8.267 -11.681 1.00 0.00 N ATOM 1707 CA LEU A 116 14.130 8.655 -10.562 1.00 0.00 C ATOM 1708 C LEU A 116 13.605 7.435 -9.801 1.00 0.00 C ATOM 1709 O LEU A 116 13.482 7.483 -8.578 1.00 0.00 O ATOM 1710 CB LEU A 116 12.966 9.486 -11.114 1.00 0.00 C ATOM 1711 CG LEU A 116 12.038 10.029 -10.025 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.732 11.101 -9.184 1.00 0.00 C ATOM 1713 CD2 LEU A 116 10.806 10.639 -10.683 1.00 0.00 C ATOM 0 H LEU A 116 14.466 8.109 -12.550 1.00 0.00 H new ATOM 0 HA LEU A 116 14.715 9.241 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.366 10.321 -11.690 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.386 8.872 -11.803 1.00 0.00 H new ATOM 0 HG LEU A 116 11.760 9.204 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.045 11.465 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.613 10.674 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.033 11.929 -9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 116 10.138 11.029 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.111 11.450 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.286 9.875 -11.261 1.00 0.00 H new ATOM 1725 N LEU A 117 13.301 6.347 -10.517 1.00 0.00 N ATOM 1726 CA LEU A 117 12.720 5.150 -9.923 1.00 0.00 C ATOM 1727 C LEU A 117 13.790 4.132 -9.517 1.00 0.00 C ATOM 1728 O LEU A 117 13.452 3.038 -9.070 1.00 0.00 O ATOM 1729 CB LEU A 117 11.692 4.535 -10.883 1.00 0.00 C ATOM 1730 CG LEU A 117 10.311 5.207 -10.811 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.327 6.680 -11.214 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.356 4.471 -11.751 1.00 0.00 C ATOM 0 H LEU A 117 13.453 6.277 -11.523 1.00 0.00 H new ATOM 0 HA LEU A 117 12.209 5.441 -9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.070 4.607 -11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.584 3.474 -10.657 1.00 0.00 H new ATOM 0 HG LEU A 117 9.992 5.155 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.319 7.089 -11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.992 7.232 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.681 6.772 -12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.372 4.938 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.738 4.521 -12.770 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.276 3.428 -11.445 1.00 0.00 H new ATOM 1744 N VAL A 118 15.073 4.479 -9.669 1.00 0.00 N ATOM 1745 CA VAL A 118 16.179 3.594 -9.301 1.00 0.00 C ATOM 1746 C VAL A 118 17.236 4.367 -8.522 1.00 0.00 C ATOM 1747 O VAL A 118 17.807 5.314 -9.110 1.00 0.00 O ATOM 1748 CB VAL A 118 16.782 2.947 -10.552 1.00 0.00 C ATOM 1749 CG1 VAL A 118 17.880 1.957 -10.155 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.718 2.183 -11.340 1.00 0.00 C ATOM 0 H VAL A 118 15.371 5.377 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 118 15.797 2.800 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 118 17.193 3.746 -11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.302 1.503 -11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.665 2.483 -9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.456 1.179 -9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.172 1.733 -12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.293 1.400 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.930 2.870 -11.647 1.00 0.00 H new