USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 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 29 CYS SG : rot 139:sc= 0.167 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.192 K(o=0.36,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 71:sc= -1.02! USER MOD Single : A 7 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -1.98 (180deg=-2.25) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS :FLIP no HE2:sc= -0.0241 F(o=-1.6,f=-0.024) USER MOD Single : A 18 SER OG : rot 180:sc= 0.223 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.138 (180deg=-1.25) USER MOD Single : A 37 CYS SG : rot 106:sc= -1.33! USER MOD Single : A 41 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.2!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -167:sc= -1.58! USER MOD Single : A 50 CYS SG : rot -160:sc= -3.6 USER MOD Single : A 52 TYR OH : rot -62:sc= 0.00966 USER MOD Single : A 56 THR OG1 : rot -160:sc= -2.96! USER MOD Single : A 59 THR OG1 : rot 173:sc= -4.2! USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= 0.665 F(o=-0.6,f=0.66) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 82 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.083) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00227 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 82.131 -11.304 -3.659 1.00 0.00 N ATOM 2 CA MET A 1 82.058 -12.245 -2.503 1.00 0.00 C ATOM 3 C MET A 1 82.230 -11.482 -1.188 1.00 0.00 C ATOM 4 O MET A 1 81.426 -11.592 -0.285 1.00 0.00 O ATOM 5 CB MET A 1 83.215 -13.223 -2.712 1.00 0.00 C ATOM 6 CG MET A 1 83.345 -14.129 -1.485 1.00 0.00 C ATOM 7 SD MET A 1 82.637 -15.752 -1.857 1.00 0.00 S ATOM 8 CE MET A 1 84.200 -16.645 -2.035 1.00 0.00 C ATOM 0 H1 MET A 1 82.013 -11.834 -4.546 1.00 0.00 H new ATOM 0 H2 MET A 1 81.376 -10.594 -3.577 1.00 0.00 H new ATOM 0 H3 MET A 1 83.055 -10.828 -3.661 1.00 0.00 H new ATOM 0 HA MET A 1 81.098 -12.757 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 1 83.040 -13.824 -3.604 1.00 0.00 H new ATOM 0 HB3 MET A 1 84.144 -12.675 -2.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 84.393 -14.233 -1.206 1.00 0.00 H new ATOM 0 HG3 MET A 1 82.831 -13.683 -0.634 1.00 0.00 H new ATOM 0 HE1 MET A 1 83.997 -17.690 -2.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 84.785 -16.198 -2.839 1.00 0.00 H new ATOM 0 HE3 MET A 1 84.761 -16.586 -1.102 1.00 0.00 H new ATOM 18 N CYS A 2 83.276 -10.708 -1.073 1.00 0.00 N ATOM 19 CA CYS A 2 83.500 -9.938 0.184 1.00 0.00 C ATOM 20 C CYS A 2 84.884 -9.284 0.164 1.00 0.00 C ATOM 21 O CYS A 2 85.820 -9.806 -0.409 1.00 0.00 O ATOM 22 CB CYS A 2 83.411 -10.972 1.307 1.00 0.00 C ATOM 23 SG CYS A 2 81.915 -10.676 2.281 1.00 0.00 S ATOM 0 H CYS A 2 83.984 -10.576 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 2 82.772 -9.137 0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 2 83.392 -11.978 0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 2 84.292 -10.908 1.945 1.00 0.00 H new ATOM 0 HG CYS A 2 80.869 -10.998 1.579 1.00 0.00 H new ATOM 29 N ALA A 3 85.022 -8.145 0.785 1.00 0.00 N ATOM 30 CA ALA A 3 86.345 -7.460 0.801 1.00 0.00 C ATOM 31 C ALA A 3 86.988 -7.514 -0.588 1.00 0.00 C ATOM 32 O ALA A 3 88.137 -7.880 -0.736 1.00 0.00 O ATOM 33 CB ALA A 3 87.184 -8.244 1.809 1.00 0.00 C ATOM 0 H ALA A 3 84.276 -7.659 1.282 1.00 0.00 H new ATOM 0 HA ALA A 3 86.260 -6.407 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 3 88.177 -7.800 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 3 86.703 -8.212 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 3 87.272 -9.280 1.482 1.00 0.00 H new ATOM 39 N VAL A 4 86.256 -7.150 -1.606 1.00 0.00 N ATOM 40 CA VAL A 4 86.827 -7.178 -2.983 1.00 0.00 C ATOM 41 C VAL A 4 85.983 -6.311 -3.922 1.00 0.00 C ATOM 42 O VAL A 4 85.216 -6.810 -4.721 1.00 0.00 O ATOM 43 CB VAL A 4 86.765 -8.645 -3.411 1.00 0.00 C ATOM 44 CG1 VAL A 4 85.351 -9.184 -3.189 1.00 0.00 C ATOM 45 CG2 VAL A 4 87.124 -8.756 -4.894 1.00 0.00 C ATOM 0 H VAL A 4 85.288 -6.835 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 4 87.844 -6.787 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 4 87.472 -9.226 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 4 85.308 -10.229 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 4 85.093 -9.103 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 4 84.643 -8.604 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 4 87.081 -9.801 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 4 86.416 -8.174 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 4 88.132 -8.372 -5.054 1.00 0.00 H new ATOM 55 N LEU A 5 86.118 -5.017 -3.831 1.00 0.00 N ATOM 56 CA LEU A 5 85.320 -4.123 -4.719 1.00 0.00 C ATOM 57 C LEU A 5 86.157 -2.920 -5.155 1.00 0.00 C ATOM 58 O LEU A 5 87.132 -2.564 -4.523 1.00 0.00 O ATOM 59 CB LEU A 5 84.136 -3.666 -3.864 1.00 0.00 C ATOM 60 CG LEU A 5 83.028 -4.720 -3.918 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.116 -4.564 -2.700 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.206 -4.531 -5.194 1.00 0.00 C ATOM 0 H LEU A 5 86.744 -4.540 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 5 84.997 -4.631 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.456 -3.513 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 5 83.760 -2.709 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 5 83.474 -5.715 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 5 81.327 -5.315 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.700 -4.697 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.671 -3.569 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.417 -5.282 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 5 81.761 -3.536 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 5 82.854 -4.640 -6.064 1.00 0.00 H new ATOM 74 N ARG A 6 85.780 -2.288 -6.231 1.00 0.00 N ATOM 75 CA ARG A 6 86.547 -1.106 -6.712 1.00 0.00 C ATOM 76 C ARG A 6 85.609 0.093 -6.861 1.00 0.00 C ATOM 77 O ARG A 6 85.677 0.838 -7.817 1.00 0.00 O ATOM 78 CB ARG A 6 87.119 -1.524 -8.068 1.00 0.00 C ATOM 79 CG ARG A 6 87.767 -2.905 -7.943 1.00 0.00 C ATOM 80 CD ARG A 6 86.691 -3.985 -8.046 1.00 0.00 C ATOM 81 NE ARG A 6 87.259 -5.013 -8.962 1.00 0.00 N ATOM 82 CZ ARG A 6 86.616 -5.347 -10.048 1.00 0.00 C ATOM 83 NH1 ARG A 6 85.732 -6.307 -10.012 1.00 0.00 N ATOM 84 NH2 ARG A 6 86.857 -4.722 -11.168 1.00 0.00 N ATOM 0 H ARG A 6 84.971 -2.540 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 6 87.336 -0.810 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 6 86.328 -1.548 -8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 6 87.855 -0.794 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 6 88.511 -3.042 -8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 6 88.290 -2.988 -6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 6 86.465 -4.410 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 6 85.760 -3.577 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 6 88.151 -5.456 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 6 85.544 -6.795 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 6 85.229 -6.569 -10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 6 87.548 -3.972 -11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 6 86.354 -4.983 -12.016 1.00 0.00 H new ATOM 98 N GLN A 7 84.730 0.276 -5.914 1.00 0.00 N ATOM 99 CA GLN A 7 83.770 1.418 -5.977 1.00 0.00 C ATOM 100 C GLN A 7 82.666 1.226 -4.933 1.00 0.00 C ATOM 101 O GLN A 7 81.999 0.211 -4.918 1.00 0.00 O ATOM 102 CB GLN A 7 83.181 1.368 -7.386 1.00 0.00 C ATOM 103 CG GLN A 7 83.740 2.526 -8.213 1.00 0.00 C ATOM 104 CD GLN A 7 82.734 3.678 -8.224 1.00 0.00 C ATOM 105 OE1 GLN A 7 81.545 3.464 -8.103 1.00 0.00 O ATOM 106 NE2 GLN A 7 83.165 4.903 -8.362 1.00 0.00 N ATOM 0 H GLN A 7 84.634 -0.321 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 7 84.250 2.375 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.425 0.417 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.094 1.432 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.688 2.862 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 7 83.941 2.195 -9.232 1.00 0.00 H new ATOM 0 HE21 GLN A 7 84.164 5.084 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 7 82.503 5.679 -8.368 1.00 0.00 H new ATOM 115 N PRO A 8 82.507 2.211 -4.090 1.00 0.00 N ATOM 116 CA PRO A 8 81.470 2.140 -3.033 1.00 0.00 C ATOM 117 C PRO A 8 80.072 2.306 -3.639 1.00 0.00 C ATOM 118 O PRO A 8 79.793 3.269 -4.325 1.00 0.00 O ATOM 119 CB PRO A 8 81.813 3.309 -2.115 1.00 0.00 C ATOM 120 CG PRO A 8 82.563 4.274 -2.978 1.00 0.00 C ATOM 121 CD PRO A 8 83.267 3.466 -4.040 1.00 0.00 C ATOM 0 HA PRO A 8 81.457 1.185 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.912 3.765 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.419 2.982 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.882 4.995 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.281 4.842 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.258 3.977 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.311 3.291 -3.782 1.00 0.00 H new ATOM 129 N LYS A 9 79.196 1.372 -3.390 1.00 0.00 N ATOM 130 CA LYS A 9 77.818 1.472 -3.950 1.00 0.00 C ATOM 131 C LYS A 9 76.970 2.425 -3.103 1.00 0.00 C ATOM 132 O LYS A 9 77.012 2.397 -1.890 1.00 0.00 O ATOM 133 CB LYS A 9 77.260 0.050 -3.879 1.00 0.00 C ATOM 134 CG LYS A 9 77.067 -0.495 -5.295 1.00 0.00 C ATOM 135 CD LYS A 9 75.593 -0.385 -5.688 1.00 0.00 C ATOM 136 CE LYS A 9 74.733 -1.106 -4.648 1.00 0.00 C ATOM 137 NZ LYS A 9 73.907 -0.036 -4.023 1.00 0.00 N ATOM 0 H LYS A 9 79.375 0.543 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 9 77.812 1.863 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.942 -0.592 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.310 