USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 9 LYS NZ :NH3+ 145:sc= -0.123 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -7.5! C(o=-7.6!,f=-10!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 11 MET CE :methyl 164:sc= -1.07 (180deg=-1.98!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -3.28! (180deg=-3.79!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.606 USER MOD Single : A 37 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-8.7!) USER MOD Single : A 38 LYS NZ :NH3+ -121:sc= -0.0254 (180deg=-0.233) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -51:sc= -0.367 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 79 ASN : amide:sc= -3.88! K(o=-3.9!,f=-0.059) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.152 14.103 4.311 1.00 0.00 N ATOM 40 CA VAL A 4 2.462 13.029 5.014 1.00 0.00 C ATOM 41 C VAL A 4 2.702 11.687 4.325 1.00 0.00 C ATOM 42 O VAL A 4 2.279 11.483 3.186 1.00 0.00 O ATOM 43 CB VAL A 4 0.948 13.287 5.111 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.347 12.454 6.228 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.666 14.766 5.332 1.00 0.00 C ATOM 0 HA VAL A 4 2.872 12.999 6.024 1.00 0.00 H new ATOM 0 HB VAL A 4 0.485 12.993 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.725 12.644 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.517 11.397 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.816 12.722 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.410 14.925 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.138 15.092 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.068 15.342 4.498 1.00 0.00 H new ATOM 55 N VAL A 5 3.378 10.773 5.017 1.00 0.00 N ATOM 56 CA VAL A 5 3.685 9.460 4.452 1.00 0.00 C ATOM 57 C VAL A 5 2.820 8.360 5.063 1.00 0.00 C ATOM 58 O VAL A 5 3.019 7.970 6.210 1.00 0.00 O ATOM 59 CB VAL A 5 5.170 9.092 4.654 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.530 7.861 3.837 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.066 10.264 4.288 1.00 0.00 C ATOM 0 H VAL A 5 3.723 10.916 5.966 1.00 0.00 H new ATOM 0 HA VAL A 5 3.469 9.531 3.386 1.00 0.00 H new ATOM 0 HB VAL A 5 5.328 8.860 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.581 7.616 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.911 7.021 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.356 8.062 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.109 9.985 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.908 10.531 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.825 11.118 4.921 1.00 0.00 H new ATOM 71 N ALA A 6 1.882 7.838 4.273 1.00 0.00 N ATOM 72 CA ALA A 6 1.020 6.748 4.725 1.00 0.00 C ATOM 73 C ALA A 6 1.598 5.408 4.283 1.00 0.00 C ATOM 74 O ALA A 6 2.485 5.369 3.434 1.00 0.00 O ATOM 75 CB ALA A 6 -0.390 6.927 4.179 1.00 0.00 C ATOM 0 H ALA A 6 1.701 8.152 3.320 1.00 0.00 H new ATOM 0 HA ALA A 6 0.971 6.765 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.021 6.108 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.799 7.873 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.361 6.928 3.089 1.00 0.00 H new ATOM 81 N THR A 7 1.112 4.311 4.862 1.00 0.00 N ATOM 82 CA THR A 7 1.611 2.990 4.490 1.00 0.00 C ATOM 83 C THR A 7 0.502 1.940 4.458 1.00 0.00 C ATOM 84 O THR A 7 -0.248 1.752 5.429 1.00 0.00 O ATOM 85 CB THR A 7 2.722 2.540 5.430 1.00 0.00 C ATOM 86 OG1 THR A 7 3.654 3.586 5.647 1.00 0.00 O ATOM 87 CG2 THR A 7 3.483 1.339 4.910 1.00 0.00 C ATOM 0 H THR A 7 0.386 4.310 5.578 1.00 0.00 H new ATOM 0 HA THR A 7 2.012 3.083 3.481 1.00 0.00 H new ATOM 0 HB THR A 7 2.226 2.264 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.358 3.276 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.261 1.065 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.797 0.501 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.939 1.585 3.951 1.00 0.00 H new ATOM 95 N ILE A 8 0.456 1.228 3.334 1.00 0.00 N ATOM 96 CA ILE A 8 -0.529 0.184 3.089 1.00 0.00 C ATOM 97 C ILE A 8 0.171 -1.158 2.837 1.00 0.00 C ATOM 98 O ILE A 8 0.800 -1.348 1.799 1.00 0.00 O ATOM 99 CB ILE A 8 -1.394 0.559 1.869 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.771 2.049 1.926 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.626 -0.313 1.804 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.963 2.360 2.809 1.00 0.00 C ATOM 0 H ILE A 8 1.109 1.363 2.562 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.167 0.088 3.968 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.816 0.387 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.911 2.615 2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.983 2.397 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.224 -0.034 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.328 -1.358 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.216 -0.177 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.159 3.432 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.838 1.825 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.750 2.047 3.831 1.00 0.00 H new ATOM 114 N LYS A 9 0.125 -2.057 3.824 1.00 0.00 N ATOM 115 CA LYS A 9 0.810 -3.355 3.723 1.00 0.00 C ATOM 116 C LYS A 9 -0.115 -4.452 3.206 1.00 0.00 C ATOM 117 O LYS A 9 -0.809 -5.107 3.978 1.00 0.00 O ATOM 118 CB LYS A 9 1.383 -3.767 5.077 1.00 0.00 C ATOM 119 CG LYS A 9 1.551 -2.614 6.057 1.00 0.00 C ATOM 120 CD LYS A 9 3.002 -2.197 6.195 1.00 0.00 C ATOM 121 CE LYS A 9 3.768 -3.132 7.117 1.00 0.00 C ATOM 122 NZ LYS A 9 5.238 -2.901 7.047 1.00 0.00 N ATOM 0 H LYS A 9 -0.377 -1.914 4.700 1.00 0.00 H new ATOM 0 HA LYS A 9 1.621 -3.231 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.730 -4.517 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.352 -4.241 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.959 -1.763 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.163 -2.907 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.473 -2.187 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.053 -1.180 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.427 -2.990 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.550 -4.166 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.658 -3.053 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.662 -3.564 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.422 -1.925 6.739 1.00 0.00 H new ATOM 136 N VAL A 10 -0.096 -4.669 1.903 1.00 0.00 N ATOM 137 CA VAL A 10 -0.980 -5.653 1.276 1.00 0.00 C ATOM 138 C VAL A 10 -0.303 -7.016 1.133 1.00 0.00 C ATOM 139 O VAL A 10 0.870 -7.101 0.781 1.00 0.00 O ATOM 140 CB VAL A 10 -1.488 -5.158 -0.105 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.188 -3.676 -0.291 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.900 -5.969 -1.252 1.00 0.00 C ATOM 0 H VAL A 10 0.520 -4.180 1.253 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.838 -5.771 1.938 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.568 -5.302 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.553 -3.350 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.685 -3.103 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.112 -3.513 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.282 -5.589 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.187 -5.884 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.183 -7.016 -1.140 1.00 0.00 H new ATOM 152 N MET A 11 -1.058 -8.081 1.405 1.00 0.00 N ATOM 153 CA MET A 11 -0.533 -9.439 1.293 1.00 0.00 C ATOM 154 C MET A 11 -1.621 -10.421 0.830 1.00 0.00 C ATOM 155 O MET A 11 -2.680 -10.537 1.454 1.00 0.00 O ATOM 156 CB MET A 11 0.078 -9.889 2.631 1.00 0.00 C ATOM 157 CG MET A 11 -0.916 -10.483 3.618 1.00 0.00 C ATOM 158 SD MET A 11 -0.192 -11.773 4.645 1.00 0.00 S ATOM 159 CE MET A 11 -0.560 -13.226 3.665 1.00 0.00 C ATOM 0 H MET A 11 -2.032 -8.028 1.703 1.00 0.00 H new ATOM 0 HA MET A 11 0.252 -9.437 0.537 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.854 -10.627 2.430 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.565 -9.033 3.098 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.304 -9.690 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.764 -10.894 3.070 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.054 -14.060 4.005 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.614 -13.483 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.345 -13.021 2.616 1.00 0.00 H new ATOM 169 N PRO A 12 -1.374 -11.133 -0.288 1.00 0.00 N ATOM 170 CA PRO A 12 -2.323 -12.107 -0.844 1.00 0.00 C ATOM 171 C PRO A 12 -2.493 -13.327 0.058 1.00 0.00 C ATOM 172 O PRO A 12 -1.515 -13.968 0.440 1.00 0.00 O ATOM 173 CB PRO A 12 -1.688 -12.519 -2.183 1.00 0.00 C ATOM 174 CG PRO A 12 -0.639 -11.495 -2.452 1.00 0.00 C ATOM 175 CD PRO A 12 -0.158 -11.043 -1.105 1.00 0.00 C ATOM 0 HA PRO A 12 -3.321 -11.681 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.256 -13.518 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.431 -12.540 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.178 -11.916 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.044 -10.660 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.637 -11.683 