USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 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 34 SER OG : rot -96:sc= 2 USER MOD Set 1.2: A 39 THR OG1 : rot 68:sc= -0.297 USER MOD Set 1.3: A 41 GLN : amide:sc= 0.66 K(o=2.4,f=-2.9!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.915 K(o=1.9,f=-7!) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 0.981 USER MOD Set 3.1: A 7 THR OG1 : rot 50:sc= 0.986 USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 3 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.78) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 11 CYS SG : rot -4:sc= 0.365 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 101:sc= 0.159 USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 2.35 (180deg=2.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.69! C(o=-1.7!,f=-3.1!) USER MOD Single : A 30 SER OG : rot 47:sc= 0.0811 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 83:sc= 1.09 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0925 USER MOD Single : A 54 THR OG1 : rot -166:sc= -0.986 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.343 1.218 -2.032 1.00 0.00 N ATOM 35 CA HIS A 3 -4.767 1.089 -1.765 1.00 0.00 C ATOM 36 C HIS A 3 -5.567 1.740 -2.883 1.00 0.00 C ATOM 37 O HIS A 3 -5.278 2.857 -3.306 1.00 0.00 O ATOM 38 CB HIS A 3 -5.190 1.697 -0.408 1.00 0.00 C ATOM 39 CG HIS A 3 -4.076 2.052 0.538 1.00 0.00 C ATOM 40 ND1 HIS A 3 -4.021 3.257 1.195 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.982 1.360 0.939 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.951 3.293 1.959 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.296 2.154 1.825 1.00 0.00 N ATOM 0 HA HIS A 3 -4.978 0.021 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.773 2.597 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.852 0.990 0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.701 0.367 0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.657 4.118 2.591 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.428 1.906 2.299 1.00 0.00 H new ATOM 52 N LEU A 4 -6.561 1.023 -3.362 1.00 0.00 N ATOM 53 CA LEU A 4 -7.437 1.515 -4.407 1.00 0.00 C ATOM 54 C LEU A 4 -8.646 2.184 -3.775 1.00 0.00 C ATOM 55 O LEU A 4 -8.988 1.898 -2.627 1.00 0.00 O ATOM 56 CB LEU A 4 -7.883 0.359 -5.307 1.00 0.00 C ATOM 57 CG LEU A 4 -8.062 0.703 -6.786 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.788 0.406 -7.557 1.00 0.00 C ATOM 59 CD2 LEU A 4 -9.236 -0.066 -7.372 1.00 0.00 C ATOM 0 H LEU A 4 -6.786 0.082 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.901 2.242 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.151 -0.444 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.827 -0.030 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.274 1.769 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.932 0.656 -8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.970 1.001 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.546 -0.653 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.350 0.190 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.054 -1.136 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.147 0.196 -6.834 1.00 0.00 H new ATOM 71 N LYS A 5 -9.278 3.077 -4.506 1.00 0.00 N ATOM 72 CA LYS A 5 -10.462 3.758 -4.009 1.00 0.00 C ATOM 73 C LYS A 5 -11.698 3.300 -4.766 1.00 0.00 C ATOM 74 O LYS A 5 -11.716 3.272 -5.998 1.00 0.00 O ATOM 75 CB LYS A 5 -10.303 5.271 -4.129 1.00 0.00 C ATOM 76 CG LYS A 5 -10.621 6.028 -2.848 1.00 0.00 C ATOM 77 CD LYS A 5 -12.107 5.985 -2.523 1.00 0.00 C ATOM 78 CE LYS A 5 -12.884 7.032 -3.304 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.725 7.874 -2.411 1.00 0.00 N ATOM 0 H LYS A 5 -8.995 3.351 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.583 3.504 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.279 5.496 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.954 5.633 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.055 5.598 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.300 7.065 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.501 4.995 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.251 6.147 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.188 7.667 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.517 6.540 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.240 8.576 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.406 7.272 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.118 8.364 -1.723 1.00 0.00 H new ATOM 93 N ILE A 6 -12.725 2.945 -4.022 1.00 0.00 N ATOM 94 CA ILE A 6 -13.959 2.448 -4.603 1.00 0.00 C ATOM 95 C ILE A 6 -14.982 3.571 -4.713 1.00 0.00 C ATOM 96 O ILE A 6 -15.333 4.209 -3.719 1.00 0.00 O ATOM 97 CB ILE A 6 -14.555 1.293 -3.768 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.520 0.180 -3.565 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.811 0.740 -4.431 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.969 -0.390 -4.857 1.00 0.00 C ATOM 0 H ILE A 6 -12.730 2.992 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.722 2.068 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.830 1.689 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.694 0.570 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.976 -0.626 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.214 -0.072 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.555 1.532 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.563 0.365 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.244 -1.171 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.784 -0.811 -5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.483 0.402 -5.426 1.00 0.00 H new ATOM 112 N THR A 7 -15.442 3.817 -5.925 1.00 0.00 N ATOM 113 CA THR A 7 -16.425 4.852 -6.176 1.00 0.00 C ATOM 114 C THR A 7 -17.544 4.311 -7.061 1.00 0.00 C ATOM 115 O THR A 7 -17.390 3.268 -7.703 1.00 0.00 O ATOM 116 CB THR A 7 -15.777 6.086 -6.839 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.414 5.799 -7.185 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.827 7.286 -5.904 1.00 0.00 C ATOM 0 H THR A 7 -15.147 3.308 -6.758 1.00 0.00 H new ATOM 0 HA THR A 7 -16.843 5.160 -5.218 1.00 0.00 H new ATOM 0 HB THR A 7 -16.337 6.324 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.373 4.955 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.365 8.145 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.865 7.518 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.287 7.055 -4.986 1.00 0.00 H new ATOM 126 N GLY A 8 -18.668 5.006 -7.083 1.00 0.00 N ATOM 127 CA GLY A 8 -19.800 4.555 -7.863 1.00 0.00 C ATOM 128 C GLY A 8 -20.684 3.616 -7.074 1.00 0.00 C ATOM 129 O GLY A 8 -21.862 3.898 -6.852 1.00 0.00 O ATOM 0 H GLY A 8 -18.818 5.877 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.383 5.416 -8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.445 4.051 -8.762 1.00 0.00 H new ATOM 133 N MET A 9 -20.114 2.503 -6.634 1.00 0.00 N ATOM 134 CA MET A 9 -20.853 1.540 -5.828 1.00 0.00 C ATOM 135 C MET A 9 -20.876 1.986 -4.373 1.00 0.00 C ATOM 136 O MET A 9 -19.874 2.471 -3.850 1.00 0.00 O ATOM 137 CB MET A 9 -20.243 0.140 -5.933 