0.047 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 9 77.684 0.064 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 9 77.390 -1.535 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.300 0.663 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 9 75.435 -0.823 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 9 74.107 -1.867 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 75.351 -1.611 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 73.624 -0.330 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 74.462 0.842 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 73.058 0.129 -4.600 1.00 0.00 H new ATOM 151 N CYS A 10 76.201 3.269 -3.736 1.00 0.00 N ATOM 152 CA CYS A 10 75.353 4.224 -2.967 1.00 0.00 C ATOM 153 C CYS A 10 73.880 3.821 -3.062 1.00 0.00 C ATOM 154 O CYS A 10 73.472 3.127 -3.971 1.00 0.00 O ATOM 155 CB CYS A 10 75.584 5.580 -3.633 1.00 0.00 C ATOM 156 SG CYS A 10 77.363 5.896 -3.757 1.00 0.00 S ATOM 0 H CYS A 10 76.123 3.338 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 10 75.607 4.241 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 10 75.132 5.592 -4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.103 6.368 -3.054 1.00 0.00 H new ATOM 0 HG CYS A 10 77.560 7.048 -4.326 1.00 0.00 H new ATOM 162 N VAL A 11 73.078 4.253 -2.127 1.00 0.00 N ATOM 163 CA VAL A 11 71.630 3.898 -2.158 1.00 0.00 C ATOM 164 C VAL A 11 70.810 4.984 -1.456 1.00 0.00 C ATOM 165 O VAL A 11 71.189 5.486 -0.417 1.00 0.00 O ATOM 166 CB VAL A 11 71.527 2.576 -1.399 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.349 1.510 -2.124 1.00 0.00 C ATOM 168 CG2 VAL A 11 72.071 2.760 0.020 1.00 0.00 C ATOM 0 H VAL A 11 73.364 4.838 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 11 71.247 3.813 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 11 70.484 2.263 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.277 0.566 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.965 1.380 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.392 1.823 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.998 1.818 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 11 73.114 3.071 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.488 3.522 0.537 1.00 0.00 H new ATOM 178 N LYS A 12 69.690 5.350 -2.016 1.00 0.00 N ATOM 179 CA LYS A 12 68.850 6.405 -1.379 1.00 0.00 C ATOM 180 C LYS A 12 67.750 5.766 -0.531 1.00 0.00 C ATOM 181 O LYS A 12 66.798 5.212 -1.044 1.00 0.00 O ATOM 182 CB LYS A 12 68.243 7.184 -2.545 1.00 0.00 C ATOM 183 CG LYS A 12 69.349 7.943 -3.281 1.00 0.00 C ATOM 184 CD LYS A 12 69.455 9.363 -2.726 1.00 0.00 C ATOM 185 CE LYS A 12 70.555 10.121 -3.472 1.00 0.00 C ATOM 186 NZ LYS A 12 69.844 10.877 -4.541 1.00 0.00 N ATOM 0 H LYS A 12 69.320 4.966 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 12 69.428 7.048 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.738 6.502 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.490 7.882 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.300 7.424 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.133 7.975 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.502 9.881 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 12 69.679 9.332 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.094 10.793 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.290 9.436 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.533 11.423 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.346 10.210 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 69.156 11.526 -4.108 1.00 0.00 H new ATOM 200 N LEU A 13 67.870 5.840 0.766 1.00 0.00 N ATOM 201 CA LEU A 13 66.827 5.240 1.644 1.00 0.00 C ATOM 202 C LEU A 13 65.673 6.230 1.837 1.00 0.00 C ATOM 203 O LEU A 13 65.614 6.947 2.816 1.00 0.00 O ATOM 204 CB LEU A 13 67.535 4.968 2.974 1.00 0.00 C ATOM 205 CG LEU A 13 67.365 3.494 3.352 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.601 2.704 2.917 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.194 3.373 4.869 1.00 0.00 C ATOM 0 H LEU A 13 68.644 6.289 1.255 1.00 0.00 H new ATOM 0 HA LEU A 13 66.399 4.331 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.594 5.213 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.121 5.605 3.756 1.00 0.00 H new ATOM 0 HG LEU A 13 66.484 3.093 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.476 1.655 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.725 2.788 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.483 3.105 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.073 2.324 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.075 3.777 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.312 3.932 5.181 1.00 0.00 H new ATOM 219 N ARG A 14 64.758 6.273 0.908 1.00 0.00 N ATOM 220 CA ARG A 14 63.606 7.215 1.030 1.00 0.00 C ATOM 221 C ARG A 14 62.550 6.627 1.970 1.00 0.00 C ATOM 222 O ARG A 14 62.487 5.432 2.172 1.00 0.00 O ATOM 223 CB ARG A 14 63.056 7.346 -0.396 1.00 0.00 C ATOM 224 CG ARG A 14 61.609 7.847 -0.355 1.00 0.00 C ATOM 225 CD ARG A 14 61.579 9.282 0.173 1.00 0.00 C ATOM 226 NE ARG A 14 60.240 9.427 0.806 1.00 0.00 N ATOM 227 CZ ARG A 14 59.686 10.605 0.895 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.205 11.511 1.677 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.614 10.876 0.202 1.00 0.00 N ATOM 0 H ARG A 14 64.757 5.696 0.067 1.00 0.00 H new ATOM 0 HA ARG A 14 63.894 8.182 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.673 8.037 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.102 6.382 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.171 7.806 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.007 7.201 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.378 9.455 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.716 10.003 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 14 59.756 8.606 1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.043 11.298 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.773 12.432 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.209 10.167 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.181 11.797 0.272 1.00 0.00 H new ATOM 243 N ALA A 15 61.720 7.455 2.548 1.00 0.00 N ATOM 244 CA ALA A 15 60.675 6.927 3.473 1.00 0.00 C ATOM 245 C ALA A 15 59.367 7.707 3.308 1.00 0.00 C ATOM 246 O ALA A 15 59.329 8.913 3.459 1.00 0.00 O ATOM 247 CB ALA A 15 61.246 7.129 4.877 1.00 0.00 C ATOM 0 H ALA A 15 61.720 8.467 2.421 1.00 0.00 H new ATOM 0 HA ALA A 15 60.444 5.881 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.533 6.764 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.181 6.578 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.431 8.190 5.045 1.00 0.00 H new ATOM 253 N LEU A 16 58.296 7.027 3.003 1.00 0.00 N ATOM 254 CA LEU A 16 56.990 7.725 2.833 1.00 0.00 C ATOM 255 C LEU A 16 56.427 8.130 4.197 1.00 0.00 C ATOM 256 O LEU A 16 55.593 9.008 4.299 1.00 0.00 O ATOM 257 CB LEU A 16 56.077 6.702 2.158 1.00 0.00 C ATOM 258 CG LEU A 16 55.703 7.202 0.763 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.161 6.040 -0.070 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.630 8.286 0.885 1.00 0.00 C ATOM 0 H LEU A 16 58.269 6.017 2.864 1.00 0.00 H new ATOM 0 HA LEU A 16 57.083 8.637 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.581 5.738 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.178 6.550 2.755 1.00 0.00 H new ATOM 0 HG LEU A 16 56.586 7.614 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.895 6.398 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.924 5.266 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.277 5.626 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.361 8.645 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.748 7.871 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.016 9.115 1.478 1.00 0.00 H new ATOM 272 N HIS A 17 56.879 7.499 5.246 1.00 0.00 N ATOM 273 CA HIS A 17 56.374 7.852 6.603 1.00 0.00 C ATOM 274 C HIS A 17 57.072 9.119 7.105 1.00 0.00 C ATOM 275 O HIS A 17 56.793 9.610 8.181 1.00 0.00 O ATOM 276 CB HIS A 17 56.734 6.654 7.483 1.00 0.00 C ATOM 277 CG HIS A 17 55.925 6.697 8.751 1.00 0.00 C ATOM 278 ND1 HIS A 17 55.928 7.567 9.813 1.00 0.00 N flip ATOM 279 CD2 HIS A 17 54.956 5.749 9.041 1.00 0.00 C flip ATOM 280 CE1 HIS A 17 54.978 7.168 10.749 1.00 0.00 C flip ATOM 281 NE2 HIS A 17 54.421 6.068 10.234 1.00 0.00 N flip ATOM 0 H HIS A 17 57.576 6.755 5.222 1.00 0.00 H new ATOM 0 HA HIS A 17 55.303 8.052 6.611 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.539 5.725 6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.798 6.670 7.718 1.00 0.00 H new ATOM 0 HD1 HIS A 17 56.534 8.382 9.903 1.00 0.00 H new ATOM 0 HD2 HIS A 17 54.681 4.908 8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 17 54.742 7.645 11.689 1.00 0.00 H new ATOM 289 N SER A 18 57.975 9.651 6.328 1.00 0.00 N ATOM 290 CA SER A 18 58.692 10.888 6.749 1.00 0.00 C ATOM 291 C SER A 18 58.614 11.939 5.641 1.00 0.00 C ATOM 292 O SER A 18 57.770 11.872 4.768 1.00 0.00 O ATOM 293 CB SER A 18 60.139 10.450 6.970 1.00 0.00 C ATOM 294 OG SER A 18 60.888 11.547 7.474 1.00 0.00 O ATOM 0 H SER A 18 58.248 9.281 5.417 1.00 0.00 H new ATOM 0 HA SER A 18 58.261 11.334 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.176 9.616 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.572 10.098 6.034 1.00 0.00 H new ATOM 0 HG SER A 18 61.817 11.270 7.619 1.00 0.00 H new ATOM 300 N ALA A 19 59.484 12.910 5.667 1.00 0.00 N ATOM 301 CA ALA A 19 59.454 13.962 4.612 1.00 0.00 C ATOM 302 C ALA A 19 60.807 14.047 3.902 1.00 0.00 C ATOM 303 O ALA A 19 61.278 15.118 3.574 1.00 0.00 O ATOM 304 CB ALA A 19 59.158 15.262 5.359 1.00 0.00 C ATOM 0 H