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.237 -10.028 -1.135 1.00 0.00 H new ATOM 183 N GLU A 13 -3.740 -13.626 0.410 1.00 0.00 N ATOM 184 CA GLU A 13 -4.048 -14.765 1.270 1.00 0.00 C ATOM 185 C GLU A 13 -3.523 -16.066 0.674 1.00 0.00 C ATOM 186 O GLU A 13 -3.157 -16.991 1.401 1.00 0.00 O ATOM 187 CB GLU A 13 -5.558 -14.867 1.493 1.00 0.00 C ATOM 188 CG GLU A 13 -5.989 -14.517 2.908 1.00 0.00 C ATOM 189 CD GLU A 13 -7.435 -14.876 3.185 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.696 -16.034 3.573 1.00 0.00 O ATOM 191 OE2 GLU A 13 -8.308 -13.999 3.015 1.00 0.00 O ATOM 0 H GLU A 13 -4.557 -13.093 0.112 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.553 -14.604 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.066 -14.204 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.883 -15.882 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.347 -15.038 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.846 -13.449 3.073 1.00 0.00 H new ATOM 198 N SER A 14 -3.514 -16.140 -0.651 1.00 0.00 N ATOM 199 CA SER A 14 -3.046 -17.332 -1.351 1.00 0.00 C ATOM 200 C SER A 14 -1.519 -17.394 -1.368 1.00 0.00 C ATOM 201 O SER A 14 -0.851 -16.361 -1.369 1.00 0.00 O ATOM 202 CB SER A 14 -3.584 -17.345 -2.783 1.00 0.00 C ATOM 203 OG SER A 14 -4.997 -17.437 -2.798 1.00 0.00 O ATOM 0 H SER A 14 -3.826 -15.387 -1.265 1.00 0.00 H new ATOM 0 HA SER A 14 -3.418 -18.207 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.270 -16.438 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.156 -18.187 -3.327 1.00 0.00 H new ATOM 0 HG SER A 14 -5.315 -17.442 -3.725 1.00 0.00 H new ATOM 209 N PRO A 15 -0.943 -18.612 -1.391 1.00 0.00 N ATOM 210 CA PRO A 15 0.513 -18.795 -1.432 1.00 0.00 C ATOM 211 C PRO A 15 1.104 -18.331 -2.758 1.00 0.00 C ATOM 212 O PRO A 15 2.321 -18.343 -2.951 1.00 0.00 O ATOM 213 CB PRO A 15 0.692 -20.305 -1.259 1.00 0.00 C ATOM 214 CG PRO A 15 -0.586 -20.896 -1.748 1.00 0.00 C ATOM 215 CD PRO A 15 -1.660 -19.901 -1.405 1.00 0.00 C ATOM 0 HA PRO A 15 1.024 -18.210 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.543 -20.671 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.875 -20.565 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.548 -21.074 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.779 -21.858 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.462 -19.906 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.114 -20.118 -0.438 1.00 0.00 H new ATOM 223 N ASP A 16 0.225 -17.939 -3.674 1.00 0.00 N ATOM 224 CA ASP A 16 0.637 -17.435 -4.977 1.00 0.00 C ATOM 225 C ASP A 16 0.787 -15.922 -4.919 1.00 0.00 C ATOM 226 O ASP A 16 0.320 -15.200 -5.800 1.00 0.00 O ATOM 227 CB ASP A 16 -0.381 -17.828 -6.051 1.00 0.00 C ATOM 228 CG ASP A 16 -1.810 -17.550 -5.627 1.00 0.00 C ATOM 229 OD1 ASP A 16 -2.139 -16.370 -5.383 1.00 0.00 O ATOM 230 OD2 ASP A 16 -2.601 -18.513 -5.541 1.00 0.00 O ATOM 0 H ASP A 16 -0.785 -17.962 -3.535 1.00 0.00 H new ATOM 0 HA ASP A 16 1.598 -17.878 -5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.165 -17.281 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.273 -18.888 -6.279 1.00 0.00 H new ATOM 235 N VAL A 17 1.448 -15.461 -3.866 1.00 0.00 N ATOM 236 CA VAL A 17 1.650 -14.034 -3.633 1.00 0.00 C ATOM 237 C VAL A 17 2.506 -13.401 -4.734 1.00 0.00 C ATOM 238 O VAL A 17 3.708 -13.192 -4.565 1.00 0.00 O ATOM 239 CB VAL A 17 2.320 -13.796 -2.262 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.681 -12.331 -2.069 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.411 -14.274 -1.141 1.00 0.00 C ATOM 0 H VAL A 17 1.859 -16.061 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 17 0.667 -13.562 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 17 3.245 -14.372 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.151 -12.197 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.374 -12.021 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.778 -11.724 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.896 -14.100 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.470 -13.726 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.215 -15.339 -1.261 1.00 0.00 H new ATOM 251 N ASP A 18 1.879 -13.125 -5.873 1.00 0.00 N ATOM 252 CA ASP A 18 2.565 -12.481 -6.987 1.00 0.00 C ATOM 253 C ASP A 18 2.850 -11.020 -6.658 1.00 0.00 C ATOM 254 O ASP A 18 1.985 -10.162 -6.826 1.00 0.00 O ATOM 255 CB ASP A 18 1.720 -12.570 -8.261 1.00 0.00 C ATOM 256 CG ASP A 18 0.232 -12.520 -7.974 1.00 0.00 C ATOM 257 OD1 ASP A 18 -0.282 -11.416 -7.694 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.419 -13.584 -8.028 1.00 0.00 O ATOM 0 H ASP A 18 0.897 -13.337 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 18 3.509 -12.999 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.986 -11.750 -8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.955 -13.496 -8.785 1.00 0.00 H new ATOM 263 N LEU A 19 4.041 -10.748 -6.136 1.00 0.00 N ATOM 264 CA LEU A 19 4.417 -9.387 -5.769 1.00 0.00 C ATOM 265 C LEU A 19 4.482 -8.485 -6.996 1.00 0.00 C ATOM 266 O LEU A 19 3.979 -7.363 -6.976 1.00 0.00 O ATOM 267 CB LEU A 19 5.760 -9.374 -5.024 1.00 0.00 C ATOM 268 CG LEU A 19 7.008 -9.281 -5.907 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.505 -7.845 -5.976 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.101 -10.201 -5.383 1.00 0.00 C ATOM 0 H LEU A 19 4.760 -11.449 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 19 3.647 -8.999 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.763 -8.531 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.830 -10.280 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 19 6.743 -9.602 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.392 -7.797 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.725 -7.210 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.754 -7.498 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.980 -10.122 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.365 -9.910 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.742 -11.230 -5.385 1.00 0.00 H new ATOM 282 N GLU A 20 5.037 -9.007 -8.085 1.00 0.00 N ATOM 283 CA GLU A 20 5.185 -8.228 -9.306 1.00 0.00 C ATOM 284 C GLU A 20 3.824 -7.942 -9.914 1.00 0.00 C ATOM 285 O GLU A 20 3.578 -6.850 -10.426 1.00 0.00 O ATOM 286 CB GLU A 20 6.061 -8.978 -10.312 1.00 0.00 C ATOM 287 CG GLU A 20 6.051 -8.368 -11.706 1.00 0.00 C ATOM 288 CD GLU A 20 7.074 -7.261 -11.865 1.00 0.00 C ATOM 289 OE1 GLU A 20 8.276 -7.527 -11.649 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.676 -6.128 -12.205 1.00 0.00 O ATOM 0 H GLU A 20 5.390 -9.962 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 20 5.666 -7.282 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.086 -9.000 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.722 -10.012 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.248 -9.148 -12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.058 -7.973 -11.919 1.00 0.00 H new ATOM 297 N ALA A 21 2.936 -8.922 -9.840 1.00 0.00 N ATOM 298 CA ALA A 21 1.584 -8.745 -10.340 1.00 0.00 C ATOM 299 C ALA A 21 0.811 -7.799 -9.434 1.00 0.00 C ATOM 300 O ALA A 21 0.020 -6.976 -9.895 1.00 0.00 O ATOM 301 CB ALA A 21 0.874 -10.085 -10.456 1.00 0.00 C ATOM 0 H ALA A 21 3.127 -9.841 -9.441 1.00 0.00 H new ATOM 0 HA ALA A 21 1.635 -8.306 -11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.137 -9.930 -10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.422 -10.729 -11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.827 -10.558 -9.475 1.00 0.00 H new ATOM 307 N LEU A 22 1.049 -7.933 -8.139 1.00 0.00 N ATOM 308 CA LEU A 22 0.414 -7.080 -7.147 1.00 0.00 C ATOM 309 C LEU A 22 0.888 -5.647 -7.307 1.00 0.00 C ATOM 310 O LEU A 22 0.177 -4.699 -6.979 1.00 0.00 O ATOM 311 CB LEU A 22 0.739 -7.585 -5.739 1.00 0.00 C ATOM 312 CG LEU A 22 -0.473 -7.828 -4.840 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.032 -8.362 -3.487 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.278 -6.550 -4.675 1.00 0.00 C ATOM 0 H LEU A 22 1.683 -8.630 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.665 -7.111 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.301 -8.515 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.393 -6.861 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.110 -8.575 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.907 -8.530 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.502 -9.302 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.626 -7.638 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.137 -6.742 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.651 -5.781 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.624 -6.209 -5.651 1.00 0.00 H new ATOM 326 N LYS A 23 2.101 -5.510 -7.818 1.00 0.00 N ATOM 327 CA LYS A 23 2.711 -4.210 -8.033 1.00 0.00 C ATOM 328 C LYS A 23 1.862 -3.359 -8.966 1.00 0.00 C ATOM 329 O LYS A 23 1.601 -2.188 -8.690 1.00 0.00 O ATOM 330 CB LYS A 23 4.110 -4.390 -8.619 1.00 0.00 C ATOM 331 CG LYS A 23 5.223 -4.080 -7.632 1.00 0.00 C ATOM 332 CD LYS A 23 6.393 -3.388 -8.308 1.00 0.00 C ATOM 333 CE LYS A 23 7.697 -4.127 -8.058 1.00 0.00 C ATOM 334 NZ LYS A 23 8.426 -4.417 -9.323 1.00 0.00 N ATOM 0 H LYS A 23 2.689 -6.296 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 23 2.781 -3.697 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.220 -5.417 -8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.217 -3.744 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.836 -3.446 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.566 -5.004 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.209 -3.325 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.476 -2.366 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.332 -3.531 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.490 -5.062 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.309 -4.922 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.831 -5.008 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.647 -3.524 -9.809 1.00 0.00 H new ATOM 348 N LYS A 24 1.426 -3.960 -10.066 1.00 0.00 N ATOM 349 CA LYS A 24 0.611 -3.249 -11.043 1.00 0.00 C ATOM 350 C LYS A 24 -0.717 -2.835 -10.434 1.00 0.00 C ATOM 351 O LYS A 24 -1.218 -1.743 -10.697 1.00 0.00 O ATOM 352 CB LYS A 24 0.349 -4.111 -12.283 1.00 0.00 C ATOM 353 CG LYS A 24 1.492 -5.037 -12.672 1.00 0.00 C ATOM 354 CD LYS A 24 1.019 -6.127 -13.615 1.00 0.00 C ATOM 355 CE LYS A 24 -0.012 -7.004 -12.937 1.00 0.00 C ATOM 356 NZ LYS A 24 0.285 -8.453 -13.110 1.00 0.00 N ATOM 0 H LYS A 24 1.622 -4.933 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 24 1.167 -2.360 -11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.543 -4.712 -12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.130 -3.454 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.285 -4.460 -13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.919 -5.488 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.591 -5.679 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.867 -6.733 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.047 -6.766 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.999 -6.785 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.329 -9.011 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.111 -8.727 -14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.281 -8.634 -12.870 1.00 0.00 H new ATOM 370 N GLU A 25 -1.306 -3.730 -9.647 1.00 0.00 N ATOM 371 CA GLU A 25 -2.575 -3.450 -9.003 1.00 0.00 C ATOM 372 C GLU A 25 -2.414 -2.330 -8.015 1.00 0.00 C ATOM 373 O GLU A 25 -3.301 -1.495 -7.832 1.00 0.00 O ATOM 374 CB GLU A 25 -3.072 -4.702 -8.299 1.00 0.00 C ATOM 375 CG GLU A 25 -2.957 -4.651 -6.798 1.00 0.00 C ATOM 376 CD GLU A 25 -4.194 -5.171 -6.094 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.108 -4.365 -5.824 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.249 -6.387 -5.809 1.00 0.00 O ATOM 0 H GLU A 25 -0.922 -4.653 -9.443 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.303 -3.148 -9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.116 -4.866 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.509 -5.560 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.093 -5.237 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.774 -3.622 -6.487 1.00 0.00 H new ATOM 385 N ILE A 26 -1.285 -2.360 -7.349 1.00 0.00 N ATOM 386 CA ILE A 26 -0.996 -1.400 -6.313 1.00 0.00 C ATOM 387 C ILE A 26 -1.034 0.020 -6.864 1.00 0.00 C ATOM 388 O ILE A 26 -1.523 0.939 -6.209 1.00 0.00 O ATOM 389 CB ILE A 26 0.373 -1.674 -5.653 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.220 -2.701 -4.529 1.00 0.00 C ATOM 391 CG2 ILE A 26 0.987 -0.389 -5.118 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.452 -3.552 -4.318 1.00 0.00 C ATOM 0 H ILE A 26 -0.546 -3.045 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.768 -1.504 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 26 1.044 -2.078 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.015 -2.180 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.626 -3.350 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.950 -0.610 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.129 0.315 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.322 0.050 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.272 -4.257 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.676 -4.101 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.297 -2.912 -4.062 1.00 0.00 H new ATOM 404 N GLN A 27 -0.491 0.199 -8.062 1.00 0.00 N ATOM 405 CA GLN A 27 -0.489 1.505 -8.699 1.00 0.00 C ATOM 406 C GLN A 27 -1.918 1.967 -8.955 1.00 0.00 C ATOM 407 O GLN A 27 -2.235 3.150 -8.831 1.00 0.00 O ATOM 408 CB GLN A 27 0.297 1.457 -10.011 1.00 0.00 C ATOM 409 CG GLN A 27 1.717 0.940 -9.848 1.00 0.00 C ATOM 410 CD GLN A 27 2.761 1.947 -10.292 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.855 2.281 -11.473 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.554 2.434 -9.344 1.00 0.00 N ATOM 0 H GLN A 27 -0.049 -0.541 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.005 2.218 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.233 0.822 -10.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.330 2.457 -10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.888 0.683 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.834 0.023 -10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.440 2.129 -8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.277 3.113 -9.583 1.00 0.00 H new ATOM 421 N GLU A 28 -2.775 1.017 -9.312 1.00 0.00 N ATOM 422 CA GLU A 28 -4.174 1.311 -9.600 1.00 0.00 C ATOM 423 C GLU A 28 -4.975 1.544 -8.321 1.00 0.00 C ATOM 424 O GLU A 28 -6.021 2.192 -8.345 1.00 0.00 O ATOM 425 CB GLU A 28 -4.799 0.167 -10.398 1.00 0.00 C ATOM 426 CG GLU A 28 -3.883 -0.392 -11.476 1.00 0.00 C ATOM 427 CD GLU A 28 -3.793 0.511 -12.690 1.00 0.00 C ATOM 428 OE1 GLU A 28 -2.923 1.408 -12.698 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.590 0.322 -13.632 1.00 0.00 O ATOM 0 H GLU A 28 -2.524 0.033 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.204 2.227 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.073 -0.636 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.720 0.519 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.886 -0.537 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.246 -1.373 -11.783 1.00 0.00 H new ATOM 436 N ARG A 29 -4.491 0.997 -7.210 1.00 0.00 N ATOM 437 CA ARG A 29 -5.191 1.120 -5.937 1.00 0.00 C ATOM 438 C ARG A 29 -4.770 2.380 -5.181 1.00 0.00 C ATOM 439 O ARG A 29 -5.410 2.758 -4.200 1.00 0.00 O ATOM 440 CB ARG A 29 -4.941 -0.123 -5.076 1.00 0.00 C ATOM 441 CG ARG A 29 -3.572 -0.147 -4.416 1.00 0.00 C ATOM 442 CD ARG A 29 -3.614 -0.810 -3.049 1.00 0.00 C ATOM 443 NE ARG A 29 -3.169 0.103 -2.001 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.914 1.099 -1.530 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.138 1.298 -2.000 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.438 1.895 -0.584 1.00 0.00 N ATOM 0 H ARG A 29 -3.621 0.467 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.257 1.202 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.708 -0.178 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.050 -1.012 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.869 -0.680 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.200 0.873 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.629 -1.144 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.981 -1.697 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.237 -0.030 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.511 0.686 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.706 2.063 -1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.499 1.744 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.011 2.658 -0.224 1.00 0.00 H new ATOM 460 N ILE A 30 -3.697 3.028 -5.634 1.00 0.00 N ATOM 461 CA ILE A 30 -3.218 4.242 -4.976 1.00 0.00 C ATOM 462 C ILE A 30 -4.308 5.313 -4.948 1.00 0.00 C ATOM 463 O ILE A 30 -4.987 5.537 -5.950 1.00 0.00 O ATOM 464 CB ILE A 30 -1.966 4.825 -5.673 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.772 3.877 -5.531 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.623 6.197 -5.101 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.483 3.457 -4.104 1.00 0.00 C ATOM 0 H ILE A 30 -3.149 2.737 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.951 3.957 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.192 4.937 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.956 2.986 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.114 4.361 -5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.740 6.590 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.462 6.876 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.422 6.106 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.376 2.787 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.266 4.339 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.352 2.943 -3.693 1.00 0.00 H new ATOM 479 N PRO A 31 -4.478 6.004 -3.803 1.00 0.00 N ATOM 480 CA PRO A 31 -5.475 7.065 -3.656 1.00 0.00 C ATOM 481 C PRO A 31 -5.483 8.017 -4.851 1.00 0.00 C ATOM 482 O PRO A 31 -4.457 8.605 -5.197 1.00 0.00 O ATOM 483 CB PRO A 31 -5.045 7.803 -2.378 1.00 0.00 C