1.00 0.00 C ATOM 138 CG MET A 9 -20.031 -0.342 -7.357 1.00 0.00 C ATOM 139 SD MET A 9 -19.997 -2.141 -7.474 1.00 0.00 S ATOM 140 CE MET A 9 -21.733 -2.493 -7.758 1.00 0.00 C ATOM 0 H MET A 9 -19.145 2.244 -6.821 1.00 0.00 H new ATOM 0 HA MET A 9 -21.873 1.495 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.285 0.133 -5.413 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.892 -0.566 -5.415 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.828 0.046 -7.992 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.094 0.062 -7.739 1.00 0.00 H new ATOM 0 HE1 MET A 9 -21.875 -3.570 -7.852 1.00 0.00 H new ATOM 0 HE2 MET A 9 -22.322 -2.121 -6.919 1.00 0.00 H new ATOM 0 HE3 MET A 9 -22.058 -2.002 -8.675 1.00 0.00 H new ATOM 150 N THR A 10 -22.012 1.802 -3.724 1.00 0.00 N ATOM 151 CA THR A 10 -22.216 2.274 -2.359 1.00 0.00 C ATOM 152 C THR A 10 -21.645 1.306 -1.320 1.00 0.00 C ATOM 153 O THR A 10 -22.185 1.186 -0.220 1.00 0.00 O ATOM 154 CB THR A 10 -23.712 2.471 -2.093 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.424 2.453 -3.341 1.00 0.00 O ATOM 156 CG2 THR A 10 -23.974 3.781 -1.367 1.00 0.00 C ATOM 0 H THR A 10 -22.819 1.323 -4.124 1.00 0.00 H new ATOM 0 HA THR A 10 -21.685 3.221 -2.264 1.00 0.00 H new ATOM 0 HB THR A 10 -24.060 1.658 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.382 2.577 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.044 3.893 -1.192 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.449 3.779 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.617 4.612 -1.976 1.00 0.00 H new ATOM 164 N CYS A 11 -20.530 0.666 -1.682 1.00 0.00 N ATOM 165 CA CYS A 11 -19.844 -0.361 -0.872 1.00 0.00 C ATOM 166 C CYS A 11 -20.787 -1.431 -0.291 1.00 0.00 C ATOM 167 O CYS A 11 -22.006 -1.357 -0.434 1.00 0.00 O ATOM 168 CB CYS A 11 -18.989 0.282 0.232 1.00 0.00 C ATOM 169 SG CYS A 11 -19.847 1.436 1.330 1.00 0.00 S ATOM 0 H CYS A 11 -20.062 0.848 -2.570 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.187 -0.890 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -18.558 -0.514 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -18.159 0.809 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.074 1.587 0.928 1.00 0.00 H new ATOM 175 N ASP A 12 -20.178 -2.455 0.324 1.00 0.00 N ATOM 176 CA ASP A 12 -20.889 -3.632 0.870 1.00 0.00 C ATOM 177 C ASP A 12 -21.696 -4.368 -0.199 1.00 0.00 C ATOM 178 O ASP A 12 -22.583 -3.795 -0.828 1.00 0.00 O ATOM 179 CB ASP A 12 -21.792 -3.255 2.046 1.00 0.00 C ATOM 180 CG ASP A 12 -21.884 -4.371 3.073 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.095 -5.334 2.990 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.750 -4.292 3.976 1.00 0.00 O ATOM 0 H ASP A 12 -19.168 -2.495 0.460 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.117 -4.310 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.408 -2.354 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.790 -3.019 1.676 1.00 0.00 H new ATOM 187 N SER A 13 -21.370 -5.648 -0.395 1.00 0.00 N ATOM 188 CA SER A 13 -21.928 -6.463 -1.484 1.00 0.00 C ATOM 189 C SER A 13 -21.343 -6.007 -2.821 1.00 0.00 C ATOM 190 O SER A 13 -20.870 -6.816 -3.617 1.00 0.00 O ATOM 191 CB SER A 13 -23.465 -6.408 -1.513 1.00 0.00 C ATOM 192 OG SER A 13 -24.018 -6.716 -0.242 1.00 0.00 O ATOM 0 H SER A 13 -20.710 -6.152 0.197 1.00 0.00 H new ATOM 0 HA SER A 13 -21.651 -7.502 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.789 -5.414 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.842 -7.111 -2.256 1.00 0.00 H new ATOM 0 HG SER A 13 -24.996 -6.671 -0.291 1.00 0.00 H new ATOM 198 N CYS A 14 -21.363 -4.699 -3.043 1.00 0.00 N ATOM 199 CA CYS A 14 -20.707 -4.084 -4.183 1.00 0.00 C ATOM 200 C CYS A 14 -19.226 -4.426 -4.181 1.00 0.00 C ATOM 201 O CYS A 14 -18.635 -4.734 -5.217 1.00 0.00 O ATOM 202 CB CYS A 14 -20.875 -2.566 -4.105 1.00 0.00 C ATOM 203 SG CYS A 14 -22.553 -2.022 -3.704 1.00 0.00 S ATOM 0 H CYS A 14 -21.838 -4.034 -2.432 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.159 -4.461 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.189 -2.175 -3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.583 -2.130 -5.061 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.615 -1.697 -2.447 1.00 0.00 H new ATOM 209 N ALA A 15 -18.645 -4.387 -2.989 1.00 0.00 N ATOM 210 CA ALA A 15 -17.227 -4.661 -2.807 1.00 0.00 C ATOM 211 C ALA A 15 -16.880 -6.094 -3.201 1.00 0.00 C ATOM 212 O ALA A 15 -15.751 -6.375 -3.591 1.00 0.00 O ATOM 213 CB ALA A 15 -16.827 -4.393 -1.363 1.00 0.00 C ATOM 0 H ALA A 15 -19.141 -4.166 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.666 -3.995 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.765 -4.600 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.025 -3.349 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.405 -5.037 -0.700 1.00 0.00 H new ATOM 219 N ALA A 16 -17.859 -6.988 -3.118 1.00 0.00 N ATOM 220 CA ALA A 16 -17.638 -8.392 -3.439 1.00 0.00 C ATOM 221 C ALA A 16 -17.374 -8.579 -4.930 1.00 0.00 C ATOM 222 O ALA A 16 -16.449 -9.293 -5.322 1.00 0.00 O ATOM 223 CB ALA A 16 -18.826 -9.233 -2.998 1.00 0.00 C ATOM 0 H ALA A 16 -18.812 -6.765 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.754 -8.727 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.643 -10.279 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.962 -9.134 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.725 -8.890 -3.511 1.00 0.00 H new ATOM 229 N HIS A 17 -18.177 -7.921 -5.760 1.00 0.00 N ATOM 230 CA HIS A 17 -18.012 -8.017 -7.205 1.00 0.00 C ATOM 231 C HIS A 17 -16.696 -7.390 -7.633 1.00 0.00 C ATOM 232 O HIS A 17 -16.000 -7.920 -8.497 1.00 0.00 O ATOM 233 CB HIS A 17 -19.169 -7.344 -7.945 1.00 0.00 C ATOM 234 CG HIS A 17 -19.608 -8.106 -9.160 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.999 -7.502 -10.337 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.704 -9.440 -9.377 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.317 -8.433 -11.221 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.144 -9.617 -10.663 1.00 0.00 N ATOM 0 H HIS A 17 -18.944 -7.319 -5.459 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.008 -9.075 -7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -20.014 -7.236 -7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.868 -6.339 -8.242 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -20.037 -6.496 -10.500 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.476 -10.221 -8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.660 -8.255 -12.229 1.00 0.00 H new ATOM 247 N VAL A 18 -16.362 -6.260 -7.025 1.00 0.00 N ATOM 248 CA VAL A 18 -15.101 -5.592 -7.307 1.00 0.00 C ATOM 249 C VAL A 18 -13.932 -6.480 -6.890 1.00 0.00 C ATOM 250 O VAL A 18 -12.978 -6.659 -7.644 1.00 0.00 O ATOM 251 CB VAL A 18 -15.002 -4.232 -6.579 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.676 -3.549 -6.883 1.00 0.00 C ATOM 253 CG2 VAL A 18 -16.165 -3.330 -6.965 1.00 0.00 C ATOM 0 H VAL A 18 -16.946 -5.788 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.059 -5.407 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.052 -4.420 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.630 -2.594 