ALA A 19 60.213 13.021 6.372 1.00 0.00 H new ATOM 0 HA ALA A 19 58.709 13.752 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.119 16.089 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.199 15.178 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 59.944 15.448 6.091 1.00 0.00 H new ATOM 310 N CYS A 20 61.440 12.930 3.660 1.00 0.00 N ATOM 311 CA CYS A 20 62.760 12.964 2.969 1.00 0.00 C ATOM 312 C CYS A 20 63.319 11.548 2.800 1.00 0.00 C ATOM 313 O CYS A 20 62.600 10.567 2.848 1.00 0.00 O ATOM 314 CB CYS A 20 63.663 13.788 3.887 1.00 0.00 C ATOM 315 SG CYS A 20 64.640 14.943 2.894 1.00 0.00 S ATOM 0 H CYS A 20 61.102 12.001 3.910 1.00 0.00 H new ATOM 0 HA CYS A 20 62.687 13.392 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.060 14.335 4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.323 13.130 4.452 1.00 0.00 H new ATOM 0 HG CYS A 20 65.406 15.646 3.674 1.00 0.00 H new ATOM 321 N LYS A 21 64.605 11.440 2.598 1.00 0.00 N ATOM 322 CA LYS A 21 65.229 10.099 2.420 1.00 0.00 C ATOM 323 C LYS A 21 66.594 10.058 3.114 1.00 0.00 C ATOM 324 O LYS A 21 66.894 10.875 3.961 1.00 0.00 O ATOM 325 CB LYS A 21 65.395 9.940 0.907 1.00 0.00 C ATOM 326 CG LYS A 21 66.440 10.937 0.403 1.00 0.00 C ATOM 327 CD LYS A 21 65.870 11.720 -0.781 1.00 0.00 C ATOM 328 CE LYS A 21 65.539 10.753 -1.921 1.00 0.00 C ATOM 329 NZ LYS A 21 64.227 11.221 -2.452 1.00 0.00 N ATOM 0 H LYS A 21 65.252 12.227 2.549 1.00 0.00 H new ATOM 0 HA LYS A 21 64.626 9.300 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.703 8.922 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.442 10.110 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.721 11.621 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.345 10.410 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.974 12.260 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.591 12.465 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 66.308 10.774 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.476 9.726 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.932 10.607 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 63.513 11.183 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 64.319 12.199 -2.792 1.00 0.00 H new ATOM 343 N PHE A 22 67.421 9.114 2.760 1.00 0.00 N ATOM 344 CA PHE A 22 68.766 9.024 3.399 1.00 0.00 C ATOM 345 C PHE A 22 69.804 8.527 2.390 1.00 0.00 C ATOM 346 O PHE A 22 69.936 7.343 2.153 1.00 0.00 O ATOM 347 CB PHE A 22 68.600 8.014 4.535 1.00 0.00 C ATOM 348 CG PHE A 22 69.903 7.883 5.287 1.00 0.00 C ATOM 349 CD1 PHE A 22 70.619 9.029 5.654 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.395 6.615 5.618 1.00 0.00 C ATOM 351 CE1 PHE A 22 71.828 8.907 6.351 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.604 6.492 6.314 1.00 0.00 C ATOM 353 CZ PHE A 22 72.319 7.638 6.681 1.00 0.00 C ATOM 0 H PHE A 22 67.225 8.401 2.057 1.00 0.00 H new ATOM 0 HA PHE A 22 69.113 9.992 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 22 67.809 8.338 5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.300 7.046 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.239 10.007 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 22 69.842 5.731 5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 22 72.381 9.791 6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 22 71.984 5.514 6.567 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.250 7.543 7.219 1.00 0.00 H new ATOM 363 N GLY A 23 70.547 9.422 1.798 1.00 0.00 N ATOM 364 CA GLY A 23 71.579 8.999 0.810 1.00 0.00 C ATOM 365 C GLY A 23 72.741 8.333 1.549 1.00 0.00 C ATOM 366 O GLY A 23 73.582 8.993 2.125 1.00 0.00 O ATOM 0 H GLY A 23 70.484 10.428 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.146 8.306 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.937 9.862 0.248 1.00 0.00 H new ATOM 370 N VAL A 24 72.793 7.029 1.540 1.00 0.00 N ATOM 371 CA VAL A 24 73.899 6.324 2.249 1.00 0.00 C ATOM 372 C VAL A 24 74.762 5.549 1.249 1.00 0.00 C ATOM 373 O VAL A 24 74.285 5.084 0.235 1.00 0.00 O ATOM 374 CB VAL A 24 73.195 5.378 3.228 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.727 4.113 2.502 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.164 4.994 4.348 1.00 0.00 C ATOM 0 H VAL A 24 72.119 6.422 1.073 1.00 0.00 H new ATOM 0 HA VAL A 24 74.571 7.010 2.765 1.00 0.00 H new ATOM 0 HB VAL A 24 72.326 5.885 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.229 3.450 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.031 4.385 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.588 3.602 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 24 73.665 4.321 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.034 4.495 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.484 5.892 4.876 1.00 0.00 H new ATOM 386 N ALA A 25 76.030 5.404 1.526 1.00 0.00 N ATOM 387 CA ALA A 25 76.918 4.659 0.586 1.00 0.00 C ATOM 388 C ALA A 25 77.816 3.691 1.360 1.00 0.00 C ATOM 389 O ALA A 25 78.039 3.846 2.544 1.00 0.00 O ATOM 390 CB ALA A 25 77.757 5.732 -0.105 1.00 0.00 C ATOM 0 H ALA A 25 76.489 5.768 2.361 1.00 0.00 H new ATOM 0 HA ALA A 25 76.351 4.063 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.438 5.261 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.100 6.422 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.333 6.280 0.641 1.00 0.00 H new ATOM 396 N ALA A 26 78.337 2.694 0.697 1.00 0.00 N ATOM 397 CA ALA A 26 79.224 1.717 1.392 1.00 0.00 C ATOM 398 C ALA A 26 79.661 0.620 0.419 1.00 0.00 C ATOM 399 O ALA A 26 78.857 0.049 -0.291 1.00 0.00 O ATOM 400 CB ALA A 26 78.368 1.129 2.512 1.00 0.00 C ATOM 0 H ALA A 26 78.187 2.514 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 26 80.131 2.183 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 26 78.952 0.399 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.047 1.927 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.493 0.641 2.083 1.00 0.00 H new ATOM 406 N ARG A 27 80.929 0.320 0.383 1.00 0.00 N ATOM 407 CA ARG A 27 81.418 -0.739 -0.544 1.00 0.00 C ATOM 408 C ARG A 27 80.515 -1.973 -0.461 1.00 0.00 C ATOM 409 O ARG A 27 79.975 -2.426 -1.451 1.00 0.00 O ATOM 410 CB ARG A 27 82.828 -1.070 -0.055 1.00 0.00 C ATOM 411 CG ARG A 27 83.717 0.167 -0.186 1.00 0.00 C ATOM 412 CD ARG A 27 84.330 0.208 -1.588 1.00 0.00 C ATOM 413 NE ARG A 27 85.206 -0.994 -1.657 1.00 0.00 N ATOM 414 CZ ARG A 27 86.217 -1.112 -0.838 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.291 -0.393 -1.019 1.00 0.00 N ATOM 416 NH2 ARG A 27 86.152 -1.949 0.161 1.00 0.00 N ATOM 0 H ARG A 27 81.648 0.762 0.955 1.00 0.00 H new ATOM 0 HA ARG A 27 81.413 -0.414 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 27 82.796 -1.400 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.243 -1.892 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.132 1.069 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.505 0.143 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 27 83.559 0.180 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.902 1.123 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 27 85.017 -1.725 -2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 27 87.341 0.261 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.080 -0.485 -0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 27 85.312 -2.511 0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 27 86.941 -2.042 0.801 1.00 0.00 H new ATOM 430 N SER A 28 80.347 -2.519 0.711 1.00 0.00 N ATOM 431 CA SER A 28 79.479 -3.722 0.853 1.00 0.00 C ATOM 432 C SER A 28 78.011 -3.301 0.948 1.00 0.00 C ATOM 433 O SER A 28 77.531 -2.923 1.999 1.00 0.00 O ATOM 434 CB SER A 28 79.933 -4.391 2.151 1.00 0.00 C ATOM 435 OG SER A 28 81.204 -3.877 2.526 1.00 0.00 O ATOM 0 H SER A 28 80.772 -2.185 1.576 1.00 0.00 H new ATOM 0 HA SER A 28 79.563 -4.396 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.206 -4.207 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.990 -5.471 2.016 1.00 0.00 H new ATOM 0 HG SER A 28 81.496 -4.303 3.359 1.00 0.00 H new ATOM 441 N CYS A 29 77.298 -3.357 -0.145 1.00 0.00 N ATOM 442 CA CYS A 29 75.859 -2.957 -0.126 1.00 0.00 C ATOM 443 C CYS A 29 75.179 -3.461 1.151 1.00 0.00 C ATOM 444 O CYS A 29 74.224 -2.880 1.626 1.00 0.00 O ATOM 445 CB CYS A 29 75.247 -3.625 -1.357 1.00 0.00 C ATOM 446 SG CYS A 29 75.419 -5.421 -1.220 1.00 0.00 S ATOM 0 H CYS A 29 77.650 -3.663 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 29 75.734 -1.874 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.194 -3.356 -1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 29 75.743 -3.270 -2.260 1.00 0.00 H new ATOM 0 HG CYS A 29 74.325 -5.994 -1.626 1.00 0.00 H new ATOM 452 N GLN A 30 75.665 -4.535 1.712 1.00 0.00 N ATOM 453 CA GLN A 30 75.043 -5.067 2.958 1.00 0.00 C ATOM 454 C GLN A 30 75.159 -4.040 4.086 1.00 0.00 C ATOM 455 O GLN A 30 74.341 -3.990 4.982 1.00 0.00 O ATOM 456 CB GLN A 30 75.845 -6.325 3.296 1.00 0.00 C ATOM 457 CG GLN A 30 75.644 -7.369 2.197 1.00 0.00 C ATOM 458 CD GLN A 30 76.858 -7.368 1.265 1.00 0.00 C ATOM 459 OE1 GLN A 30 77.647 -6.444 1.277 1.00 0.00 O ATOM 460 NE2 GLN A 30 77.040 -8.371 0.450 1.00 0.00 N ATOM 0 H GLN A 30 76.463 -5.065 1.363 1.00 0.00 H new ATOM 0 HA GLN A 30 73.982 -5.282 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.903 -6.080 3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 30 75.524 -6.727 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.512 -8.357 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.738 -7.148 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 30 76.378 -9.147 0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 30 77.845 -8.379 -0.177 1.00 0.00 H new ATOM 469 N GLU A 31 76.171 -3.217 4.049 1.00 0.00 N ATOM 470 CA