ATOM 484 CG PRO A 31 -3.759 7.178 -1.941 1.00 0.00 C ATOM 485 CD PRO A 31 -3.721 5.814 -2.561 1.00 0.00 C ATOM 0 HA PRO A 31 -6.487 6.665 -3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.913 8.868 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.805 7.711 -1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.907 7.776 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.708 7.112 -0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.700 5.486 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.180 5.064 -1.917 1.00 0.00 H new ATOM 493 N GLU A 32 -6.644 8.141 -5.490 1.00 0.00 N ATOM 494 CA GLU A 32 -6.798 8.998 -6.665 1.00 0.00 C ATOM 495 C GLU A 32 -6.404 10.446 -6.377 1.00 0.00 C ATOM 496 O GLU A 32 -6.363 11.276 -7.286 1.00 0.00 O ATOM 497 CB GLU A 32 -8.244 8.948 -7.165 1.00 0.00 C ATOM 498 CG GLU A 32 -8.457 7.975 -8.312 1.00 0.00 C ATOM 499 CD GLU A 32 -8.877 8.667 -9.594 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.063 9.434 -10.149 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.022 8.443 -10.042 1.00 0.00 O ATOM 0 H GLU A 32 -7.497 7.656 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.126 8.618 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.896 8.670 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.544 9.946 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.536 7.420 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.218 7.248 -8.030 1.00 0.00 H new ATOM 508 N GLY A 33 -6.108 10.748 -5.116 1.00 0.00 N ATOM 509 CA GLY A 33 -5.732 12.100 -4.749 1.00 0.00 C ATOM 510 C GLY A 33 -4.268 12.389 -5.014 1.00 0.00 C ATOM 511 O GLY A 33 -3.935 13.311 -5.758 1.00 0.00 O ATOM 0 H GLY A 33 -6.122 10.082 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.345 12.808 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.944 12.258 -3.692 1.00 0.00 H new ATOM 515 N THR A 34 -3.390 11.598 -4.405 1.00 0.00 N ATOM 516 CA THR A 34 -1.953 11.776 -4.581 1.00 0.00 C ATOM 517 C THR A 34 -1.333 10.567 -5.280 1.00 0.00 C ATOM 518 O THR A 34 -1.968 9.937 -6.127 1.00 0.00 O ATOM 519 CB THR A 34 -1.280 12.007 -3.226 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.245 12.312 -2.234 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.266 13.129 -3.244 1.00 0.00 C ATOM 0 H THR A 34 -3.648 10.829 -3.786 1.00 0.00 H new ATOM 0 HA THR A 34 -1.793 12.651 -5.211 1.00 0.00 H new ATOM 0 HB THR A 34 -0.760 11.076 -2.998 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.899 13.016 -1.646 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.173 13.239 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.519 12.899 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.758 14.059 -3.528 1.00 0.00 H new ATOM 529 N GLU A 35 -0.093 10.246 -4.919 1.00 0.00 N ATOM 530 CA GLU A 35 0.615 9.118 -5.514 1.00 0.00 C ATOM 531 C GLU A 35 1.348 8.317 -4.451 1.00 0.00 C ATOM 532 O GLU A 35 1.369 8.689 -3.277 1.00 0.00 O ATOM 533 CB GLU A 35 1.610 9.611 -6.568 1.00 0.00 C ATOM 534 CG GLU A 35 0.968 10.423 -7.682 1.00 0.00 C ATOM 535 CD GLU A 35 1.858 10.539 -8.903 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.974 11.084 -8.776 1.00 0.00 O ATOM 537 OE2 GLU A 35 1.438 10.085 -9.989 1.00 0.00 O ATOM 0 H GLU A 35 0.443 10.754 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.121 8.471 -5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.372 10.219 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.119 8.752 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.024 9.959 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.734 11.421 -7.311 1.00 0.00 H new ATOM 544 N LEU A 36 1.953 7.220 -4.876 1.00 0.00 N ATOM 545 CA LEU A 36 2.673 6.339 -3.966 1.00 0.00 C ATOM 546 C LEU A 36 4.005 6.948 -3.538 1.00 0.00 C ATOM 547 O LEU A 36 4.314 8.095 -3.863 1.00 0.00 O ATOM 548 CB LEU A 36 2.913 4.979 -4.626 1.00 0.00 C ATOM 549 CG LEU A 36 3.769 5.017 -5.894 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.803 3.901 -5.873 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.892 4.912 -7.132 1.00 0.00 C ATOM 0 H LEU A 36 1.961 6.916 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 36 2.058 6.207 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.392 4.320 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.948 4.535 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 36 4.295 5.971 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.403 3.943 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.451 4.022 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.297 2.937 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.517 4.941 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.338 3.974 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.191 5.746 -7.153 1.00 0.00 H new ATOM 563 N HIS A 37 4.775 6.175 -2.781 1.00 0.00 N ATOM 564 CA HIS A 37 6.072 6.615 -2.283 1.00 0.00 C ATOM 565 C HIS A 37 7.137 5.565 -2.553 1.00 0.00 C ATOM 566 O HIS A 37 7.989 5.725 -3.427 1.00 0.00 O ATOM 567 CB HIS A 37 5.990 6.867 -0.779 1.00 0.00 C ATOM 568 CG HIS A 37 7.269 7.363 -0.182 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.699 8.653 -0.376 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.171 6.705 0.585 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.844 8.755 0.274 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.170 7.600 0.871 1.00 0.00 N ATOM 0 H HIS A 37 4.519 5.230 -2.496 1.00 0.00 H new ATOM 0 HA HIS A 37 6.342 7.535 -2.801 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.202 7.594 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.701 5.942 -0.280 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.114 5.676 0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.441 9.654 0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.003 7.421 1.432 1.00 0.00 H new ATOM 580 N LYS A 38 7.052 4.477 -1.801 1.00 0.00 N ATOM 581 CA LYS A 38 8.001 3.383 -1.909 1.00 0.00 C ATOM 582 C LYS A 38 7.437 2.134 -1.234 1.00 0.00 C ATOM 583 O LYS A 38 6.957 2.190 -0.101 1.00 0.00 O ATOM 584 CB LYS A 38 9.342 3.800 -1.285 1.00 0.00 C ATOM 585 CG LYS A 38 9.863 2.864 -0.204 1.00 0.00 C ATOM 586 CD LYS A 38 10.592 1.671 -0.801 1.00 0.00 C ATOM 587 CE LYS A 38 11.617 1.101 0.167 1.00 0.00 C ATOM 588 NZ LYS A 38 10.997 0.170 1.149 1.00 0.00 N ATOM 0 H LYS A 38 6.325 4.330 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 38 8.172 3.147 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.089 3.869 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.234 4.798 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.537 3.410 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.031 2.514 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.871 0.898 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.089 1.972 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.391 0.576 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.106 1.917 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.167 0.519 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.973 0.115 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.417 -0.776 1.044 1.00 0.00 H new ATOM 602 N ILE A 39 7.447 1.021 -1.961 1.00 0.00 N ATOM 603 CA ILE A 39 6.882 -0.225 -1.460 1.00 0.00 C ATOM 604 C ILE A 39 7.933 -1.105 -0.788 1.00 0.00 C ATOM 605 O ILE A 39 9.124 -1.012 -1.086 1.00 0.00 O ATOM 606 CB ILE A 39 6.201 -1.017 -2.588 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.412 -0.062 -3.492 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.293 -2.086 -1.999 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.433 -0.751 -4.417 1.00 0.00 C ATOM 0 H ILE A 39 7.841 0.958 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 39 6.139 0.052 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 39 6.961 -1.512 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.867 0.646 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.115 0.517 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.815 -2.642 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.884 -2.769 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.529 -1.614 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.917 -0.005 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.971 -1.438 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.705 -1.307 -3.827 1.00 0.00 H new ATOM 621 N ASP A 40 7.474 -1.966 0.118 1.00 0.00 N ATOM 622 CA ASP A 40 8.356 -2.869 0.849 1.00 0.00 C ATOM 623 C ASP A 40 7.994 -4.324 0.580 1.00 0.00 C ATOM 624 O ASP A 40 6.870 -4.746 0.834 1.00 0.00 O ATOM 625 CB ASP A 40 8.254 -2.594 2.348 1.00 0.00 C ATOM 626 CG ASP A 40 9.606 -2.599 3.035 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.618 -2.312 2.360 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.653 -2.889 4.249 1.00 0.00 O ATOM 0 H ASP A 40 6.488 -2.056 0.364 1.00 0.00 H new ATOM 0 HA ASP A 40 9.376 -2.694 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.775 -1.628 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.614 -3.346 2.809 1.00 0.00 H new ATOM 633 N GLU A 41 8.949 -5.087 0.067 1.00 0.00 N ATOM 634 CA GLU A 41 8.728 -6.503 -0.210 1.00 0.00 C ATOM 635 C GLU A 41 9.007 -7.332 1.037 1.00 0.00 C ATOM 636 O GLU