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.855 -4.185 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.592 -3.379 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.076 -2.378 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.149 -3.156 -8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.104 -3.809 -6.689 1.00 0.00 H new ATOM 263 N LYS A 19 -14.035 -7.051 -5.694 1.00 0.00 N ATOM 264 CA LYS A 19 -13.013 -7.955 -5.182 1.00 0.00 C ATOM 265 C LYS A 19 -12.810 -9.135 -6.122 1.00 0.00 C ATOM 266 O LYS A 19 -11.685 -9.443 -6.514 1.00 0.00 O ATOM 267 CB LYS A 19 -13.402 -8.471 -3.792 1.00 0.00 C ATOM 268 CG LYS A 19 -12.242 -9.069 -3.013 1.00 0.00 C ATOM 269 CD LYS A 19 -12.320 -10.587 -2.969 1.00 0.00 C ATOM 270 CE LYS A 19 -11.978 -11.122 -1.588 1.00 0.00 C ATOM 271 NZ LYS A 19 -10.599 -10.755 -1.169 1.00 0.00 N ATOM 0 H LYS A 19 -14.820 -6.902 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.080 -7.397 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.829 -7.650 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.182 -9.225 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.301 -8.766 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.244 -8.674 -1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.324 -10.909 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.635 -11.009 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.692 -10.733 -0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.080 -12.207 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.462 -11.006 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.910 -11.270 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.460 -9.732 -1.291 1.00 0.00 H new ATOM 285 N GLU A 20 -13.906 -9.787 -6.486 1.00 0.00 N ATOM 286 CA GLU A 20 -13.838 -10.962 -7.336 1.00 0.00 C ATOM 287 C GLU A 20 -13.337 -10.608 -8.730 1.00 0.00 C ATOM 288 O GLU A 20 -12.614 -11.391 -9.345 1.00 0.00 O ATOM 289 CB GLU A 20 -15.198 -11.674 -7.388 1.00 0.00 C ATOM 290 CG GLU A 20 -16.049 -11.340 -8.606 1.00 0.00 C ATOM 291 CD GLU A 20 -17.130 -12.370 -8.855 1.00 0.00 C ATOM 292 OE1 GLU A 20 -17.616 -12.973 -7.875 1.00 0.00 O ATOM 293 OE2 GLU A 20 -17.500 -12.582 -10.027 1.00 0.00 O ATOM 0 H GLU A 20 -14.850 -9.521 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.116 -11.654 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.029 -12.751 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.760 -11.420 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.508 -10.361 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.408 -11.270 -9.485 1.00 0.00 H new ATOM 300 N ALA A 21 -13.693 -9.425 -9.216 1.00 0.00 N ATOM 301 CA ALA A 21 -13.240 -8.979 -10.523 1.00 0.00 C ATOM 302 C ALA A 21 -11.740 -8.743 -10.493 1.00 0.00 C ATOM 303 O ALA A 21 -11.028 -9.053 -11.447 1.00 0.00 O ATOM 304 CB ALA A 21 -13.973 -7.716 -10.948 1.00 0.00 C ATOM 0 H ALA A 21 -14.292 -8.761 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.462 -9.756 -11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.617 -7.401 -11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.043 -7.916 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.785 -6.924 -10.223 1.00 0.00 H new ATOM 310 N LEU A 22 -11.270 -8.203 -9.378 1.00 0.00 N ATOM 311 CA LEU A 22 -9.853 -7.967 -9.183 1.00 0.00 C ATOM 312 C LEU A 22 -9.110 -9.290 -9.089 1.00 0.00 C ATOM 313 O LEU A 22 -8.139 -9.523 -9.803 1.00 0.00 O ATOM 314 CB LEU A 22 -9.616 -7.135 -7.921 1.00 0.00 C ATOM 315 CG LEU A 22 -9.916 -5.645 -8.066 1.00 0.00 C ATOM 316 CD1 LEU A 22 -10.033 -4.986 -6.701 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.845 -4.966 -8.901 1.00 0.00 C ATOM 0 H LEU A 22 -11.856 -7.920 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.473 -7.410 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.232 -7.538 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.576 -7.253 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.871 -5.535 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.247 -3.925 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.840 -5.455 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.096 -5.105 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.075 -3.905 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.876 -5.086 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.815 -5.419 -9.892 1.00 0.00 H new ATOM 329 N GLU A 23 -9.599 -10.171 -8.225 1.00 0.00 N ATOM 330 CA GLU A 23 -8.955 -11.458 -7.997 1.00 0.00 C ATOM 331 C GLU A 23 -9.216 -12.427 -9.150 1.00 0.00 C ATOM 332 O GLU A 23 -8.689 -13.540 -9.168 1.00 0.00 O ATOM 333 CB GLU A 23 -9.414 -12.054 -6.668 1.00 0.00 C ATOM 334 CG GLU A 23 -8.547 -11.620 -5.498 1.00 0.00 C ATOM 335 CD GLU A 23 -9.134 -11.988 -4.155 1.00 0.00 C ATOM 336 OE1 GLU A 23 -9.740 -13.074 -4.041 1.00 0.00 O ATOM 337 OE2 GLU A 23 -8.984 -11.201 -3.200 1.00 0.00 O ATOM 0 H GLU A 23 -10.441 -10.017 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.879 -11.292 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.446 -11.758 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.402 -13.142 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.562 -12.077 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.403 -10.540 -5.541 1.00 0.00 H new ATOM 344 N LYS A 24 -10.047 -12.010 -10.099 1.00 0.00 N ATOM 345 CA LYS A 24 -10.209 -12.744 -11.347 1.00 0.00 C ATOM 346 C LYS A 24 -8.987 -12.520 -12.224 1.00 0.00 C ATOM 347 O LYS A 24 -8.652 -13.341 -13.077 1.00 0.00 O ATOM 348 CB LYS A 24 -11.468 -12.286 -12.084 1.00 0.00 C ATOM 349 CG LYS A 24 -12.358 -13.428 -12.540 1.00 0.00 C ATOM 350 CD LYS A 24 -13.827 -13.044 -12.490 1.00 0.00 C ATOM 351 CE LYS A 24 -14.561 -13.807 -11.396 1.00 0.00 C ATOM 352 NZ LYS A 24 -14.977 -15.161 -11.849 1.00 0.00 N ATOM 0 H LYS A 24 -10.618 -11.168 -10.027 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.311 -13.805 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.042 -11.629 -11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.175 -11.696 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.090 -13.715 -13.557 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.187 -14.299 -11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.919 -11.972 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.292 -13.249 -13.454 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.916 -13.899 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.440 -13.242 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.473 -15.648 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.613 -15.073 -12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.136 -15.710 -12.121 1.00 0.00 H new ATOM 366 N VAL A 25 -8.331 -11.392 -12.001 1.00 0.00 N ATOM 367 CA VAL A 25 -7.089 -11.072 -12.676 1.00 0.00 C ATOM 368 C VAL A 25 -5.943 -11.817 -11.998 1.00 0.00 C ATOM 369 O VAL A 25 -5.749 -11.695 -10.788 1.00 0.00 O ATOM 370 CB VAL A 25 -6.822 -9.550 -12.649 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.432 -9.224 -13.176 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.886 -8.811 -13.447 1.00 0.00 C ATOM 0 H VAL A 25 -8.646 -10.675 -11.347 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.164 -11.382 -13.718 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.870 -9.217 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.274 -8.146 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.683 -9.719 -12.557 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.342 -9.574 -14.204 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.684 -7.740 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.870 -9.156 -14.481 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.867 -9.007 -13.014 1.00 0.00 H new ATOM 382 N PRO A 26 -5.177 -12.608 -12.766 1.00 0.00 N ATOM 383 CA PRO A 26 -4.096 -13.447 -12.228 1.00 0.00 C ATOM 384 C PRO A 26 -2.980 -12.638 -11.564 1.00 0.00 C ATOM 385 O PRO A 26 -2.161 -13.187 -10.827 1.00 0.00 O ATOM 386 CB PRO A 26 -3.558 -14.187 -13.461 1.00 0.00 C ATOM 387 CG PRO A 26 -4.006 -13.377 -14.628 1.00 0.00 C ATOM 388 CD PRO A 26 -5.312 -12.757 -14.225 1.00 0.00 C ATOM 0 HA PRO A 26 -4.464 -14.107 -11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.471 -14.266 -13.430 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.950 -15.203 -13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.271 -12.611 -14.877 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.127 -14.002 -15.513 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.470 -11.796 -14.715 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.158 -13.392 -14.488 1.00 0.00 H new ATOM 396 N GLY A 27 -2.962 -11.334 -11.814 1.00 0.00 N ATOM 397 CA GLY A 27 -1.941 -10.484 -11.237 1.00 0.00 C ATOM 398 C GLY A 27 -2.300 -10.015 -9.844 1.00 0.00 C ATOM 399 O GLY A 27 -1.483 -9.407 -9.158 1.00 0.00 O ATOM 0 H GLY A 27 -3.637 -10.851 -12.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.997 -11.027 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.787 -9.618 -11.881 1.00 0.00 H new ATOM 403 N VAL A 28 -3.527 -10.279 -9.424 1.00 0.00 N ATOM 404 CA VAL A 28 -3.954 -9.921 -8.083 1.00 0.00 C ATOM 405 C VAL A 28 -3.803 -11.114 -7.145 1.00 0.00 C ATOM 406 O VAL A 28 -4.419 -12.163 -7.347 1.00 0.00 O ATOM 407 CB VAL A 28 -5.411 -9.410 -8.072 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.922 -9.230 -6.652 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.514 -8.104 -8.844 1.00 0.00 C ATOM 0 H VAL A 28 -4.241 -10.738 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.315 -9.111 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.036 -10.159 -8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.950 -8.869 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.886 -10.185 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.297 -8.506 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.546 -7.753 -8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.870 -7.356 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.200 -8.265 -9.875 1.00 0.00 H new ATOM 419 N GLN A 29 -2.963 -10.957 -6.134 1.00 0.00 N ATOM 420 CA GLN A 29 -2.721 -12.017 -5.169 1.00 0.00 C ATOM 421 C GLN A 29 -3.765 -11.955 -4.057 1.00 0.00 C ATOM 422 O GLN A 29 -4.194 -12.982 -3.532 1.00 0.00 O ATOM 423 CB GLN A 29 -1.282 -11.906 -4.630 1.00 0.00 C ATOM 424 CG GLN A 29 -1.145 -11.958 -3.113 1.00 0.00 C ATOM 425 CD GLN A 29 0.135 -11.300 -2.624 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.131 -10.536 -1.658 1.00 0.00 O ATOM 427 NE2 GLN A 29 1.246 -11.599 -3.279 1.00 0.00 N ATOM 0 H GLN A 29 -2.435 -10.101 -5.960 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.818 -12.991 -5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.688 -12.713 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.851 -10.970 -4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.002 -11.463 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.165 -12.997 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.213 -12.236 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.135 -11.193 -2.988 1.00 0.00 H new ATOM 436 N SER A 30 -4.194 -10.743 -3.726 1.00 0.00 N ATOM 437 CA SER A 30 -5.239 -10.540 -2.734 1.00 0.00 C ATOM 438 C SER A 30 -5.870 -9.167 -2.906 1.00 0.00 C ATOM 439 O SER A 30 -5.210 -8.220 -3.339 1.00 0.00 O ATOM 440 CB SER A 30 -4.672 -10.680 -1.318 1.00 0.00 C ATOM 441 OG SER A 30 -5.011 -11.938 -0.757 1.00 0.00 O ATOM 0 H SER A 30 -3.831 -9.882 -4.134 1.00 0.00 H new ATOM 0 HA SER A 30 -6.004 -11.303 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.588 -10.570 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.059 -9.880 -0.687 1.00 0.00 H new ATOM 0 HG SER A 30 -4.825 -12.647 -1.407 1.00 0.00 H new ATOM 447 N ALA A 31 -7.151 -9.072 -2.597 1.00 0.00 N ATOM 448 CA ALA A 31 -7.862 -7.809 -2.646 1.00 0.00 C ATOM 449 C ALA A 31 -8.695 -7.625 -1.384 1.00 0.00 C ATOM 450 O ALA A 31 -9.835 -8.079 -1.309 1.00 0.00 O ATOM 451 CB ALA A 31 -8.743 -7.745 -3.886 1.00 0.00 C ATOM 0 H ALA A 31 -7.724 -9.864 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.135 -6.999 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.270 -6.791 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.123 -7.839 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.467 -8.559 -3.860 1.00 0.00 H new ATOM 457 N LEU A 32 -8.122 -6.964 -0.390 1.00 0.00 N ATOM 458 CA LEU A 32 -8.811 -6.747 0.873 1.00 0.00 C ATOM 459 C LEU A 32 -9.613 -5.459 0.800 1.00 0.00 C ATOM 460 O LEU A 32 -9.195 -4.419 1.304 1.00 0.00 O ATOM 461 CB LEU A 32 -7.813 -6.688 2.035 1.00 0.00 C ATOM 462 CG LEU A 32 -6.476 -7.390 1.784 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.371 -6.746 2.603 1.00 0.00 C ATOM 464 CD2 LEU A 32 -6.583 -8.873 2.105 1.00 0.00 C ATOM 0 H LEU A 32 -7.183 -6.569 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.487 -7.583 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.617 -5.642 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.278 -7.132 2.915 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.226 -7.283 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.429 -7.259 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.276 -5.697 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.614 -6.819 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.623 -9.355 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.858 -9.000 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.345 -9.328 1.473 1.00 0.00 H new ATOM 476 N VAL A 33 -10.757 -5.527 0.142 1.00 0.00 N ATOM 477 CA VAL A 33 -11.588 -4.353 -0.059 1.00 0.00 C ATOM 478 C VAL A 33 -12.215 -3.899 1.253 1.00 0.00 C ATOM 479 O VAL A 33 -12.973 -4.635 1.890 1.00 0.00 O ATOM 480 CB VAL A 33 -12.704 -4.611 -1.087 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.327 -3.305 -1.553 1.00 0.00 C ATOM 482 CG2 VAL A 33 -12.171 -5.397 -2.272 1.00 0.00 C ATOM 0 H VAL A 33 -11.132 -6.385 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.935 -3.569 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.479 -5.203 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.113 -3.515 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.754 -2.780 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.562 -2.682 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.976 -5.569 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.372 -4.833 