GLU A 31 76.339 -2.192 5.118 1.00 0.00 C ATOM 471 C GLU A 31 75.205 -1.169 5.053 1.00 0.00 C ATOM 472 O GLU A 31 74.632 -0.796 6.057 1.00 0.00 O ATOM 473 CB GLU A 31 77.681 -1.524 4.823 1.00 0.00 C ATOM 474 CG GLU A 31 78.445 -1.314 6.132 1.00 0.00 C ATOM 475 CD GLU A 31 79.782 -0.632 5.839 1.00 0.00 C ATOM 476 OE1 GLU A 31 80.124 -0.519 4.674 1.00 0.00 O ATOM 477 OE2 GLU A 31 80.441 -0.234 6.785 1.00 0.00 O ATOM 0 H GLU A 31 76.889 -3.210 3.325 1.00 0.00 H new ATOM 0 HA GLU A 31 76.314 -2.630 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.266 -2.144 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.522 -0.568 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 31 77.855 -0.703 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 31 78.613 -2.272 6.625 1.00 0.00 H new ATOM 484 N LEU A 32 74.880 -0.714 3.877 1.00 0.00 N ATOM 485 CA LEU A 32 73.782 0.285 3.743 1.00 0.00 C ATOM 486 C LEU A 32 72.442 -0.354 4.111 1.00 0.00 C ATOM 487 O LEU A 32 71.581 0.279 4.688 1.00 0.00 O ATOM 488 CB LEU A 32 73.795 0.698 2.273 1.00 0.00 C ATOM 489 CG LEU A 32 75.101 1.429 1.959 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.032 2.021 0.549 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.311 2.555 2.975 1.00 0.00 C ATOM 0 H LEU A 32 75.326 -0.990 3.002 1.00 0.00 H new ATOM 0 HA LEU A 32 73.919 1.140 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.696 -0.181 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 72.944 1.344 2.058 1.00 0.00 H new ATOM 0 HG LEU A 32 75.932 0.726 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 75.964 2.542 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 32 74.882 1.220 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.201 2.724 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.242 3.077 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.479 3.257 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.362 2.134 3.979 1.00 0.00 H new ATOM 503 N LEU A 33 72.259 -1.605 3.787 1.00 0.00 N ATOM 504 CA LEU A 33 70.974 -2.279 4.127 1.00 0.00 C ATOM 505 C LEU A 33 70.827 -2.373 5.647 1.00 0.00 C ATOM 506 O LEU A 33 69.903 -1.836 6.226 1.00 0.00 O ATOM 507 CB LEU A 33 71.078 -3.673 3.508 1.00 0.00 C ATOM 508 CG LEU A 33 71.228 -3.547 1.992 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.322 -4.939 1.367 1.00 0.00 C ATOM 510 CD2 LEU A 33 70.012 -2.813 1.423 1.00 0.00 C ATOM 0 H LEU A 33 72.942 -2.188 3.303 1.00 0.00 H new ATOM 0 HA LEU A 33 70.106 -1.737 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.933 -4.205 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.190 -4.257 3.749 1.00 0.00 H new ATOM 0 HG LEU A 33 72.135 -2.987 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.429 -4.846 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.187 -5.463 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.417 -5.502 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.115 -2.721 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.107 -3.375 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.946 -1.820 1.867 1.00 0.00 H new ATOM 522 N ARG A 34 71.736 -3.047 6.298 1.00 0.00 N ATOM 523 CA ARG A 34 71.652 -3.165 7.782 1.00 0.00 C ATOM 524 C ARG A 34 71.584 -1.772 8.407 1.00 0.00 C ATOM 525 O ARG A 34 70.567 -1.366 8.934 1.00 0.00 O ATOM 526 CB ARG A 34 72.938 -3.884 8.196 1.00 0.00 C ATOM 527 CG ARG A 34 72.795 -4.406 9.626 1.00 0.00 C ATOM 528 CD ARG A 34 71.547 -5.287 9.726 1.00 0.00 C ATOM 529 NE ARG A 34 71.733 -6.074 10.976 1.00 0.00 N ATOM 530 CZ ARG A 34 72.721 -6.922 11.074 1.00 0.00 C ATOM 531 NH1 ARG A 34 72.581 -8.142 10.632 1.00 0.00 N ATOM 532 NH2 ARG A 34 73.849 -6.548 11.611 1.00 0.00 N ATOM 0 H ARG A 34 72.531 -3.520 5.868 1.00 0.00 H new ATOM 0 HA ARG A 34 70.765 -3.707 8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.140 -4.711 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.786 -3.202 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.680 -4.978 9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.721 -3.572 10.323 1.00 0.00 H new ATOM 0 HD2 ARG A 34 70.640 -4.684 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 34 71.454 -5.940 8.858 1.00 0.00 H new ATOM 0 HE ARG A 34 71.088 -5.951 11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 34 71.699 -8.433 10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 34 73.353 -8.804 10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 34 73.959 -5.594 11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 34 74.621 -7.210 11.688 1.00 0.00 H new ATOM 546 N LYS A 35 72.653 -1.032 8.341 1.00 0.00 N ATOM 547 CA LYS A 35 72.641 0.340 8.919 1.00 0.00 C ATOM 548 C LYS A 35 71.364 1.062 8.485 1.00 0.00 C ATOM 549 O LYS A 35 70.846 1.910 9.183 1.00 0.00 O ATOM 550 CB LYS A 35 73.874 1.032 8.338 1.00 0.00 C ATOM 551 CG LYS A 35 75.139 0.359 8.876 1.00 0.00 C ATOM 552 CD LYS A 35 76.326 0.714 7.979 1.00 0.00 C ATOM 553 CE LYS A 35 76.584 2.221 8.046 1.00 0.00 C ATOM 554 NZ LYS A 35 76.977 2.484 9.459 1.00 0.00 N ATOM 0 H LYS A 35 73.534 -1.316 7.913 1.00 0.00 H new ATOM 0 HA LYS A 35 72.662 0.337 10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.855 0.978 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.870 2.089 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.331 0.686 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 35 75.004 -0.722 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.213 0.168 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.121 0.415 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.374 2.517 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.693 2.786 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.784 3.140 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 76.175 2.906 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 77.246 1.590 9.917 1.00 0.00 H new ATOM 568 N GLY A 36 70.852 0.721 7.334 1.00 0.00 N ATOM 569 CA GLY A 36 69.605 1.374 6.847 1.00 0.00 C ATOM 570 C GLY A 36 68.477 1.102 7.839 1.00 0.00 C ATOM 571 O GLY A 36 67.814 2.009 8.301 1.00 0.00 O ATOM 0 H GLY A 36 71.245 0.017 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.760 2.448 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.340 0.990 5.862 1.00 0.00 H new ATOM 575 N CYS A 37 68.254 -0.140 8.178 1.00 0.00 N ATOM 576 CA CYS A 37 67.168 -0.454 9.148 1.00 0.00 C ATOM 577 C CYS A 37 67.529 0.100 10.526 1.00 0.00 C ATOM 578 O CYS A 37 66.689 0.226 11.395 1.00 0.00 O ATOM 579 CB CYS A 37 67.086 -1.978 9.194 1.00 0.00 C ATOM 580 SG CYS A 37 65.838 -2.469 10.410 1.00 0.00 S ATOM 0 H CYS A 37 68.774 -0.945 7.827 1.00 0.00 H new ATOM 0 HA CYS A 37 66.216 -0.010 8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.827 -2.370 8.211 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.056 -2.399 9.460 1.00 0.00 H new ATOM 0 HG CYS A 37 64.775 -2.893 9.794 1.00 0.00 H new ATOM 586 N VAL A 38 68.775 0.433 10.733 1.00 0.00 N ATOM 587 CA VAL A 38 69.188 0.982 12.055 1.00 0.00 C ATOM 588 C VAL A 38 68.861 2.476 12.122 1.00 0.00 C ATOM 589 O VAL A 38 68.209 2.938 13.037 1.00 0.00 O ATOM 590 CB VAL A 38 70.698 0.754 12.128 1.00 0.00 C ATOM 591 CG1 VAL A 38 71.269 1.499 13.336 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.979 -0.743 12.275 1.00 0.00 C ATOM 0 H VAL A 38 69.523 0.348 10.045 1.00 0.00 H new ATOM 0 HA VAL A 38 68.669 0.504 12.886 1.00 0.00 H new ATOM 0 HB VAL A 38 71.166 1.126 11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.346 1.336 13.388 1.00 0.00 H new ATOM 0 HG12 VAL A 38 71.067 2.565 13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.801 1.127 14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 72.055 -0.908 12.327 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.511 -1.113 13.187 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.572 -1.276 11.416 1.00 0.00 H new ATOM 602 N ARG A 39 69.301 3.233 11.155 1.00 0.00 N ATOM 603 CA ARG A 39 69.006 4.694 11.160 1.00 0.00 C ATOM 604 C ARG A 39 67.505 4.919 10.964 1.00 0.00 C ATOM 605 O ARG A 39 66.908 5.777 11.584 1.00 0.00 O ATOM 606 CB ARG A 39 69.792 5.265 9.979 1.00 0.00 C ATOM 607 CG ARG A 39 69.347 6.707 9.721 1.00 0.00 C ATOM 608 CD ARG A 39 69.572 7.544 10.983 1.00 0.00 C ATOM 609 NE ARG A 39 71.041 7.491 11.221 1.00 0.00 N ATOM 610 CZ ARG A 39 71.726 8.597 11.322 1.00 0.00 C ATOM 611 NH1 ARG A 39 71.760 9.437 10.324 1.00 0.00 N ATOM 612 NH2 ARG A 39 72.379 8.862 12.420 1.00 0.00 N ATOM 0 H ARG A 39 69.852 2.904 10.362 1.00 0.00 H new ATOM 0 HA ARG A 39 69.285 5.172 12.099 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.861 5.235 10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.626 4.657 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 39 69.909 7.129 8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 39 68.294 6.729 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 39 69.231 8.570 10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 39 69.020 7.138 11.830 1.00 0.00 H new ATOM 0 HE ARG A 39 71.512 6.590 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 39 71.251 9.229 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 39 72.295 10.302 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 39 72.354 8.205 13.199 1.00 0.00 H new ATOM 0 HH22 ARG A 39 72.914 9.727 12.499 1.00 0.00 H new ATOM 626 N PHE A 40 66.890 4.147 10.109 1.00 0.00 N ATOM 627 CA PHE A 40 65.427 4.306 9.875 1.00 0.00 C ATOM 628 C PHE A 40 64.645 3.546 10.949 1.00 0.00 C ATOM 629 O PHE A 40 63.482 3.801 11.186 1.00 0.00 O ATOM 630 CB PHE A 40 65.182 3.696 8.495 1.00 0.00 C ATOM 631 CG PHE A 40 65.196 4.788 7.452 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.974 5.935 7.645 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.426 4.651 6.293 1.00 0.00 C ATOM 634 CE1 PHE A 40 65.982 6.946 