A 41 9.989 -8.073 1.098 1.00 0.00 O ATOM 637 CB GLU A 41 9.619 -6.969 -1.364 1.00 0.00 C ATOM 638 CG GLU A 41 9.798 -5.927 -2.456 1.00 0.00 C ATOM 639 CD GLU A 41 11.134 -6.044 -3.164 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.379 -7.090 -3.799 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.935 -5.089 -3.081 1.00 0.00 O ATOM 0 H GLU A 41 9.884 -4.752 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 41 7.686 -6.641 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.598 -7.240 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.190 -7.871 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.995 -6.030 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.708 -4.932 -2.021 1.00 0.00 H new ATOM 648 N GLU A 42 8.161 -7.168 2.047 1.00 0.00 N ATOM 649 CA GLU A 42 8.341 -7.866 3.311 1.00 0.00 C ATOM 650 C GLU A 42 7.467 -9.107 3.395 1.00 0.00 C ATOM 651 O GLU A 42 6.383 -9.145 2.829 1.00 0.00 O ATOM 652 CB GLU A 42 8.048 -6.927 4.474 1.00 0.00 C ATOM 653 CG GLU A 42 9.302 -6.357 5.111 1.00 0.00 C ATOM 654 CD GLU A 42 10.486 -6.318 4.162 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.463 -5.503 3.217 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.435 -7.104 4.366 1.00 0.00 O ATOM 0 H GLU A 42 7.344 -6.558 2.014 1.00 0.00 H new ATOM 0 HA GLU A 42 9.379 -8.192 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.422 -6.107 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.475 -7.463 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.095 -5.348 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.563 -6.955 5.984 1.00 0.00 H new ATOM 663 N PRO A 43 7.933 -10.143 4.111 1.00 0.00 N ATOM 664 CA PRO A 43 7.227 -11.409 4.226 1.00 0.00 C ATOM 665 C PRO A 43 6.324 -11.490 5.449 1.00 0.00 C ATOM 666 O PRO A 43 6.509 -10.765 6.427 1.00 0.00 O ATOM 667 CB PRO A 43 8.363 -12.425 4.329 1.00 0.00 C ATOM 668 CG PRO A 43 9.572 -11.660 4.800 1.00 0.00 C ATOM 669 CD PRO A 43 9.221 -10.189 4.807 1.00 0.00 C ATOM 0 HA PRO A 43 6.552 -11.571 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.110 -13.222 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.552 -12.896 3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.865 -11.987 5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.421 -11.846 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.143 -9.800 5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.976 -9.593 4.294 1.00 0.00 H new ATOM 677 N ILE A 44 5.340 -12.382 5.372 1.00 0.00 N ATOM 678 CA ILE A 44 4.376 -12.567 6.449 1.00 0.00 C ATOM 679 C ILE A 44 4.271 -14.037 6.843 1.00 0.00 C ATOM 680 O ILE A 44 4.894 -14.477 7.810 1.00 0.00 O ATOM 681 CB ILE A 44 2.984 -12.051 6.035 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.128 -10.840 5.104 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.157 -11.700 7.263 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.721 -9.619 5.779 1.00 0.00 C ATOM 0 H ILE A 44 5.190 -12.991 4.568 1.00 0.00 H new ATOM 0 HA ILE A 44 4.731 -11.994 7.305 1.00 0.00 H new ATOM 0 HB ILE A 44 2.461 -12.840 5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.756 -11.117 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.148 -10.582 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.178 -11.338 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.034 -12.587 7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.666 -10.924 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.792 -8.804 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.082 -9.316 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.716 -9.858 6.155 1.00 0.00 H new ATOM 696 N ALA A 45 3.476 -14.792 6.088 1.00 0.00 N ATOM 697 CA ALA A 45 3.293 -16.215 6.346 1.00 0.00 C ATOM 698 C ALA A 45 4.578 -16.995 6.071 1.00 0.00 C ATOM 699 O ALA A 45 5.680 -16.465 6.216 1.00 0.00 O ATOM 700 CB ALA A 45 2.147 -16.756 5.504 1.00 0.00 C ATOM 0 H ALA A 45 2.947 -14.439 5.290 1.00 0.00 H new ATOM 0 HA ALA A 45 3.046 -16.343 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.019 -17.820 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.228 -16.226 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.372 -16.610 4.447 1.00 0.00 H new ATOM 706 N PHE A 46 4.431 -18.253 5.661 1.00 0.00 N ATOM 707 CA PHE A 46 5.581 -19.097 5.359 1.00 0.00 C ATOM 708 C PHE A 46 6.255 -18.644 4.069 1.00 0.00 C ATOM 709 O PHE A 46 7.474 -18.749 3.923 1.00 0.00 O ATOM 710 CB PHE A 46 5.148 -20.559 5.238 1.00 0.00 C ATOM 711 CG PHE A 46 4.102 -20.800 4.186 1.00 0.00 C ATOM 712 CD1 PHE A 46 2.756 -20.658 4.485 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.463 -21.178 2.903 1.00 0.00 C ATOM 714 CE1 PHE A 46 1.791 -20.880 3.521 1.00 0.00 C ATOM 715 CE2 PHE A 46 3.503 -21.403 1.935 1.00 0.00 C ATOM 716 CZ PHE A 46 2.164 -21.254 2.245 1.00 0.00 C ATOM 0 H PHE A 46 3.528 -18.708 5.531 1.00 0.00 H new ATOM 0 HA PHE A 46 6.297 -19.006 6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.023 -21.169 5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.764 -20.895 6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.458 -20.371 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.508 -21.298 2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.746 -20.761 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.798 -21.695 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.411 -21.430 1.491 1.00 0.00 H new ATOM 726 N GLY A 47 5.455 -18.119 3.150 1.00 0.00 N ATOM 727 CA GLY A 47 5.985 -17.647 1.882 1.00 0.00 C ATOM 728 C GLY A 47 5.158 -16.521 1.293 1.00 0.00 C ATOM 729 O GLY A 47 5.399 -16.089 0.165 1.00 0.00 O ATOM 0 H GLY A 47 4.447 -18.011 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.010 -17.305 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.021 -18.476 1.175 1.00 0.00 H new ATOM 733 N LEU A 48 4.192 -16.036 2.066 1.00 0.00 N ATOM 734 CA LEU A 48 3.319 -14.961 1.623 1.00 0.00 C ATOM 735 C LEU A 48 3.902 -13.600 1.997 1.00 0.00 C ATOM 736 O LEU A 48 3.775 -13.147 3.135 1.00 0.00 O ATOM 737 CB LEU A 48 1.929 -15.137 2.241 1.00 0.00 C ATOM 738 CG LEU A 48 1.079 -16.246 1.611 1.00 0.00 C ATOM 739 CD1 LEU A 48 1.683 -17.616 1.875 1.00 0.00 C ATOM 740 CD2 LEU A 48 -0.348 -16.188 2.132 1.00 0.00 C ATOM 0 H LEU A 48 3.995 -16.375 3.008 1.00 0.00 H new ATOM 0 HA LEU A 48 3.234 -15.003 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.044 -15.347 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.389 -14.194 2.159 1.00 0.00 H new ATOM 0 HG LEU A 48 1.064 -16.084 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.059 -18.383 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.685 -17.660 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.739 -17.788 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.936 -16.983 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.346 -16.317 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.787 -15.222 1.883 1.00 0.00 H new ATOM 752 N VAL A 49 4.529 -12.949 1.022 1.00 0.00 N ATOM 753 CA VAL A 49 5.178 -11.661 1.239 1.00 0.00 C ATOM 754 C VAL A 49 4.234 -10.491 0.957 1.00 0.00 C ATOM 755 O VAL A 49 3.680 -10.374 -0.134 1.00 0.00 O ATOM 756 CB VAL A 49 6.430 -11.533 0.343 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.880 -10.084 0.207 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.558 -12.399 0.882 1.00 0.00 C ATOM 0 H VAL A 49 4.601 -13.297 0.066 1.00 0.00 H new ATOM 0 HA VAL A 49 5.467 -11.620 2.289 1.00 0.00 H new ATOM 0 HB VAL A 49 6.163 -11.885 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.763 -10.036 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.078 -9.494 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.121 -9.684 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.433 -12.298 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.811 -12.079 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.240 -13.441 0.900 1.00 0.00 H new ATOM 768 N ALA A 50 4.130 -9.584 1.925 1.00 0.00 N ATOM 769 CA ALA A 50 3.297 -8.399 1.787 1.00 0.00 C ATOM 770 C ALA A 50 4.112 -7.209 1.308 1.00 0.00 C ATOM 771 O ALA A 50 5.265 -7.031 1.701 1.00 0.00 O ATOM 772 CB ALA A 50 2.648 -8.046 3.114 1.00 0.00 C ATOM 0 H ALA A 50 4.617 -9.651 2.819 1.00 0.00 H new ATOM 0 HA ALA A 50 2.527 -8.626 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.029 -7.157 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.027 -8.877 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.421 -7.850 3.856 1.00 0.00 H new ATOM 778 N LEU A 51 3.494 -6.383 0.479 1.00 0.00 N ATOM 779 CA LEU A 51 4.143 -5.189 -0.031 1.00 0.00 C ATOM 780 C LEU A 51 3.594 -3.951 0.670 1.00 0.00 C ATOM 781 O LEU A 51 2.403 -3.652 0.585 1.00 0.00 O ATOM 782 CB LEU A 51 3.952 -5.087 -1.547 1.00 0.00 C ATOM 783 CG LEU A 51 3.744 -6.424 -2.268 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.602 -6.206 -3.767 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.885 -7.387 -1.974 1.00 0.00 C ATOM 0 H LEU A 51 2.540 -6.520 0.145 1.00 0.00 H new ATOM 0 HA LEU A 51 5.212 -5.253 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.093 -4.447 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.824 -4.593 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 