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.781 -6.355 -1.928 1.00 0.00 H new ATOM 492 N SER A 34 -11.883 -2.686 1.648 1.00 0.00 N ATOM 493 CA SER A 34 -12.403 -2.098 2.863 1.00 0.00 C ATOM 494 C SER A 34 -13.722 -1.393 2.574 1.00 0.00 C ATOM 495 O SER A 34 -13.756 -0.182 2.353 1.00 0.00 O ATOM 496 CB SER A 34 -11.386 -1.107 3.432 1.00 0.00 C ATOM 497 OG SER A 34 -10.292 -0.937 2.541 1.00 0.00 O ATOM 0 H SER A 34 -11.244 -2.080 1.133 1.00 0.00 H new ATOM 0 HA SER A 34 -12.580 -2.884 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.869 -0.146 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.023 -1.465 4.396 1.00 0.00 H new ATOM 0 HG SER A 34 -9.555 -1.524 2.812 1.00 0.00 H new ATOM 503 N TYR A 35 -14.808 -2.162 2.572 1.00 0.00 N ATOM 504 CA TYR A 35 -16.134 -1.628 2.297 1.00 0.00 C ATOM 505 C TYR A 35 -16.506 -0.440 3.212 1.00 0.00 C ATOM 506 O TYR A 35 -17.035 0.551 2.717 1.00 0.00 O ATOM 507 CB TYR A 35 -17.186 -2.762 2.324 1.00 0.00 C ATOM 508 CG TYR A 35 -18.038 -2.873 3.574 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.094 -2.000 3.806 1.00 0.00 C ATOM 510 CD2 TYR A 35 -17.788 -3.860 4.519 1.00 0.00 C ATOM 511 CE1 TYR A 35 -19.873 -2.108 4.940 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.566 -3.974 5.655 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.604 -3.093 5.863 1.00 0.00 C ATOM 514 OH TYR A 35 -20.379 -3.197 6.994 1.00 0.00 O ATOM 0 H TYR A 35 -14.792 -3.164 2.760 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.122 -1.211 1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.851 -2.630 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.668 -3.710 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.309 -1.224 3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.972 -4.550 4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.691 -1.422 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.361 -4.751 6.377 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.059 -3.944 7.542 1.00 0.00 H new ATOM 524 N PRO A 36 -16.229 -0.477 4.541 1.00 0.00 N ATOM 525 CA PRO A 36 -16.598 0.626 5.437 1.00 0.00 C ATOM 526 C PRO A 36 -15.761 1.885 5.196 1.00 0.00 C ATOM 527 O PRO A 36 -16.081 2.962 5.699 1.00 0.00 O ATOM 528 CB PRO A 36 -16.328 0.070 6.843 1.00 0.00 C ATOM 529 CG PRO A 36 -16.100 -1.391 6.665 1.00 0.00 C ATOM 530 CD PRO A 36 -15.552 -1.555 5.283 1.00 0.00 C ATOM 0 HA PRO A 36 -17.632 0.935 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.459 0.549 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.173 0.256 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.401 -1.771 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.029 -1.949 6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.468 -1.444 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.781 -2.537 4.870 1.00 0.00 H new ATOM 538 N LYS A 37 -14.682 1.742 4.436 1.00 0.00 N ATOM 539 CA LYS A 37 -13.802 2.864 4.138 1.00 0.00 C ATOM 540 C LYS A 37 -13.999 3.343 2.703 1.00 0.00 C ATOM 541 O LYS A 37 -13.659 4.478 2.357 1.00 0.00 O ATOM 542 CB LYS A 37 -12.345 2.455 4.358 1.00 0.00 C ATOM 543 CG LYS A 37 -11.580 3.393 5.273 1.00 0.00 C ATOM 544 CD LYS A 37 -11.371 2.780 6.647 1.00 0.00 C ATOM 545 CE LYS A 37 -11.471 3.828 7.741 1.00 0.00 C ATOM 546 NZ LYS A 37 -12.557 3.520 8.711 1.00 0.00 N ATOM 0 H LYS A 37 -14.396 0.858 4.015 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.051 3.685 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.319 1.450 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.840 2.410 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.614 3.630 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.124 4.332 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.115 2.002 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.393 2.300 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.520 3.892 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.652 4.805 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.591 4.260 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.469 3.484 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.372 2.600 9.159 1.00 0.00 H new ATOM 560 N GLY A 38 -14.555 2.474 1.874 1.00 0.00 N ATOM 561 CA GLY A 38 -14.716 2.785 0.471 1.00 0.00 C ATOM 562 C GLY A 38 -13.415 2.627 -0.290 1.00 0.00 C ATOM 563 O GLY A 38 -13.202 3.269 -1.315 1.00 0.00 O ATOM 0 H GLY A 38 -14.899 1.554 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.473 2.131 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.079 3.807 0.364 1.00 0.00 H new ATOM 567 N THR A 39 -12.539 1.773 0.216 1.00 0.00 N ATOM 568 CA THR A 39 -11.246 1.551 -0.407 1.00 0.00 C ATOM 569 C THR A 39 -11.014 0.066 -0.634 1.00 0.00 C ATOM 570 O THR A 39 -11.835 -0.763 -0.252 1.00 0.00 O ATOM 571 CB THR A 39 -10.104 2.111 0.463 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.365 1.849 1.851 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.939 3.609 0.250 1.00 0.00 C ATOM 0 H THR A 39 -12.702 1.222 1.059 1.00 0.00 H new ATOM 0 HA THR A 39 -11.250 2.073 -1.364 1.00 0.00 H new ATOM 0 HB THR A 39 -9.181 1.614 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.310 0.885 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.127 3.978 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.708 3.804 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.864 4.119 0.518 1.00 0.00 H new ATOM 581 N ALA A 40 -9.903 -0.258 -1.265 1.00 0.00 N ATOM 582 CA ALA A 40 -9.515 -1.640 -1.466 1.00 0.00 C ATOM 583 C ALA A 40 -8.029 -1.810 -1.197 1.00 0.00 C ATOM 584 O ALA A 40 -7.196 -1.206 -1.875 1.00 0.00 O ATOM 585 CB ALA A 40 -9.856 -2.088 -2.878 1.00 0.00 C ATOM 0 H ALA A 40 -9.248 0.423 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.070 -2.265 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.558 -3.128 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.930 -1.995 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.325 -1.463 -3.596 1.00 0.00 H new ATOM 591 N GLN A 41 -7.699 -2.618 -0.202 1.00 0.00 N ATOM 592 CA GLN A 41 -6.307 -2.876 0.130 1.00 0.00 C ATOM 593 C GLN A 41 -5.798 -4.031 -0.715 1.00 0.00 C ATOM 594 O GLN A 41 -5.981 -5.197 -0.370 1.00 0.00 O ATOM 595 CB GLN A 41 -6.149 -3.190 1.619 1.00 0.00 C ATOM 596 CG GLN A 41 -5.901 -1.960 2.478 1.00 0.00 C ATOM 597 CD GLN A 41 -7.111 -1.569 3.305 1.00 0.00 C ATOM 598 OE1 GLN A 41 -8.076 -2.326 3.418 1.00 0.00 O ATOM 599 NE2 GLN A 41 -7.075 -0.379 3.883 1.00 0.00 N ATOM 0 H GLN A 41 -8.374 -3.105 0.388 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.719 -1.983 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.048 -3.694 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.321 -3.887 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.058 -2.150 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.619 -1.125 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.258 0.220 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.864 -0.061 4.445 1.00 0.00 H new ATOM 608 N LEU A 42 -5.180 -3.704 -1.831 1.00 0.00 N ATOM 609 CA LEU A 42 -4.787 -4.712 -2.797 1.00 0.00 C ATOM 610 C LEU A 42 -3.421 -5.296 -2.472 1.00 0.00 C ATOM 611 O LEU A 42 -2.636 -4.713 -1.722 1.00 0.00 O ATOM 612 