6.675 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.433 5.661 5.323 1.00 0.00 C ATOM 636 CZ PHE A 40 65.210 6.808 5.515 1.00 0.00 C ATOM 0 H PHE A 40 67.339 3.412 9.562 1.00 0.00 H new ATOM 0 HA PHE A 40 65.105 5.346 9.921 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.950 2.955 8.272 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.224 3.177 8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.568 6.041 8.541 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.825 3.766 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.583 7.831 6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 40 63.839 5.554 4.427 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.215 7.588 4.768 1.00 0.00 H new ATOM 646 N GLN A 41 65.285 2.613 11.601 1.00 0.00 N ATOM 647 CA GLN A 41 64.595 1.829 12.666 1.00 0.00 C ATOM 648 C GLN A 41 63.394 1.077 12.088 1.00 0.00 C ATOM 649 O GLN A 41 62.260 1.480 12.255 1.00 0.00 O ATOM 650 CB GLN A 41 64.134 2.870 13.687 1.00 0.00 C ATOM 651 CG GLN A 41 65.311 3.772 14.065 1.00 0.00 C ATOM 652 CD GLN A 41 66.253 3.012 15.001 1.00 0.00 C ATOM 653 OE1 GLN A 41 65.922 1.947 15.482 1.00 0.00 O ATOM 654 NE2 GLN A 41 67.422 3.519 15.283 1.00 0.00 N ATOM 0 H GLN A 41 66.260 2.359 11.441 1.00 0.00 H new ATOM 0 HA GLN A 41 65.249 1.079 13.111 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.323 3.468 13.271 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.742 2.375 14.575 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.846 4.085 13.168 1.00 0.00 H new ATOM 0 HG3 GLN A 41 64.948 4.677 14.552 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.701 4.413 14.879 1.00 0.00 H new ATOM 0 HE22 GLN A 41 68.057 3.021 15.907 1.00 0.00 H new ATOM 663 N LEU A 42 63.630 -0.016 11.413 1.00 0.00 N ATOM 664 CA LEU A 42 62.494 -0.789 10.835 1.00 0.00 C ATOM 665 C LEU A 42 62.492 -2.218 11.385 1.00 0.00 C ATOM 666 O LEU A 42 63.203 -3.073 10.894 1.00 0.00 O ATOM 667 CB LEU A 42 62.738 -0.797 9.326 1.00 0.00 C ATOM 668 CG LEU A 42 61.416 -1.044 8.594 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.673 -2.215 9.245 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.549 0.215 8.673 1.00 0.00 C ATOM 0 H LEU A 42 64.556 -0.405 11.238 1.00 0.00 H new ATOM 0 HA LEU A 42 61.529 -0.349 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.167 0.154 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.459 -1.573 9.068 1.00 0.00 H new ATOM 0 HG LEU A 42 61.621 -1.284 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.733 -2.386 8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.289 -3.113 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.468 -1.980 10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.607 0.041 8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.348 0.453 9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.074 1.048 8.205 1.00 0.00 H new ATOM 682 N PRO A 43 61.683 -2.430 12.387 1.00 0.00 N ATOM 683 CA PRO A 43 61.579 -3.770 13.012 1.00 0.00 C ATOM 684 C PRO A 43 60.778 -4.704 12.101 1.00 0.00 C ATOM 685 O PRO A 43 60.605 -4.438 10.929 1.00 0.00 O ATOM 686 CB PRO A 43 60.837 -3.499 14.316 1.00 0.00 C ATOM 687 CG PRO A 43 60.054 -2.248 14.067 1.00 0.00 C ATOM 688 CD PRO A 43 60.798 -1.450 13.025 1.00 0.00 C ATOM 0 HA PRO A 43 62.542 -4.253 13.177 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.181 -4.330 14.576 1.00 0.00 H new ATOM 0 HB3 PRO A 43 61.532 -3.370 15.146 1.00 0.00 H new ATOM 0 HG2 PRO A 43 59.048 -2.487 13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.947 -1.673 14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 43 60.115 -1.001 12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 43 61.365 -0.636 13.476 1.00 0.00 H new ATOM 696 N MET A 44 60.292 -5.798 12.621 1.00 0.00 N ATOM 697 CA MET A 44 59.511 -6.736 11.764 1.00 0.00 C ATOM 698 C MET A 44 58.114 -6.990 12.342 1.00 0.00 C ATOM 699 O MET A 44 57.661 -8.116 12.390 1.00 0.00 O ATOM 700 CB MET A 44 60.324 -8.027 11.754 1.00 0.00 C ATOM 701 CG MET A 44 60.774 -8.357 13.178 1.00 0.00 C ATOM 702 SD MET A 44 61.271 -10.096 13.266 1.00 0.00 S ATOM 703 CE MET A 44 62.574 -9.899 14.506 1.00 0.00 C ATOM 0 H MET A 44 60.400 -6.082 13.595 1.00 0.00 H new ATOM 0 HA MET A 44 59.357 -6.331 10.764 1.00 0.00 H new ATOM 0 HB2 MET A 44 59.724 -8.844 11.352 1.00 0.00 H new ATOM 0 HB3 MET A 44 61.191 -7.918 11.103 1.00 0.00 H new ATOM 0 HG2 MET A 44 61.606 -7.715 13.466 1.00 0.00 H new ATOM 0 HG3 MET A 44 59.964 -8.163 13.881 1.00 0.00 H new ATOM 0 HE1 MET A 44 63.026 -10.868 14.716 1.00 0.00 H new ATOM 0 HE2 MET A 44 63.336 -9.218 14.128 1.00 0.00 H new ATOM 0 HE3 MET A 44 62.146 -9.492 15.422 1.00 0.00 H new ATOM 713 N PRO A 45 57.466 -5.931 12.748 1.00 0.00 N ATOM 714 CA PRO A 45 56.099 -6.047 13.308 1.00 0.00 C ATOM 715 C PRO A 45 55.092 -6.264 12.175 1.00 0.00 C ATOM 716 O PRO A 45 53.905 -6.400 12.399 1.00 0.00 O ATOM 717 CB PRO A 45 55.868 -4.694 13.973 1.00 0.00 C ATOM 718 CG PRO A 45 56.771 -3.745 13.248 1.00 0.00 C ATOM 719 CD PRO A 45 57.940 -4.545 12.727 1.00 0.00 C ATOM 0 HA PRO A 45 55.984 -6.882 13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 45 54.825 -4.387 13.891 1.00 0.00 H new ATOM 0 HB3 PRO A 45 56.106 -4.731 15.036 1.00 0.00 H new ATOM 0 HG2 PRO A 45 56.241 -3.261 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 45 57.114 -2.955 13.916 1.00 0.00 H new ATOM 0 HD2 PRO A 45 58.218 -4.234 11.720 1.00 0.00 H new ATOM 0 HD3 PRO A 45 58.822 -4.416 13.355 1.00 0.00 H new ATOM 727 N GLY A 46 55.562 -6.283 10.958 1.00 0.00 N ATOM 728 CA GLY A 46 54.646 -6.474 9.799 1.00 0.00 C ATOM 729 C GLY A 46 54.922 -5.385 8.757 1.00 0.00 C ATOM 730 O GLY A 46 54.293 -5.332 7.719 1.00 0.00 O ATOM 0 H GLY A 46 56.547 -6.174 10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 46 54.795 -7.461 9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.608 -6.425 10.128 1.00 0.00 H new ATOM 734 N SER A 47 55.860 -4.515 9.030 1.00 0.00 N ATOM 735 CA SER A 47 56.181 -3.428 8.061 1.00 0.00 C ATOM 736 C SER A 47 56.704 -4.023 6.753 1.00 0.00 C ATOM 737 O SER A 47 56.511 -5.189 6.473 1.00 0.00 O ATOM 738 CB SER A 47 57.265 -2.592 8.746 1.00 0.00 C ATOM 739 OG SER A 47 57.772 -3.303 9.870 1.00 0.00 O ATOM 0 H SER A 47 56.418 -4.512 9.884 1.00 0.00 H new ATOM 0 HA SER A 47 55.306 -2.829 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.071 -2.377 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 47 56.854 -1.634 9.063 1.00 0.00 H new ATOM 0 HG SER A 47 58.308 -2.699 10.425 1.00 0.00 H new ATOM 745 N ARG A 48 57.360 -3.234 5.944 1.00 0.00 N ATOM 746 CA ARG A 48 57.881 -3.768 4.660 1.00 0.00 C ATOM 747 C ARG A 48 58.528 -2.646 3.843 1.00 0.00 C ATOM 748 O ARG A 48 58.190 -1.486 3.979 1.00 0.00 O ATOM 749 CB ARG A 48 56.648 -4.328 3.946 1.00 0.00 C ATOM 750 CG ARG A 48 56.915 -4.421 2.443 1.00 0.00 C ATOM 751 CD ARG A 48 55.913 -5.386 1.805 1.00 0.00 C ATOM 752 NE ARG A 48 55.412 -4.673 0.596 1.00 0.00 N ATOM 753 CZ ARG A 48 54.384 -3.875 0.690 1.00 0.00 C ATOM 754 NH1 ARG A 48 53.969 -3.480 1.863 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.774 -3.467 -0.389 1.00 0.00 N ATOM 0 H ARG A 48 57.555 -2.248 6.119 1.00 0.00 H new ATOM 0 HA ARG A 48 58.649 -4.528 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 48 56.404 -5.313 4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 48 55.786 -3.687 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 48 56.828 -3.435 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 48 57.933 -4.767 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 48 56.388 -6.330 1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 48 55.099 -5.621 2.491 1.00 0.00 H new ATOM 0 HE ARG A 48 55.872 -4.809 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 48 54.448 -3.795 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 48 53.165 -2.856 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 48 54.101 -3.772 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 48 52.970 -2.843 -0.316 1.00 0.00 H new ATOM 769 N LEU A 49 59.450 -2.988 2.989 1.00 0.00 N ATOM 770 CA LEU A 49 60.117 -1.953 2.152 1.00 0.00 C ATOM 771 C LEU A 49 59.708 -2.140 0.691 1.00 0.00 C ATOM 772 O LEU A 49 59.159 -3.159 0.319 1.00 0.00 O ATOM 773 CB LEU A 49 61.614 -2.199 2.331 1.00 0.00 C ATOM 774 CG LEU A 49 62.090 -1.531 3.621 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.972 -2.505 4.406 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.899 -0.278 3.278 1.00 0.00 C ATOM 0 H LEU A 49 59.772 -3.943 2.834 1.00 0.00 H new ATOM 0 HA LEU A 49 59.843 -0.938 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.816 -3.270 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.163 -1.800 1.478 1.00 0.00 H new ATOM 0 HG LEU A 49 61.226 -1.254 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.311 -2.028 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.398 -3.399 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.835 -2.782 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.239 0.199 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.762 -0.556 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.273 0.417 2.719 1.00 0.00 H new ATOM 788 N CYS A 50 59.961 -1.171 -0.143 1.00 0.00 N ATOM 789 CA CYS A 50 59.574 -1.312 -1.574 1.00 0.00 C ATOM 790 C CYS A 50 60.423 -0.392 -2.454 1.00 0.00 C ATOM 791 O CYS A 50 60.613 0.771 -2.156 1.00 0.00 O ATOM 792 CB CYS A 50 58.103 -0.899 -1.626 1.00 0.00 C ATOM 793 SG CYS A 50 57.884 0.669 -0.749 1.00 0.00 S ATOM 0 H CYS A 50 60.417 -0.292 0.102 1.00 0.00 H new ATOM 0 HA CYS A 50 59.729 -2.326 -1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.780 -0.797 -2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.481 -1.671 -1.173 1.00 0.00 H new ATOM 0 HG CYS A 50 56.634 