51 2.822 -6.869 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.455 -7.166 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.744 -5.562 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.505 -5.733 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.712 -8.327 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.825 -6.951 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.936 -7.574 -0.901 1.00 0.00 H new ATOM 797 N ASN A 52 4.472 -3.250 1.377 1.00 0.00 N ATOM 798 CA ASN A 52 4.086 -2.059 2.118 1.00 0.00 C ATOM 799 C ASN A 52 4.214 -0.829 1.235 1.00 0.00 C ATOM 800 O ASN A 52 5.277 -0.216 1.145 1.00 0.00 O ATOM 801 CB ASN A 52 4.962 -1.910 3.365 1.00 0.00 C ATOM 802 CG ASN A 52 5.250 -3.242 4.033 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.332 -3.452 4.582 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.280 -4.149 3.993 1.00 0.00 N ATOM 0 H ASN A 52 5.461 -3.489 1.452 1.00 0.00 H new ATOM 0 HA ASN A 52 3.046 -2.158 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.903 -1.434 3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.467 -1.249 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.417 -5.061 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.399 -3.933 3.527 1.00 0.00 H new ATOM 811 N VAL A 53 3.111 -0.479 0.594 1.00 0.00 N ATOM 812 CA VAL A 53 3.078 0.644 -0.327 1.00 0.00 C ATOM 813 C VAL A 53 2.819 1.957 0.397 1.00 0.00 C ATOM 814 O VAL A 53 1.679 2.283 0.730 1.00 0.00 O ATOM 815 CB VAL A 53 1.992 0.447 -1.400 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.160 1.461 -2.522 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.025 -0.975 -1.940 1.00 0.00 C ATOM 0 H VAL A 53 2.219 -0.962 0.697 1.00 0.00 H new ATOM 0 HA VAL A 53 4.058 0.688 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 53 1.017 0.610 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.384 1.307 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.077 2.469 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.140 1.334 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.250 -1.095 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.000 -1.173 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.848 -1.678 -1.126 1.00 0.00 H new ATOM 827 N MET A 54 3.881 2.731 0.584 1.00 0.00 N ATOM 828 CA MET A 54 3.778 4.029 1.233 1.00 0.00 C ATOM 829 C MET A 54 3.388 5.092 0.220 1.00 0.00 C ATOM 830 O MET A 54 3.419 4.849 -0.984 1.00 0.00 O ATOM 831 CB MET A 54 5.109 4.399 1.891 1.00 0.00 C ATOM 832 CG MET A 54 5.452 3.545 3.101 1.00 0.00 C ATOM 833 SD MET A 54 7.096 2.814 2.992 1.00 0.00 S ATOM 834 CE MET A 54 6.972 1.516 4.220 1.00 0.00 C ATOM 0 H MET A 54 4.826 2.480 0.294 1.00 0.00 H new ATOM 0 HA MET A 54 3.008 3.973 2.002 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.907 4.306 1.154 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.076 5.446 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.389 4.156 4.001 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.712 2.751 3.202 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.915 0.972 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.754 1.956 5.193 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.171 0.830 3.945 1.00 0.00 H new ATOM 844 N VAL A 55 2.982 6.257 0.712 1.00 0.00 N ATOM 845 CA VAL A 55 2.564 7.343 -0.164 1.00 0.00 C ATOM 846 C VAL A 55 3.089 8.689 0.334 1.00 0.00 C ATOM 847 O VAL A 55 2.923 9.043 1.502 1.00 0.00 O ATOM 848 CB VAL A 55 1.025 7.397 -0.299 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.465 6.011 -0.572 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.379 7.993 0.942 1.00 0.00 C ATOM 0 H VAL A 55 2.934 6.472 1.708 1.00 0.00 H new ATOM 0 HA VAL A 55 2.991 7.144 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 55 0.789 8.045 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.620 6.068 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.888 5.624 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.725 5.345 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.703 8.016 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.628 7.383 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.748 9.007 1.093 1.00 0.00 H new ATOM 860 N VAL A 56 3.771 9.413 -0.546 1.00 0.00 N ATOM 861 CA VAL A 56 4.312 10.722 -0.196 1.00 0.00 C ATOM 862 C VAL A 56 3.384 11.838 -0.671 1.00 0.00 C ATOM 863 O VAL A 56 3.285 12.111 -1.868 1.00 0.00 O ATOM 864 CB VAL A 56 5.729 10.931 -0.771 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.836 10.339 -2.166 1.00 0.00 C ATOM 866 CG2 VAL A 56 6.106 12.406 -0.776 1.00 0.00 C ATOM 0 H VAL A 56 3.962 9.118 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 56 4.383 10.759 0.891 1.00 0.00 H new ATOM 0 HB VAL A 56 6.435 10.409 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.843 10.498 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.627 9.270 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.115 10.824 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.109 12.524 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.396 12.961 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.083 12.791 0.244 1.00 0.00 H new ATOM 876 N VAL A 57 2.701 12.472 0.277 1.00 0.00 N ATOM 877 CA VAL A 57 1.782 13.560 -0.037 1.00 0.00 C ATOM 878 C VAL A 57 2.162 14.822 0.733 1.00 0.00 C ATOM 879 O VAL A 57 3.039 14.789 1.593 1.00 0.00 O ATOM 880 CB VAL A 57 0.320 13.177 0.284 1.00 0.00 C ATOM 881 CG1 VAL A 57 0.058 11.725 -0.081 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.004 13.424 1.751 1.00 0.00 C ATOM 0 H VAL A 57 2.767 12.250 1.270 1.00 0.00 H new ATOM 0 HA VAL A 57 1.859 13.753 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.333 13.811 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.976 11.472 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.236 11.580 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.726 11.080 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.039 13.145 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.658 12.824 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.137 14.480 1.982 1.00 0.00 H new ATOM 892 N GLY A 58 1.510 15.935 0.413 1.00 0.00 N ATOM 893 CA GLY A 58 1.800 17.179 1.101 1.00 0.00 C ATOM 894 C GLY A 58 0.927 18.326 0.635 1.00 0.00 C ATOM 895 O GLY A 58 0.019 18.754 1.348 1.00 0.00 O ATOM 0 H GLY A 58 0.790 15.998 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.663 17.036 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.847 17.439 0.946 1.00 0.00 H new ATOM 899 N ASP A 59 1.204 18.827 -0.566 1.00 0.00 N ATOM 900 CA ASP A 59 0.438 19.934 -1.127 1.00 0.00 C ATOM 901 C ASP A 59 -0.872 19.437 -1.725 1.00 0.00 C ATOM 902 O ASP A 59 -1.643 20.212 -2.290 1.00 0.00 O ATOM 903 CB ASP A 59 1.259 20.657 -2.197 1.00 0.00 C ATOM 904 CG ASP A 59 2.489 21.333 -1.624 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.334 22.179 -0.718 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.608 21.016 -2.079 1.00 0.00 O ATOM 0 H ASP A 59 1.952 18.484 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 59 0.208 20.632 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.564 19.942 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.634 21.403 -2.688 1.00 0.00 H new ATOM 911 N ALA A 60 -1.116 18.137 -1.595 1.00 0.00 N ATOM 912 CA ALA A 60 -2.337 17.529 -2.107 1.00 0.00 C ATOM 913 C ALA A 60 -3.559 18.022 -1.334 1.00 0.00 C ATOM 914 O ALA A 60 -3.561 19.130 -0.798 1.00 0.00 O ATOM 915 CB ALA A 60 -2.235 16.013 -2.042 1.00 0.00 C ATOM 0 H ALA A 60 -0.481 17.483 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.459 17.826 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.153 15.570 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.390 15.679 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.088 15.702 -1.008 1.00 0.00 H new ATOM 921 N GLU A 61 -4.594 17.189 -1.272 1.00 0.00 N ATOM 922 CA GLU A 61 -5.818 17.543 -0.563 1.00 0.00 C ATOM 923 C GLU A 61 -6.466 16.308 0.047 1.00 0.00 C ATOM 924 O GLU A 61 -5.826 15.267 0.194 1.00 0.00 O ATOM 925 CB GLU A 61 -6.802 18.235 -1.509 1.00 0.00 C ATOM 926 CG GLU A 61 -6.571 17.915 -2.978 1.00 0.00 C ATOM 927 CD GLU A 61 -7.081 19.006 -3.901 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.125 19.612 -3.582 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.436 19.252 -4.941 1.00 0.00 O ATOM 0 H GLU A 61 -4.609 16.265 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.556 18.231 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.817 17.944 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.731 19.313 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.505 17.768 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.067 16.976 -3.224 1.00 0.00 H new ATOM 936 N GLY A 62 -7.745 16.425 0.388 1.00 0.00 N ATOM 937 CA GLY A 62 -8.462 15.302 0.953 1.00 0.00 C ATOM 938 C GLY A 62 -8.923 14.342 -0.121 1.00 0.00 C ATOM 939 O GLY A 62 -9.734 13.450 0.133 1.00 0.00 O ATOM 0 H GLY A 62 -8.295 17.277 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.820 14.777 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.324 15.664 1.513 1.00 0.00 H new ATOM 943 N GLY A 63 -8.398 14.528 -1.329 1.00 