CB LEU A 42 -4.773 -4.118 -4.209 1.00 0.00 C ATOM 613 CG LEU A 42 -6.053 -4.311 -5.034 1.00 0.00 C ATOM 614 CD1 LEU A 42 -7.281 -4.379 -4.140 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.198 -3.188 -6.047 1.00 0.00 C ATOM 0 H LEU A 42 -4.938 -2.748 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.520 -5.517 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.573 -3.049 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.941 -4.558 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.973 -5.260 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.171 -4.516 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.183 -5.218 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.370 -3.452 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.109 -3.336 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.250 -2.232 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.338 -3.189 -6.717 1.00 0.00 H new ATOM 627 N ALA A 43 -3.171 -6.467 -3.022 1.00 0.00 N ATOM 628 CA ALA A 43 -1.871 -7.098 -2.966 1.00 0.00 C ATOM 629 C ALA A 43 -1.537 -7.632 -4.348 1.00 0.00 C ATOM 630 O ALA A 43 -2.063 -8.663 -4.774 1.00 0.00 O ATOM 631 CB ALA A 43 -1.861 -8.209 -1.931 1.00 0.00 C ATOM 0 H ALA A 43 -3.872 -7.011 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.116 -6.371 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.875 -8.672 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.095 -7.795 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.606 -8.959 -2.195 1.00 0.00 H new ATOM 637 N ILE A 44 -0.685 -6.912 -5.055 1.00 0.00 N ATOM 638 CA ILE A 44 -0.427 -7.195 -6.457 1.00 0.00 C ATOM 639 C ILE A 44 0.760 -8.127 -6.647 1.00 0.00 C ATOM 640 O ILE A 44 1.689 -8.151 -5.836 1.00 0.00 O ATOM 641 CB ILE A 44 -0.172 -5.899 -7.255 1.00 0.00 C ATOM 642 CG1 ILE A 44 0.712 -4.932 -6.460 1.00 0.00 C ATOM 643 CG2 ILE A 44 -1.490 -5.235 -7.621 1.00 0.00 C ATOM 644 CD1 ILE A 44 2.022 -4.609 -7.146 1.00 0.00 C ATOM 0 H ILE A 44 -0.158 -6.124 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.324 -7.687 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 44 0.354 -6.162 -8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.162 -4.006 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.920 -5.364 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.294 -4.322 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.084 -5.916 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.039 -4.990 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.596 -3.920 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.592 -5.526 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.822 -4.148 -8.113 1.00 0.00 H new ATOM 656 N VAL A 45 0.706 -8.905 -7.717 1.00 0.00 N ATOM 657 CA VAL A 45 1.819 -9.738 -8.128 1.00 0.00 C ATOM 658 C VAL A 45 2.767 -8.911 -8.989 1.00 0.00 C ATOM 659 O VAL A 45 2.334 -8.285 -9.961 1.00 0.00 O ATOM 660 CB VAL A 45 1.320 -10.975 -8.914 1.00 0.00 C ATOM 661 CG1 VAL A 45 2.391 -11.526 -9.847 1.00 0.00 C ATOM 662 CG2 VAL A 45 0.839 -12.052 -7.953 1.00 0.00 C ATOM 0 H VAL A 45 -0.112 -8.975 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 45 2.345 -10.095 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 45 0.483 -10.656 -9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.999 -12.393 -10.379 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.677 -10.758 -10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.264 -11.822 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.491 -12.916 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.660 -12.352 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.021 -11.661 -7.348 1.00 0.00 H new ATOM 672 N PRO A 46 4.063 -8.874 -8.625 1.00 0.00 N ATOM 673 CA PRO A 46 5.075 -8.101 -9.354 1.00 0.00 C ATOM 674 C PRO A 46 5.021 -8.347 -10.858 1.00 0.00 C ATOM 675 O PRO A 46 5.137 -9.488 -11.318 1.00 0.00 O ATOM 676 CB PRO A 46 6.392 -8.613 -8.775 1.00 0.00 C ATOM 677 CG PRO A 46 6.047 -9.058 -7.398 1.00 0.00 C ATOM 678 CD PRO A 46 4.639 -9.584 -7.469 1.00 0.00 C ATOM 0 HA PRO A 46 4.931 -7.027 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.793 -9.434 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.150 -7.830 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.735 -9.831 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.119 -8.231 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.621 -10.664 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.086 -9.375 -6.553 1.00 0.00 H new ATOM 686 N GLY A 47 4.815 -7.276 -11.608 1.00 0.00 N ATOM 687 CA GLY A 47 4.694 -7.374 -13.045 1.00 0.00 C ATOM 688 C GLY A 47 3.379 -6.800 -13.519 1.00 0.00 C ATOM 689 O GLY A 47 3.295 -6.201 -14.591 1.00 0.00 O ATOM 0 H GLY A 47 4.729 -6.329 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.519 -6.843 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.770 -8.418 -13.349 1.00 0.00 H new ATOM 693 N THR A 48 2.350 -6.987 -12.708 1.00 0.00 N ATOM 694 CA THR A 48 1.026 -6.465 -13.002 1.00 0.00 C ATOM 695 C THR A 48 0.951 -4.966 -12.738 1.00 0.00 C ATOM 696 O THR A 48 1.449 -4.475 -11.723 1.00 0.00 O ATOM 697 CB THR A 48 -0.048 -7.192 -12.172 1.00 0.00 C ATOM 698 OG1 THR A 48 0.397 -8.521 -11.867 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.372 -7.255 -12.924 1.00 0.00 C ATOM 0 H THR A 48 2.409 -7.503 -11.830 1.00 0.00 H new ATOM 0 HA THR A 48 0.836 -6.641 -14.061 1.00 0.00 H new ATOM 0 HB THR A 48 -0.204 -6.634 -11.249 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.978 -8.498 -11.078 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.112 -7.774 -12.315 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.719 -6.244 -13.134 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.233 -7.793 -13.862 1.00 0.00 H new ATOM 707 N SER A 49 0.344 -4.248 -13.670 1.00 0.00 N ATOM 708 CA SER A 49 0.177 -2.816 -13.541 1.00 0.00 C ATOM 709 C SER A 49 -1.093 -2.496 -12.753 1.00 0.00 C ATOM 710 O SER A 49 -2.184 -2.930 -13.121 1.00 0.00 O ATOM 711 CB SER A 49 0.126 -2.178 -14.931 1.00 0.00 C ATOM 712 OG SER A 49 0.201 -3.169 -15.946 1.00 0.00 O ATOM 0 H SER A 49 -0.042 -4.641 -14.528 1.00 0.00 H new ATOM 0 HA SER A 49 1.026 -2.405 -12.995 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.797 -1.608 -15.041 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.950 -1.474 -15.043 1.00 0.00 H new ATOM 0 HG SER A 49 0.165 -2.739 -16.826 1.00 0.00 H new ATOM 718 N PRO A 50 -0.974 -1.738 -11.651 1.00 0.00 N ATOM 719 CA PRO A 50 -2.114 -1.412 -10.786 1.00 0.00 C ATOM 720 C PRO A 50 -3.123 -0.491 -11.457 1.00 0.00 C ATOM 721 O PRO A 50 -4.290 -0.461 -11.077 1.00 0.00 O ATOM 722 CB PRO A 50 -1.479 -0.718 -9.573 1.00 0.00 C ATOM 723 CG PRO A 50 -0.017 -1.002 -9.673 1.00 0.00 C ATOM 724 CD PRO A 50 0.275 -1.160 -11.139 1.00 0.00 C ATOM 0 HA PRO A 50 -2.680 -2.308 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.673 0.355 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.891 -1.103 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.569 -0.189 -9.244 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.243 -1.907 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.504 -0.205 -11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.128 -1.816 -11.315 1.00 0.00 H new ATOM 732 N ASP A 51 -2.674 0.230 -12.475 1.00 0.00 N ATOM 733 CA ASP A 51 -3.537 1.140 -13.215 1.00 0.00 C ATOM 734 C ASP A 51 -4.498 0.331 -14.066 1.00 0.00 C ATOM 735 O ASP A 51 -5.563 0.806 -14.467 1.00 0.00 O ATOM 736 CB ASP A 51 -2.680 2.064 -14.086 1.00 0.00 C ATOM 737 CG ASP A 51 -3.487 2.878 -15.079 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.438 3.569 -14.662 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.167 2.830 -16.289 1.00 0.00 O ATOM 0 H ASP A 51 -1.711 0.202 -12.809 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.113 1.756 -12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.121 2.742 -13.442 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.949 1.464 -14.628 1.00 0.00 H new ATOM 744 N ALA A 52 -4.130 -0.920 -14.292 1.00 0.00 N ATOM 745 CA ALA A 52 -4.951 -1.816 -15.084 1.00 0.00 C ATOM 746 C ALA A 52 -6.149 -2.270 -14.272 1.00 0.00 C ATOM 747 O ALA A 52 -7.216 -2.546 -14.813 1.00 0.00 O ATOM 748 CB ALA A 52 -4.147 -3.013 -15.566 1.00 0.00 C ATOM 0 H ALA A 52 -3.269 -1.336 -13.938 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.302 -1.276 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.788 -3.668 -16.157 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.315 -2.669 -16.180 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.761 -3.562 -14.707 1.00 0.00 H new ATOM 754 N LEU A 53 -5.961 -2.325 -12.964 1.00 0.00 N ATOM 755 CA LEU A 53 -7.026 -2.693 -12.050 1.00 0.00 C ATOM 756 C LEU A 53 -8.019 -1.547 -11.934 1.00 0.00 C ATOM 757 O LEU A 53 -9.234 -1.750 -11.957 1.00 0.00 O ATOM 758 CB LEU A 53 -6.445 -3.037 -10.678 1.00 0.00 C ATOM 759 CG LEU A 53 -5.201 -3.929 -10.704 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.591 -4.028 -9.315 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.545 -5.310 -11.238 1.00 0.00 C ATOM 0 H LEU A 53 -5.072 -2.117 -12.510 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.544 -3.571 -12.436 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.197 -2.109 -10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.216 -3.533 -10.088 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.466 -3.479 -11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.708 -4.666 -9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.307 -3.034 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.320 -4.456 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.648 -5.930 -11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.297 -5.771 -10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.937 -5.221 -12.251 1.00 0.00 H new ATOM 773 N THR A 54 -7.484 -0.340 -11.826 1.00 0.00 N ATOM 774 CA THR A 54 -8.292 0.863 -11.800 1.00 0.00 C ATOM 775 C THR A 54 -9.159 0.955 -13.051 1.00 0.00 C ATOM 776 O THR A 54 -10.375 1.159 -12.969 1.00 0.00 O ATOM 777 CB THR A 54 -7.388 2.106 -11.703 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.039 1.708 -11.435 1.00 0.00 O ATOM 779 CG2 THR A 54 -7.865 3.048 -10.614 1.00 0.00 C ATOM 0 H THR A 54 -6.481 -0.171 -11.754 1.00 0.00 H new ATOM 0 HA THR A 54 -8.941 0.821 -10.926 1.00 0.00 H new ATOM 0 HB THR A 54 -7.434 2.632 -12.657 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.517 2.489 -11.157 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.207 3.916 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.881 3.374 -10.835 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.850 2.532 -9.654 1.00 0.00 H new ATOM 787 N ALA A 55 -8.532 0.778 -14.206 1.00 0.00 N ATOM 788 CA ALA A 55 -9.252 0.800 -15.472 1.00 0.00 C ATOM 789 C ALA A 55 -10.218 -0.371 -15.571 1.00 0.00 C ATOM 790 O ALA A 55 -11.290 -0.247 -16.157 1.00 0.00 O ATOM 791 CB ALA A 55 -8.281 0.785 -16.641 1.00 0.00 C ATOM 0 H ALA A 55 -7.528 0.618 -14.293 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.831 1.723 -15.512 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.839 0.802 -17.577 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.634 1.661 -16.588 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.673 -0.118 -16.597 1.00 0.00 H new ATOM 797 N ALA A 56 -9.835 -1.506 -15.000 1.00 0.00 N ATOM 798 CA ALA A 56 -10.697 -2.681 -15.001 1.00 0.00 C ATOM 799 C ALA A 56 -11.987 -2.407 -14.238 1.00 0.00 C ATOM 800 O ALA A 56 -13.079 -2.696 -14.732 1.00 0.00 O ATOM 801 CB ALA A 56 -9.977 -3.886 -14.414 1.00 0.00 C ATOM 0 H ALA A 56 -8.938 -1.638 -14.533 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.951 -2.908 -16.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.643 -4.749 -14.427 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.089 -4.104 -15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.683 -3.669 -13.387 1.00 0.00 H new ATOM 807 N VAL A 57 -11.866 -1.831 -13.047 1.00 0.00 N ATOM 808 CA VAL A 57 -13.039 -1.524 -12.241 1.00 0.00 C ATOM 809 C VAL A 57 -13.846 -0.388 -12.871 1.00 0.00 C ATOM 810 O VAL A 57 -15.078 -0.439 -12.909 1.00 0.00 O ATOM 811 CB VAL A 57 -12.665 -1.158 -10.791 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.913 -0.888 -9.960 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.831 -2.260 -10.157 1.00 0.00 C ATOM 0 H VAL A 57 -10.976 -1.570 -12.622 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.650 -2.426 -12.212 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.069 -0.246 -10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.623 -0.632 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.470 -0.059 -10.398 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.540 -1.779 -9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.578 -1.982 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.401 -3.189 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.916 -2.400 -10.732 1.00 0.00 H new ATOM 823 N ALA A 58 -13.150 0.625 -13.388 1.00 0.00 N ATOM 824 CA ALA A 58 -13.814 1.743 -14.045 1.00 0.00 C ATOM 825 C ALA A 58 -14.526 1.296 -15.317 1.00 0.00 C ATOM 826 O ALA A 58 -15.545 1.865 -15.705 1.00 0.00 O ATOM 827 CB ALA A 58 -12.814 2.848 -14.352 1.00 0.00 C ATOM 0 H ALA A 58 -12.132 0.691 -13.363 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.568 2.133 -13.362 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.326 3.676 -14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.363 3.199 -13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.035 2.462 -15.010 1.00 0.00 H new ATOM 833 N GLY A 59 -13.991 0.270 -15.959 1.00 0.00 N ATOM 834 CA GLY A 59 -14.596 -0.241 -17.169 1.00 0.00 C ATOM 835 C GLY A 59 -15.742 -1.190 -16.885 1.00 0.00 C ATOM 836 O GLY A 59 -16.514 -1.533 -17.781 1.00 0.00 O ATOM 0 H GLY A 59 -13.146 -0.219 -15.662 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.959 0.592 -17.771 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.839 -0.756 -17.761 1.00 0.00 H new ATOM 840 N LEU A 60 -15.861 -1.612 -15.633 1.00 0.00 N ATOM 841 CA LEU A 60 -16.901 -2.553 -15.243 1.00 0.00 C ATOM 842 C LEU A 60 -18.168 -1.826 -14.811 1.00 0.00 C ATOM 843 O LEU A 60 -19.025 -2.396 -14.141 1.00 0.00 O ATOM 844 CB LEU A 60 -16.403 -3.459 -14.118 1.00 0.00 C ATOM 845 CG LEU A 60 -16.117 -4.900 -14.531 1.00 0.00 C ATOM 846 CD1 LEU A 60 -14.839 -5.398 -13.875 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.288 -5.803 -14.175 1.00 0.00 C ATOM 0 H LEU A 60 -15.250 -1.317 -14.871 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.142 -3.166 -16.112 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.493 -3.029 -13.701 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.146 -3.466 -13.321 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.982 -4.927 -15.