0.813 -0.424 1.00 0.00 H new ATOM 799 N LEU A 51 60.930 -0.907 -3.538 1.00 0.00 N ATOM 800 CA LEU A 51 61.763 -0.076 -4.451 1.00 0.00 C ATOM 801 C LEU A 51 60.932 1.066 -5.040 1.00 0.00 C ATOM 802 O LEU A 51 59.883 0.850 -5.615 1.00 0.00 O ATOM 803 CB LEU A 51 62.192 -1.035 -5.554 1.00 0.00 C ATOM 804 CG LEU A 51 63.615 -1.514 -5.288 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.596 -2.997 -4.918 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.449 -1.314 -6.550 1.00 0.00 C ATOM 0 H LEU A 51 60.802 -1.875 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 51 62.610 0.380 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.512 -1.886 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.139 -0.538 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 51 64.047 -0.945 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.614 -3.338 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.992 -3.141 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 51 63.168 -3.572 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.469 -1.654 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 51 64.014 -1.888 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.460 -0.257 -6.815 1.00 0.00 H new ATOM 818 N TYR A 52 61.394 2.280 -4.908 1.00 0.00 N ATOM 819 CA TYR A 52 60.632 3.431 -5.469 1.00 0.00 C ATOM 820 C TYR A 52 60.833 3.501 -6.985 1.00 0.00 C ATOM 821 O TYR A 52 60.333 4.388 -7.648 1.00 0.00 O ATOM 822 CB TYR A 52 61.228 4.667 -4.794 1.00 0.00 C ATOM 823 CG TYR A 52 60.508 5.903 -5.278 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.286 6.272 -4.700 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.059 6.680 -6.303 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.617 7.418 -5.148 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.390 7.825 -6.751 1.00 0.00 C ATOM 828 CZ TYR A 52 59.169 8.195 -6.173 1.00 0.00 C ATOM 829 OH TYR A 52 58.510 9.325 -6.615 1.00 0.00 O ATOM 0 H TYR A 52 62.265 2.524 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 52 59.560 3.346 -5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.138 4.582 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.292 4.741 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 52 58.860 5.673 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.001 6.396 -6.749 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.675 7.702 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.816 8.424 -7.543 1.00 0.00 H new ATOM 0 HH TYR A 52 57.639 9.072 -6.986 1.00 0.00 H new ATOM 839 N GLU A 53 61.565 2.572 -7.540 1.00 0.00 N ATOM 840 CA GLU A 53 61.802 2.586 -9.012 1.00 0.00 C ATOM 841 C GLU A 53 60.505 2.280 -9.765 1.00 0.00 C ATOM 842 O GLU A 53 60.120 2.995 -10.669 1.00 0.00 O ATOM 843 CB GLU A 53 62.836 1.486 -9.257 1.00 0.00 C ATOM 844 CG GLU A 53 63.679 1.843 -10.484 1.00 0.00 C ATOM 845 CD GLU A 53 65.159 1.861 -10.097 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.505 2.600 -9.188 1.00 0.00 O ATOM 847 OE2 GLU A 53 65.922 1.135 -10.713 1.00 0.00 O ATOM 0 H GLU A 53 62.009 1.804 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 53 62.148 3.558 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.477 1.373 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.336 0.530 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.509 1.117 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.382 2.817 -10.872 1.00 0.00 H new ATOM 854 N ASP A 54 59.828 1.223 -9.407 1.00 0.00 N ATOM 855 CA ASP A 54 58.560 0.880 -10.114 1.00 0.00 C ATOM 856 C ASP A 54 57.594 0.155 -9.174 1.00 0.00 C ATOM 857 O ASP A 54 57.118 -0.924 -9.467 1.00 0.00 O ATOM 858 CB ASP A 54 58.984 -0.039 -11.261 1.00 0.00 C ATOM 859 CG ASP A 54 58.439 0.506 -12.583 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.411 1.162 -12.551 1.00 0.00 O ATOM 861 OD2 ASP A 54 59.059 0.258 -13.603 1.00 0.00 O ATOM 0 H ASP A 54 60.096 0.584 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 54 58.038 1.768 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.071 -0.106 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.609 -1.048 -11.090 1.00 0.00 H new ATOM 866 N GLY A 55 57.293 0.745 -8.052 1.00 0.00 N ATOM 867 CA GLY A 55 56.349 0.099 -7.096 1.00 0.00 C ATOM 868 C GLY A 55 56.794 -1.335 -6.803 1.00 0.00 C ATOM 869 O GLY A 55 55.984 -2.236 -6.711 1.00 0.00 O ATOM 0 H GLY A 55 57.660 1.649 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.309 0.672 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.342 0.097 -7.513 1.00 0.00 H new ATOM 873 N THR A 56 58.070 -1.558 -6.643 1.00 0.00 N ATOM 874 CA THR A 56 58.548 -2.939 -6.341 1.00 0.00 C ATOM 875 C THR A 56 58.542 -3.162 -4.826 1.00 0.00 C ATOM 876 O THR A 56 58.549 -2.223 -4.054 1.00 0.00 O ATOM 877 CB THR A 56 59.971 -3.010 -6.901 1.00 0.00 C ATOM 878 OG1 THR A 56 60.383 -1.718 -7.327 1.00 0.00 O ATOM 879 CG2 THR A 56 60.006 -3.974 -8.089 1.00 0.00 C ATOM 0 H THR A 56 58.800 -0.848 -6.708 1.00 0.00 H new ATOM 0 HA THR A 56 57.914 -3.708 -6.782 1.00 0.00 H new ATOM 0 HB THR A 56 60.646 -3.366 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.130 -1.804 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 56 61.019 -4.024 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.695 -4.966 -7.762 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.328 -3.619 -8.865 1.00 0.00 H new ATOM 887 N GLU A 57 58.519 -4.390 -4.390 1.00 0.00 N ATOM 888 CA GLU A 57 58.503 -4.653 -2.922 1.00 0.00 C ATOM 889 C GLU A 57 59.762 -5.416 -2.501 1.00 0.00 C ATOM 890 O GLU A 57 60.186 -6.347 -3.157 1.00 0.00 O ATOM 891 CB GLU A 57 57.257 -5.504 -2.681 1.00 0.00 C ATOM 892 CG GLU A 57 56.064 -4.880 -3.409 1.00 0.00 C ATOM 893 CD GLU A 57 55.765 -5.683 -4.676 1.00 0.00 C ATOM 894 OE1 GLU A 57 56.702 -6.192 -5.267 1.00 0.00 O ATOM 895 OE2 GLU A 57 54.601 -5.775 -5.035 1.00 0.00 O ATOM 0 H GLU A 57 58.511 -5.220 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 57 58.485 -3.730 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.423 -6.520 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.050 -5.571 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.191 -4.870 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.282 -3.843 -3.665 1.00 0.00 H new ATOM 902 N VAL A 58 60.359 -5.026 -1.408 1.00 0.00 N ATOM 903 CA VAL A 58 61.591 -5.721 -0.935 1.00 0.00 C ATOM 904 C VAL A 58 61.762 -5.502 0.573 1.00 0.00 C ATOM 905 O VAL A 58 61.003 -4.779 1.189 1.00 0.00 O ATOM 906 CB VAL A 58 62.734 -5.063 -1.713 1.00 0.00 C ATOM 907 CG1 VAL A 58 64.068 -5.680 -1.295 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.524 -5.283 -3.213 1.00 0.00 C ATOM 0 H VAL A 58 60.046 -4.254 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 58 61.558 -6.798 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 58 62.746 -3.995 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.878 -5.208 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.223 -5.524 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 58 64.057 -6.749 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.338 -4.815 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.509 -6.352 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.576 -4.839 -3.517 1.00 0.00 H new ATOM 918 N THR A 59 62.744 -6.118 1.176 1.00 0.00 N ATOM 919 CA THR A 59 62.946 -5.936 2.644 1.00 0.00 C ATOM 920 C THR A 59 64.411 -5.599 2.947 1.00 0.00 C ATOM 921 O THR A 59 65.294 -5.845 2.149 1.00 0.00 O ATOM 922 CB THR A 59 62.566 -7.280 3.265 1.00 0.00 C ATOM 923 OG1 THR A 59 63.463 -8.282 2.807 1.00 0.00 O ATOM 924 CG2 THR A 59 61.138 -7.644 2.860 1.00 0.00 C ATOM 0 H THR A 59 63.413 -6.737 0.718 1.00 0.00 H new ATOM 0 HA THR A 59 62.347 -5.117 3.042 1.00 0.00 H new ATOM 0 HB THR A 59 62.625 -7.210 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.293 -9.118 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.867 -8.602 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.452 -6.874 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.075 -7.715 1.774 1.00 0.00 H new ATOM 932 N ASP A 60 64.671 -5.035 4.097 1.00 0.00 N ATOM 933 CA ASP A 60 66.074 -4.678 4.455 1.00 0.00 C ATOM 934 C ASP A 60 66.944 -5.936 4.531 1.00 0.00 C ATOM 935 O ASP A 60 68.130 -5.898 4.267 1.00 0.00 O ATOM 936 CB ASP A 60 65.974 -4.014 5.830 1.00 0.00 C ATOM 937 CG ASP A 60 65.339 -4.992 6.823 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.123 -5.087 6.833 1.00 0.00 O ATOM 939 OD2 ASP A 60 66.079 -5.628 7.554 1.00 0.00 O ATOM 0 H ASP A 60 63.972 -4.806 4.804 1.00 0.00 H new ATOM 0 HA ASP A 60 66.532 -4.022 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.965 -3.719 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.375 -3.105 5.764 1.00 0.00 H new ATOM 944 N ASP A 61 66.368 -7.049 4.894 1.00 0.00 N ATOM 945 CA ASP A 61 67.169 -8.303 4.992 1.00 0.00 C ATOM 946 C ASP A 61 67.051 -9.113 3.697 1.00 0.00 C ATOM 947 O ASP A 61 67.267 -10.309 3.680 1.00 0.00 O ATOM 948 CB ASP A 61 66.558 -9.073 6.163 1.00 0.00 C ATOM 949 CG ASP A 61 67.299 -8.715 7.452 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.487 -8.449 7.374 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.666 -8.714 8.495 1.00 0.00 O ATOM 0 H ASP A 61 65.380 -7.145 5.127 1.00 0.00 H new ATOM 0 HA ASP A 61 68.230 -8.103 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.500 -8.829 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 61 66.623 -10.146 5.980 1.00 0.00 H new ATOM 956 N CYS A 62 66.712 -8.472 2.614 1.00 0.00 N ATOM 957 CA CYS A 62 66.585 -9.206 1.323 1.00 0.00 C ATOM 958 C CYS A 62 67.352 -8.472 0.220 1.00 0.00 C ATOM 959 O CYS A 62 67.926 -9.080 -0.662 1.00 0.00 O ATOM 960 CB CYS A 62 65.087 -9.220 1.019 1.00 0.00 C ATOM 961 SG CYS A 62 64.810 -9.908 -0.632 1.00 0.00 S ATOM 0 H CYS A 