0.00 N ATOM 944 CA GLY A 63 -8.756 13.667 -2.439 1.00 0.00 C ATOM 945 C GLY A 63 -8.196 12.268 -2.287 1.00 0.00 C ATOM 946 O GLY A 63 -8.523 11.373 -3.067 1.00 0.00 O ATOM 0 H GLY A 63 -7.729 15.263 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.842 13.614 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.389 14.104 -3.368 1.00 0.00 H new ATOM 950 N THR A 64 -7.352 12.078 -1.278 1.00 0.00 N ATOM 951 CA THR A 64 -6.758 10.773 -1.019 1.00 0.00 C ATOM 952 C THR A 64 -7.789 9.838 -0.405 1.00 0.00 C ATOM 953 O THR A 64 -7.525 8.655 -0.195 1.00 0.00 O ATOM 954 CB THR A 64 -5.551 10.901 -0.092 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.958 10.890 1.265 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.746 12.162 -0.322 1.00 0.00 C ATOM 0 H THR A 64 -7.065 12.810 -0.628 1.00 0.00 H new ATOM 0 HA THR A 64 -6.421 10.357 -1.969 1.00 0.00 H new ATOM 0 HB THR A 64 -4.919 10.043 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.171 10.971 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.904 12.188 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.374 12.174 -1.346 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.379 13.033 -0.156 1.00 0.00 H new ATOM 964 N GLU A 65 -8.967 10.385 -0.118 1.00 0.00 N ATOM 965 CA GLU A 65 -10.065 9.603 0.432 1.00 0.00 C ATOM 966 C GLU A 65 -10.366 8.415 -0.467 1.00 0.00 C ATOM 967 O GLU A 65 -10.902 7.398 -0.025 1.00 0.00 O ATOM 968 CB GLU A 65 -11.312 10.473 0.560 1.00 0.00 C ATOM 969 CG GLU A 65 -11.704 11.171 -0.733 1.00 0.00 C ATOM 970 CD GLU A 65 -13.090 10.785 -1.209 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.308 9.590 -1.499 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.960 11.678 -1.294 1.00 0.00 O ATOM 0 H GLU A 65 -9.184 11.372 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.774 9.240 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.144 9.854 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.143 11.224 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.662 12.250 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.977 10.927 -1.508 1.00 0.00 H new ATOM 979 N ALA A 66 -9.993 8.559 -1.730 1.00 0.00 N ATOM 980 CA ALA A 66 -10.219 7.520 -2.727 1.00 0.00 C ATOM 981 C ALA A 66 -9.577 6.205 -2.305 1.00 0.00 C ATOM 982 O ALA A 66 -10.050 5.131 -2.672 1.00 0.00 O ATOM 983 CB ALA A 66 -9.675 7.959 -4.079 1.00 0.00 C ATOM 0 H ALA A 66 -9.529 9.392 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.294 7.361 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.850 7.174 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.180 8.872 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.604 8.147 -3.997 1.00 0.00 H new ATOM 989 N ALA A 67 -8.530 6.293 -1.491 1.00 0.00 N ATOM 990 CA ALA A 67 -7.839 5.105 -1.010 1.00 0.00 C ATOM 991 C ALA A 67 -8.791 4.230 -0.208 1.00 0.00 C ATOM 992 O ALA A 67 -9.012 3.065 -0.544 1.00 0.00 O ATOM 993 CB ALA A 67 -6.635 5.497 -0.168 1.00 0.00 C ATOM 0 H ALA A 67 -8.143 7.174 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.486 4.534 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.129 4.598 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.946 6.088 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.966 6.086 0.688 1.00 0.00 H new ATOM 999 N GLU A 68 -9.386 4.809 0.829 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.343 4.090 1.658 1.00 0.00 C ATOM 1001 C GLU A 68 -11.515 3.595 0.817 1.00 0.00 C ATOM 1002 O GLU A 68 -12.083 2.537 1.088 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.853 4.989 2.785 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.768 5.418 3.759 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.137 5.142 5.204 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.258 3.954 5.568 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.305 6.113 5.970 1.00 0.00 O ATOM 0 H GLU A 68 -9.222 5.774 1.115 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.837 3.229 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.312 5.877 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.634 4.463 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.842 4.896 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.574 6.483 3.635 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.891 4.384 -0.188 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.980 4.017 -1.081 1.00 0.00 C ATOM 1016 C GLU A 69 -12.653 2.724 -1.815 1.00 0.00 C ATOM 1017 O GLU A 69 -13.453 1.788 -1.836 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.245 5.138 -2.088 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.716 5.492 -2.231 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.477 4.489 -3.075 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.781 3.392 -2.563 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.768 4.801 -4.248 1.00 0.00 O ATOM 0 H GLU A 69 -11.455 5.281 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.878 3.863 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.694 6.027 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.855 4.840 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.170 5.548 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.806 6.481 -2.680 1.00 0.00 H new ATOM 1029 N SER A 70 -11.476 2.692 -2.429 1.00 0.00 N ATOM 1030 CA SER A 70 -11.020 1.515 -3.152 1.00 0.00 C ATOM 1031 C SER A 70 -10.832 0.341 -2.202 1.00 0.00 C ATOM 1032 O SER A 70 -10.839 -0.812 -2.621 1.00 0.00 O ATOM 1033 CB SER A 70 -9.709 1.812 -3.882 1.00 0.00 C ATOM 1034 OG SER A 70 -8.594 1.625 -3.026 1.00 0.00 O ATOM 0 H SER A 70 -10.819 3.472 -2.439 1.00 0.00 H new ATOM 0 HA SER A 70 -11.781 1.251 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.617 1.160 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.719 2.837 -4.252 1.00 0.00 H new ATOM 0 HG SER A 70 -8.738 2.114 -2.189 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.687 0.648 -0.915 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.493 -0.380 0.102 1.00 0.00 C ATOM 1042 C LEU A 71 -11.785 -1.147 0.342 1.00 0.00 C ATOM 1043 O LEU A 71 -11.765 -2.314 0.736 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.014 0.253 1.409 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.579 -0.092 1.821 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.418 -1.594 2.001 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.588 0.435 0.794 1.00 0.00 C ATOM 0 H LEU A 71 -10.700 1.601 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.735 -1.077 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.098 1.336 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.687 -0.054 2.209 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.371 0.389 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.392 -1.817 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.100 -1.943 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.646 -2.099 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.574 0.181 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.795 -0.016 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.684 1.518 0.719 1.00 0.00 H new ATOM 1059 N SER A 72 -12.910 -0.485 0.092 1.00 0.00 N ATOM 1060 CA SER A 72 -14.218 -1.102 0.267 1.00 0.00 C ATOM 1061 C SER A 72 -14.401 -2.270 -0.701 1.00 0.00 C ATOM 1062 O SER A 72 -15.286 -3.106 -0.522 1.00 0.00 O ATOM 1063 CB SER A 72 -15.318 -0.060 0.052 1.00 0.00 C ATOM 1064 OG SER A 72 -16.081 -0.351 -1.106 1.00 0.00 O ATOM 0 H SER A 72 -12.941 0.481 -0.233 1.00 0.00 H new ATOM 0 HA SER A 72 -14.285 -1.489 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.972 -0.032 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.871 0.930 -0.043 1.00 0.00 H new ATOM 0 HG SER A 72 -16.777 0.329 -1.218 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.549 -2.319 -1.720 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.613 -3.387 -2.702 1.00 0.00 C ATOM 1072 C GLY A 73 -12.256 -3.669 -3.313 1.00 0.00 C ATOM 1073 O GLY A 73 -12.155 -4.093 -4.465 1.00 0.00 O ATOM 0 H GLY A 73 -12.811 -1.634 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.995 -4.292 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.317 -3.116 -3.489 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.216 -3.421 -2.532 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.841 -3.612 -2.976 1.00 0.00 C ATOM 1079 C ILE A 74 -9.486 -5.100 -3.056 1.00 0.00 C ATOM 1080 O ILE A 74 -10.371 -5.953 -3.085 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.863 -2.875 -2.030 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.587 -2.479 -2.774 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.538 -3.718 -0.804 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.025 -1.145 -2.337 1.00 0.00 C ATOM 0 H ILE A 74 -11.299 -3.082 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.749 -3.190 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.354 -1.965 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.832 -3.250 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.795 -2.444 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.849 -3.172 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.456 -3.932 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.077 -4.654 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.121 -0.927 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.763 -0.363 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.785 -1.182 -1.274 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.186 -5.397 -3.104 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.700 -6.771 -3.166 1.00 0.00 C ATOM 1098 C GLU A 75 -8.328 -7.618 -2.059 1.00 0.00 C ATOM 1099 O GLU A 75 -7.808 -7.696 -0.946 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.170 -6.770 -3.046 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.649 -5.873 -1.936 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.646 -4.852 -2.434 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -3.717 -5.243 -3.171 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.787 -3.661 -2.085 1.00 0.00 O ATOM 0 H GLU A 75 -7.447 -4.694 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.986 -7.210 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.827 -7.789 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.739 -6.448 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.487 -5.356 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.184 -6.488 -1.165 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.470 -8.230 -2.375 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.189 -9.036 -1.401 1.00 0.00 C ATOM 1113 C GLY A 76 -9.402 -10.244 -0.939 1.00 0.00 C ATOM 1114 O GLY A 76 -9.622 -10.752 0.161 1.00 0.00 O ATOM 0 H GLY A 76 -9.911 -8.181 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.437 -8.418 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.132 -9.368 -1.836 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.476 -10.698 -1.773 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.643 -11.841 -1.431 1.00 0.00 C ATOM 1120 C VAL A 77 -6.440 -11.384 -0.628 1.00 0.00 C ATOM 1121 O VAL A 77 -6.011 -12.045 0.316 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.160 -12.583 -2.693 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.004 -11.851 -3.362 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.763 -14.011 -2.349 1.00 0.00 C ATOM 0 H VAL A 77 -8.284 -10.293 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.248 -12.527 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.987 -12.610 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.689 -12.402 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.326 -10.851 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.169 -11.776 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.424 -14.522 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.957 -13.998 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.623 -14.538 -1.935 1.00 0.00 H new ATOM 1134 N SER A 78 -5.945 -10.211 -0.984 1.00 0.00 N ATOM 1135 CA SER A 78 -4.801 -9.623 -0.324 1.00 0.00 C ATOM 1136 C SER A 78 -5.253 -8.645 0.750 1.00 0.00 C ATOM 1137 O SER A 78 -5.449 -7.462 0.476 1.00 0.00 O ATOM 1138 CB SER A 78 -3.925 -8.902 -1.355 1.00 0.00 C ATOM 1139 OG SER A 78 -3.890 -9.615 -2.580 1.00 0.00 O ATOM 0 H SER A 78 -6.328 -9.642 -1.739 1.00 0.00 H new ATOM 0 HA SER A 78 -4.221 -10.415 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.311 -7.897 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.913 -8.793 -0.965 1.00 0.00 H new ATOM 0 HG SER A 78 -3.327 -9.135 -3.222 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.430 -9.132 1.973 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.835 -8.249 3.061 1.00 0.00 C ATOM 1147 C ASN A 79 -4.653 -7.416 3.479 1.00 0.00 C ATOM 1148 O ASN A 79 -3.557 -7.929 3.706 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.384 -9.003 4.268 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.359 -8.157 5.088 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.402 -8.651 5.514 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.035 -6.873 5.316 1.00 0.00 N ATOM 0 H ASN A 79 -5.303 -10.110 2.233 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.644 -7.620 2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.888 -9.908 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.557 -9.318 4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.662 -6.277 5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.162 -6.494 4.948 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.879 -6.129 3.555 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.823 -5.200 3.844 1.00 0.00 C ATOM 1161 C ILE A 80 -3.831 -4.745 5.291 1.00 0.00 C ATOM 1162 O ILE A 80 -4.886 -4.603 5.908 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.967 -3.965 2.953 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.205 -4.373 1.500 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.747 -3.081 3.077 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.586 -4.019 0.994 1.00 0.00 C ATOM 0 H ILE A 80 -5.795 -5.700 3.419 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.883 -5.718 3.652 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.834 -3.395 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.460 -3.890 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.056 -5.448 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.865 -2.207 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.634 -2.760 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.861 -3.638 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.686 -4.337 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.337 -4.524 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.732 -2.941 1.059 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.642 -4.457 5.799 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.498 -3.873 7.112 1.00 0.00 C ATOM 1180 C GLU A 81 -2.633 -2.376 6.936 1.00 0.00 C ATOM 1181 O GLU A 81 -1.649 -1.634 6.954 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.145 -4.231 7.729 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.031 -3.863 9.199 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.426 -4.975 10.033 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -0.762 -6.152 9.787 1.00 0.00 O ATOM 1186 OE2 GLU A 81 0.383 -4.668 10.935 1.00 0.00 O ATOM 0 H GLU A 81 -1.761 -4.622 5.313 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.259 -4.257 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.976 -5.302 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.356 -3.724 7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.420 -2.966 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.020 -3.620 9.587 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.856 -1.971 6.629 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.162 -0.593 6.305 1.00 0.00 C ATOM 1195 C VAL A 82 -4.293 0.250 7.570 1.00 0.00 C ATOM 1196 O VAL A 82 -5.317 0.888 7.818 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.460 -0.525 5.473 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.792 0.915 5.109 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.330 -1.371 4.220 1.00 0.00 C ATOM 0 H VAL A 82 -4.664 -2.593 6.599 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.341 -0.186 5.715 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.275 -0.922 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.711 0.940 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.927 1.499 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.976 1.340 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.254 -1.313 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.502 -1.001 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.141 -2.408 4.499 1.00 0.00 H new ATOM 1209 N THR A 83 -3.260 0.192 8.399 1.00 0.00 N ATOM 1210 CA THR A 83 -3.232 0.952 9.638 1.00 0.00 C ATOM 1211 C THR A 83 -1.902 1.679 9.817 1.00 0.00 C ATOM 1212 O THR A 83 -1.656 2.269 10.869 1.00 0.00 O ATOM 1213 CB THR A 83 -3.477 0.024 10.830 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.402 -0.994 10.493 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.009 0.745 12.049 1.00 0.00 C ATOM 0 H THR A 83 -2.429 -0.376 8.234 1.00 0.00 H new ATOM 0 HA THR A 83 -4.024 1.699 9.588 1.00 0.00 H new ATOM 0 HB THR A 83 -2.501 -0.397 11.074 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.543 -1.577 11.268 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.161 0.030 12.857 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.292 1.503 12.365 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.958 1.222 11.804 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.004 1.565 8.836 1.00 0.00 N ATOM 1224 CA ASP A 84 0.300 2.196 8.950 1.00 0.00 C ATOM 1225 C ASP A 84 0.256 3.646 8.485 1.00 0.00 C ATOM 1226 O ASP A 84 -0.272 3.952 7.417 1.00 0.00 O ATOM 1227 CB ASP A 84 1.339 1.406 8.160 1.00 0.00 C ATOM 1228 CG ASP A 84 1.609 0.039 8.759 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.637 -0.653 9.127 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.796 -0.341 8.859 1.00 0.00 O ATOM 0 H ASP A 84 -1.157 1.049 7.970 1.00 0.00 H new ATOM 0 HA ASP A 84 0.586 2.196 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.996 1.287 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.269 1.973 8.122 1.00 0.00 H new