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.650 -6.427 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.003 -4.769 -14.182 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.946 -5.355 -12.791 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.064 -6.826 -14.478 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.457 -5.772 -13.099 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.183 -5.459 -14.693 1.00 0.00 H new ATOM 859 N GLY A 61 -18.275 -0.563 -15.194 1.00 0.00 N ATOM 860 CA GLY A 61 -19.459 0.215 -14.876 1.00 0.00 C ATOM 861 C GLY A 61 -19.341 0.917 -13.544 1.00 0.00 C ATOM 862 O GLY A 61 -20.217 1.694 -13.156 1.00 0.00 O ATOM 0 H GLY A 61 -17.562 -0.059 -15.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.628 0.953 -15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.330 -0.441 -14.863 1.00 0.00 H new ATOM 866 N TYR A 62 -18.258 0.642 -12.839 1.00 0.00 N ATOM 867 CA TYR A 62 -18.008 1.252 -11.550 1.00 0.00 C ATOM 868 C TYR A 62 -16.935 2.322 -11.701 1.00 0.00 C ATOM 869 O TYR A 62 -16.478 2.594 -12.809 1.00 0.00 O ATOM 870 CB TYR A 62 -17.573 0.191 -10.528 1.00 0.00 C ATOM 871 CG TYR A 62 -18.229 -1.165 -10.717 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.605 -1.274 -10.878 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.473 -2.333 -10.741 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.209 -2.507 -11.050 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.071 -3.567 -10.910 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.427 -3.656 -11.063 1.00 0.00 C ATOM 877 OH TYR A 62 -20.036 -4.881 -11.231 1.00 0.00 O ATOM 0 H TYR A 62 -17.532 -0.007 -13.144 1.00 0.00 H new ATOM 0 HA TYR A 62 -18.926 1.713 -11.185 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.491 0.069 -10.586 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.800 0.555 -9.526 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.213 -0.381 -10.869 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.401 -2.274 -10.626 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.280 -2.576 -11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.467 -4.462 -10.921 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.845 -4.773 -11.774 1.00 0.00 H new ATOM 887 N LYS A 63 -16.538 2.936 -10.602 1.00 0.00 N ATOM 888 CA LYS A 63 -15.499 3.945 -10.642 1.00 0.00 C ATOM 889 C LYS A 63 -14.368 3.569 -9.707 1.00 0.00 C ATOM 890 O LYS A 63 -14.568 3.420 -8.503 1.00 0.00 O ATOM 891 CB LYS A 63 -16.058 5.314 -10.257 1.00 0.00 C ATOM 892 CG LYS A 63 -16.574 6.113 -11.439 1.00 0.00 C ATOM 893 CD LYS A 63 -18.085 6.261 -11.385 1.00 0.00 C ATOM 894 CE LYS A 63 -18.751 5.556 -12.554 1.00 0.00 C ATOM 895 NZ LYS A 63 -20.197 5.890 -12.645 1.00 0.00 N ATOM 0 H LYS A 63 -16.919 2.754 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.117 4.000 -11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.867 5.178 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.279 5.887 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.109 7.099 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.287 5.620 -12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.460 5.849 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.350 7.318 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.253 5.839 -13.481 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.633 4.478 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.618 5.391 -13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.677 5.597 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.309 6.916 -12.775 1.00 0.00 H new ATOM 909 N ALA A 64 -13.186 3.391 -10.257 1.00 0.00 N ATOM 910 CA ALA A 64 -12.033 3.072 -9.442 1.00 0.00 C ATOM 911 C ALA A 64 -11.039 4.217 -9.428 1.00 0.00 C ATOM 912 O ALA A 64 -10.629 4.715 -10.477 1.00 0.00 O ATOM 913 CB ALA A 64 -11.364 1.802 -9.932 1.00 0.00 C ATOM 0 H ALA A 64 -12.998 3.461 -11.257 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.382 2.911 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.500 1.581 -9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.072 0.975 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.039 1.937 -10.964 1.00 0.00 H new ATOM 919 N THR A 65 -10.682 4.641 -8.234 1.00 0.00 N ATOM 920 CA THR A 65 -9.604 5.589 -8.044 1.00 0.00 C ATOM 921 C THR A 65 -8.493 4.891 -7.270 1.00 0.00 C ATOM 922 O THR A 65 -8.530 3.671 -7.118 1.00 0.00 O ATOM 923 CB THR A 65 -10.084 6.838 -7.281 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.419 6.633 -6.795 1.00 0.00 O ATOM 925 CG2 THR A 65 -10.051 8.065 -8.179 1.00 0.00 C ATOM 0 H THR A 65 -11.130 4.339 -7.369 1.00 0.00 H new ATOM 0 HA THR A 65 -9.240 5.925 -9.015 1.00 0.00 H new ATOM 0 HB THR A 65 -9.412 7.004 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.717 7.431 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.394 8.935 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.032 8.235 -8.525 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.704 7.905 -9.037 1.00 0.00 H new ATOM 933 N LEU A 66 -7.524 5.631 -6.763 1.00 0.00 N ATOM 934 CA LEU A 66 -6.461 5.018 -5.982 1.00 0.00 C ATOM 935 C LEU A 66 -5.875 6.021 -5.007 1.00 0.00 C ATOM 936 O LEU A 66 -5.695 7.195 -5.341 1.00 0.00 O ATOM 937 CB LEU A 66 -5.366 4.451 -6.898 1.00 0.00 C ATOM 938 CG LEU A 66 -4.467 5.485 -7.578 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.010 5.243 -7.213 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.656 5.443 -9.086 1.00 0.00 C ATOM 0 H LEU A 66 -7.449 6.642 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.888 4.191 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.738 3.781 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.842 3.847 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.749 6.477 -7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.383 5.987 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.888 5.322 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.714 4.246 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.009 6.185 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.399 4.451 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.696 5.663 -9.329 1.00 0.00 H new ATOM 952 N ALA A 67 -5.603 5.561 -3.798 1.00 0.00 N ATOM 953 CA ALA A 67 -5.055 6.421 -2.763 1.00 0.00 C ATOM 954 C ALA A 67 -3.983 5.688 -1.974 1.00 0.00 C ATOM 955 O ALA A 67 -4.285 4.797 -1.184 1.00 0.00 O ATOM 956 CB ALA A 67 -6.160 6.908 -1.840 1.00 0.00 C ATOM 0 H ALA A 67 -5.753 4.595 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.597 7.288 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.734 7.551 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.894 7.470 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.645 6.052 -1.370 1.00 0.00 H new