62 66.517 -7.472 2.566 1.00 0.00 H new ATOM 0 HA CYS A 62 66.997 -10.214 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.560 -9.814 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.685 -8.209 1.075 1.00 0.00 H new ATOM 0 HG CYS A 62 63.536 -9.921 -0.888 1.00 0.00 H new ATOM 967 N PHE A 63 67.365 -7.168 0.261 1.00 0.00 N ATOM 968 CA PHE A 63 68.094 -6.395 -0.785 1.00 0.00 C ATOM 969 C PHE A 63 69.463 -7.028 -1.053 1.00 0.00 C ATOM 970 O PHE A 63 70.381 -6.879 -0.271 1.00 0.00 O ATOM 971 CB PHE A 63 68.257 -4.992 -0.201 1.00 0.00 C ATOM 972 CG PHE A 63 66.969 -4.224 -0.370 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.513 -3.893 -1.652 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.229 -3.841 0.755 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.318 -3.180 -1.809 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.035 -3.127 0.599 1.00 0.00 C ATOM 977 CZ PHE A 63 64.580 -2.797 -0.682 1.00 0.00 C ATOM 0 H PHE A 63 66.902 -6.604 0.974 1.00 0.00 H new ATOM 0 HA PHE A 63 67.559 -6.381 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.520 -5.054 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.072 -4.470 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.083 -4.188 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.580 -4.097 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.966 -2.926 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.465 -2.831 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.659 -2.246 -0.802 1.00 0.00 H new ATOM 987 N PRO A 64 69.551 -7.713 -2.159 1.00 0.00 N ATOM 988 CA PRO A 64 70.819 -8.379 -2.546 1.00 0.00 C ATOM 989 C PRO A 64 71.847 -7.341 -3.005 1.00 0.00 C ATOM 990 O PRO A 64 72.607 -6.816 -2.214 1.00 0.00 O ATOM 991 CB PRO A 64 70.406 -9.287 -3.702 1.00 0.00 C ATOM 992 CG PRO A 64 69.177 -8.653 -4.272 1.00 0.00 C ATOM 993 CD PRO A 64 68.487 -7.931 -3.144 1.00 0.00 C ATOM 0 HA PRO A 64 71.286 -8.926 -1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.196 -9.359 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.203 -10.300 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.437 -7.959 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.520 -9.407 -4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.054 -6.988 -3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.674 -8.525 -2.728 1.00 0.00 H new ATOM 1001 N GLY A 65 71.874 -7.038 -4.274 1.00 0.00 N ATOM 1002 CA GLY A 65 72.851 -6.031 -4.778 1.00 0.00 C ATOM 1003 C GLY A 65 72.110 -4.970 -5.595 1.00 0.00 C ATOM 1004 O GLY A 65 72.317 -4.832 -6.784 1.00 0.00 O ATOM 0 H GLY A 65 71.263 -7.443 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.373 -5.564 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.607 -6.518 -5.394 1.00 0.00 H new ATOM 1008 N LEU A 66 71.248 -4.219 -4.965 1.00 0.00 N ATOM 1009 CA LEU A 66 70.494 -3.167 -5.705 1.00 0.00 C ATOM 1010 C LEU A 66 71.431 -2.405 -6.643 1.00 0.00 C ATOM 1011 O LEU A 66 72.635 -2.457 -6.498 1.00 0.00 O ATOM 1012 CB LEU A 66 69.949 -2.235 -4.620 1.00 0.00 C ATOM 1013 CG LEU A 66 68.854 -2.954 -3.832 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.603 -2.218 -2.516 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.565 -2.979 -4.657 1.00 0.00 C ATOM 0 H LEU A 66 71.033 -4.288 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 66 69.699 -3.586 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.753 -1.930 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.550 -1.327 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 66 69.171 -3.975 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.822 -2.732 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.521 -2.201 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.287 -1.196 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.784 -3.492 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.249 -1.958 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.743 -3.506 -5.595 1.00 0.00 H new ATOM 1027 N PRO A 67 70.835 -1.718 -7.577 1.00 0.00 N ATOM 1028 CA PRO A 67 71.616 -0.926 -8.557 1.00 0.00 C ATOM 1029 C PRO A 67 72.205 0.314 -7.882 1.00 0.00 C ATOM 1030 O PRO A 67 71.799 0.697 -6.804 1.00 0.00 O ATOM 1031 CB PRO A 67 70.578 -0.535 -9.606 1.00 0.00 C ATOM 1032 CG PRO A 67 69.267 -0.578 -8.888 1.00 0.00 C ATOM 1033 CD PRO A 67 69.392 -1.616 -7.804 1.00 0.00 C ATOM 0 HA PRO A 67 72.458 -1.472 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 67 70.776 0.459 -10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 67 70.589 -1.226 -10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.028 0.397 -8.463 1.00 0.00 H new ATOM 0 HG3 PRO A 67 68.460 -0.833 -9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 67 68.866 -1.313 -6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 67 68.968 -2.571 -8.115 1.00 0.00 H new ATOM 1041 N ASN A 68 73.160 0.945 -8.507 1.00 0.00 N ATOM 1042 CA ASN A 68 73.769 2.159 -7.894 1.00 0.00 C ATOM 1043 C ASN A 68 72.674 3.067 -7.335 1.00 0.00 C ATOM 1044 O ASN A 68 71.557 3.076 -7.814 1.00 0.00 O ATOM 1045 CB ASN A 68 74.517 2.851 -9.033 1.00 0.00 C ATOM 1046 CG ASN A 68 73.510 3.469 -10.005 1.00 0.00 C ATOM 1047 OD1 ASN A 68 73.068 2.758 -11.007 1.00 0.00 O flip ATOM 1048 ND2 ASN A 68 73.121 4.609 -9.852 1.00 0.00 N flip ATOM 0 H ASN A 68 73.544 0.674 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 68 74.435 1.916 -7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.174 3.624 -8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 68 75.149 2.133 -9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 68 73.466 5.165 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 68 72.449 5.011 -10.506 1.00 0.00 H new ATOM 1055 N ASP A 69 72.983 3.826 -6.322 1.00 0.00 N ATOM 1056 CA ASP A 69 71.955 4.726 -5.730 1.00 0.00 C ATOM 1057 C ASP A 69 70.642 3.966 -5.549 1.00 0.00 C ATOM 1058 O ASP A 69 69.568 4.501 -5.744 1.00 0.00 O ATOM 1059 CB ASP A 69 71.791 5.864 -6.739 1.00 0.00 C ATOM 1060 CG ASP A 69 73.158 6.481 -7.038 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.916 5.868 -7.770 1.00 0.00 O ATOM 1062 OD2 ASP A 69 73.424 7.559 -6.530 1.00 0.00 O ATOM 0 H ASP A 69 73.901 3.862 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 69 72.244 5.100 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.341 5.488 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 69 71.117 6.623 -6.341 1.00 0.00 H new ATOM 1067 N ALA A 70 70.728 2.720 -5.176 1.00 0.00 N ATOM 1068 CA ALA A 70 69.490 1.906 -4.976 1.00 0.00 C ATOM 1069 C ALA A 70 68.412 2.745 -4.283 1.00 0.00 C ATOM 1070 O ALA A 70 68.502 3.043 -3.109 1.00 0.00 O ATOM 1071 CB ALA A 70 69.920 0.742 -4.082 1.00 0.00 C ATOM 0 H ALA A 70 71.603 2.226 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 70 69.067 1.560 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.064 0.096 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.701 0.169 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.302 1.130 -3.138 1.00 0.00 H new ATOM 1077 N GLU A 71 67.394 3.131 -5.004 1.00 0.00 N ATOM 1078 CA GLU A 71 66.312 3.954 -4.389 1.00 0.00 C ATOM 1079 C GLU A 71 65.304 3.056 -3.666 1.00 0.00 C ATOM 1080 O GLU A 71 64.410 2.497 -4.269 1.00 0.00 O ATOM 1081 CB GLU A 71 65.646 4.672 -5.563 1.00 0.00 C ATOM 1082 CG GLU A 71 65.166 6.053 -5.113 1.00 0.00 C ATOM 1083 CD GLU A 71 64.803 6.894 -6.338 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.346 6.627 -7.398 1.00 0.00 O ATOM 1085 OE2 GLU A 71 63.989 7.792 -6.196 1.00 0.00 O ATOM 0 H GLU A 71 67.264 2.912 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 71 66.698 4.654 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.351 4.772 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.804 4.085 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.300 5.953 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 71 65.946 6.550 -4.536 1.00 0.00 H new ATOM 1092 N LEU A 72 65.440 2.919 -2.375 1.00 0.00 N ATOM 1093 CA LEU A 72 64.487 2.063 -1.610 1.00 0.00 C ATOM 1094 C LEU A 72 63.513 2.943 -0.823 1.00 0.00 C ATOM 1095 O LEU A 72 63.783 4.098 -0.559 1.00 0.00 O ATOM 1096 CB LEU A 72 65.364 1.248 -0.658 1.00 0.00 C ATOM 1097 CG LEU A 72 65.987 0.076 -1.418 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.744 0.605 -2.637 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.960 -0.666 -0.498 1.00 0.00 C ATOM 0 H LEU A 72 66.169 3.362 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 72 63.889 1.423 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.146 1.879 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 72 64.768 0.879 0.177 1.00 0.00 H new ATOM 0 HG LEU A 72 65.202 -0.605 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 72 67.189 -0.229 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 72 66.053 1.137 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.530 1.285 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.405 -1.502 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.746 0.016 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.423 -1.041 0.373 1.00 0.00 H new ATOM 1111 N LEU A 73 62.384 2.410 -0.445 1.00 0.00 N ATOM 1112 CA LEU A 73 61.400 3.226 0.323 1.00 0.00 C ATOM 1113 C LEU A 73 60.953 2.478 1.580 1.00 0.00 C ATOM 1114 O LEU A 73 60.295 1.459 1.510 1.00 0.00 O ATOM 1115 CB LEU A 73 60.220 3.430 -0.627 1.00 0.00 C ATOM 1116 CG LEU A 73 59.225 4.410 0.000 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.184 5.696 -0.826 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.831 3.778 0.023 1.00 0.00 C ATOM 0 H LEU A 73 62.100 1.449 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 73 61.825 4.174 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.572 3.815 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.731 2.477 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 73 59.538 4.641 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.475 6.393 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.176 6.148 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.872 5.465 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.123 4.476 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.520 3.547 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.857 2.861 0.612 1.00 0.00 H new ATOM 1130 N LEU A 74 61.301 2.982 2.730 1.00 0.00 N ATOM 1131 CA LEU A 74 60.895 2.313 3.996 1.00 0.00 C ATOM 1132 C LEU A 74 59.380 2.417 4.176 1.00 0.00 C ATOM 1133 O LEU A 74 58.799 3.471 4.001 1.00 0.00 O ATOM 1134 CB LEU A 74 61.621 3.088 5.092 1.00 0.00 C ATOM 1135 CG LEU A 74 61.366 2.430 6.448 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.314 1.244 6.628 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.610 3.451 7.562 1.00 0.00 C ATOM 0 H LEU A 74 61.852 3.832 2.848 1.00 0.00 H new ATOM 0 HA LEU A 74 61.146 1.252 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.691 3.112 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 74 61.276 4.122 5.109 1.00 0.00 H new ATOM 0 HG LEU A 74 60.335 2.079 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.131 0.776 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.142 0.517 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.346 1.593 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.429 2.984 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.641 3.801 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.934 4.297 7.435 1.00 0.00 H new ATOM 1149 N LEU A 75 58.731 1.338 4.519 1.00 0.00 N ATOM 1150 CA LEU A 75 57.256 1.390 4.701 1.00 0.00 C ATOM 1151 C LEU A 75 56.846 0.432 5.819 1.00 0.00 C ATOM 1152 O LEU A 75 57.557 -0.497 6.138 1.00 0.00 O ATOM 1153 CB LEU A 75 56.688 0.951 3.346 1.00 0.00 C ATOM 1154 CG LEU A 75 55.288 0.358 3.523 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.433 0.702 2.303 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.394 -1.163 3.654 1.00 0.00 C ATOM 0 H LEU A 75 59.158 0.426 4.680 1.00 0.00 H new ATOM 0 HA LEU A 75 56.889 2.376 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.646 1.804 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.348 0.213 2.889 1.00 0.00 H new ATOM 0 HG LEU A 75 54.828 0.772 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.436 0.280 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.360 1.785 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 54.894 0.286 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.398 -1.588 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.853 -1.575 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 75 56.007 -1.412 4.520 1.00 0.00 H new ATOM 1168 N THR A 76 55.710 0.649 6.418 1.00 0.00 N ATOM 1169 CA THR A 76 55.270 -0.260 7.511 1.00 0.00 C ATOM 1170 C THR A 76 53.811 -0.673 7.300 1.00 0.00 C ATOM 1171 O THR A 76 53.204 -0.349 6.298 1.00 0.00 O ATOM 1172 CB THR A 76 55.428 0.551 8.797 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.737 1.785 8.668 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.914 0.818 9.054 1.00 0.00 C ATOM 0 H THR A 76 55.070 1.412 6.200 1.00 0.00 H new ATOM 0 HA THR A 76 55.854 -1.180 7.544 1.00 0.00 H new ATOM 0 HB THR A 76 55.012 -0.010 9.634 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.837 2.304 9.493 1.00 0.00 H new ATOM 0 HG21 THR A 76 57.026 1.396 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.442 -0.130 9.156 1.00 0.00 H new ATOM 0 HG23 THR A 76 57.333 1.378 8.218 1.00 0.00 H new ATOM 1182 N ALA A 77 53.246 -1.391 8.230 1.00 0.00 N ATOM 1183 CA ALA A 77 51.829 -1.827 8.074 1.00 0.00 C ATOM 1184 C ALA A 77 50.896 -0.616 8.078 1.00 0.00 C ATOM 1185 O ALA A 77 49.733 -0.715 7.743 1.00 0.00 O ATOM 1186 CB ALA A 77 51.554 -2.720 9.284 1.00 0.00 C ATOM 0 H ALA A 77 53.702 -1.695 9.090 1.00 0.00 H new ATOM 0 HA ALA A 77 51.661 -2.351 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.527 -3.083 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.239 -3.568 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.700 -2.147 10.200 1.00 0.00 H new ATOM 1192 N GLY A 78 51.398 0.527 8.448 1.00 0.00 N ATOM 1193 CA GLY A 78 50.539 1.742 8.465 1.00 0.00 C ATOM 1194 C GLY A 78 50.865 2.606 7.248 1.00 0.00 C ATOM 1195 O GLY A 78 50.664 3.804 7.256 1.00 0.00 O ATOM 0 H GLY A 78 52.365 0.673 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.487 1.458 8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.706 2.307 9.382 1.00 0.00 H new ATOM 1199 N GLU A 79 51.370 2.011 6.201 1.00 0.00 N ATOM 1200 CA GLU A 79 51.709 2.812 4.988 1.00 0.00 C ATOM 1201 C GLU A 79 51.718 1.928 3.737 1.00 0.00 C ATOM 1202 O GLU A 79 51.778 0.717 3.815 1.00 0.00 O ATOM 1203 CB GLU A 79 53.107 3.366 5.259 1.00 0.00 C ATOM 1204 CG GLU A 79 53.007 4.846 5.635 1.00 0.00 C ATOM 1205 CD GLU A 79 54.109 5.632 4.921 1.00 0.00 C ATOM 1206 OE1 GLU A 79 54.872 5.016 4.195 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.170 6.834 5.113 1.00 0.00 O ATOM 0 H GLU A 79 51.562 1.012 6.132 1.00 0.00 H new ATOM 0 HA GLU A 79 50.980 3.602 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.581 2.806 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.735 3.246 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.028 5.237 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 79 53.102 4.965 6.714 1.00 0.00 H new ATOM 1214 N THR A 80 51.662 2.535 2.582 1.00 0.00 N ATOM 1215 CA THR A 80 51.672 1.749 1.313 1.00 0.00 C ATOM 1216 C THR A 80 52.176 2.631 0.166 1.00 0.00 C ATOM 1217 O THR A 80 51.835 3.794 0.072 1.00 0.00 O ATOM 1218 CB THR A 80 50.215 1.341 1.079 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.384 1.948 2.059 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.088 -0.180 1.173 1.00 0.00 C ATOM 0 H THR A 80 51.609 3.547 2.462 1.00 0.00 H new ATOM 0 HA THR A 80 52.327 0.879 1.366 1.00 0.00 H new ATOM 0 HB THR A 80 49.904 1.671 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.452 1.686 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.050 -0.469 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.721 -0.645 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.402 -0.511 2.163 1.00 0.00 H new ATOM 1228 N TRP A 81 52.991 2.096 -0.703 1.00 0.00 N ATOM 1229 CA TRP A 81 53.516 2.920 -1.832 1.00 0.00 C ATOM 1230 C TRP A 81 52.802 2.567 -3.139 1.00 0.00 C ATOM 1231 O TRP A 81 52.577 1.412 -3.444 1.00 0.00 O ATOM 1232 CB TRP A 81 55.001 2.568 -1.922 1.00 0.00 C ATOM 1233 CG TRP A 81 55.591 3.185 -3.149 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.445 2.565 -3.995 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.387 4.527 -3.684 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.781 3.440 -5.013 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.154 4.661 -4.866 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.620 5.629 -3.263 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.159 5.847 -5.604 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.623 6.824 -4.003 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.392 6.932 -5.170 1.00 0.00 C ATOM 0 H TRP A 81 53.315 1.129 -0.681 1.00 0.00 H new ATOM 0 HA TRP A 81 53.355 3.985 -1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.524 2.926 -1.035 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.127 1.486 -1.951 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.806 1.552 -3.893 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.415 3.211 -5.779 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.025 5.556 -2.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.751 5.925 -6.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.030 7.663 -3.671 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.392 7.853 -5.734 1.00 0.00 H new ATOM 1252 N HIS A 82 52.445 3.557 -3.914 1.00 0.00 N ATOM 1253 CA HIS A 82 51.745 3.286 -5.202 1.00 0.00 C ATOM 1254 C HIS A 82 52.703 2.627 -6.200 1.00 0.00 C ATOM 1255 O HIS A 82 52.682 1.428 -6.396 1.00 0.00 O ATOM 1256 CB HIS A 82 51.310 4.662 -5.712 1.00 0.00 C ATOM 1257 CG HIS A 82 49.880 4.916 -5.326 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.173 6.011 -5.797 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.010 4.229 -4.515 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.936 5.954 -5.270 1.00 0.00 C ATOM 1261 NE2 HIS A 82 47.783 4.887 -4.482 1.00 0.00 N ATOM 0 H HIS A 82 52.609 4.543 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 82 50.901 2.608 -5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.953 5.436 -5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.418 4.710 -6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.242 3.318 -3.984 1.00 0.00 H new ATOM 0 HE1 HIS A 82 47.162 6.682 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 82 46.947 4.613 -3.966 1.00 0.00 H new ATOM 1269 N GLY A 83 53.541 3.402 -6.834 1.00 0.00 N ATOM 1270 CA GLY A 83 54.498 2.819 -7.820 1.00 0.00 C ATOM 1271 C GLY A 83 55.652 3.794 -8.055 1.00 0.00 C ATOM 1272 O GLY A 83 56.689 3.706 -7.427 1.00 0.00 O ATOM 0 H GLY A 83 53.605 4.413 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.882 1.868 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 83 53.986 2.613 -8.760 1.00 0.00 H new ATOM 1276 N TYR A 84 55.485 4.723 -8.956 1.00 0.00 N ATOM 1277 CA TYR A 84 56.576 5.701 -9.230 1.00 0.00 C ATOM 1278 C TYR A 84 56.193 6.604 -10.407 1.00 0.00 C ATOM 1279 O TYR A 84 56.559 6.354 -11.538 1.00 0.00 O ATOM 1280 CB TYR A 84 57.797 4.844 -9.580 1.00 0.00 C ATOM 1281 CG TYR A 84 58.822 5.685 -10.309 1.00 0.00 C ATOM 1282 CD1 TYR A 84 59.454 6.746 -9.651 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.138 5.400 -11.642 1.00 0.00 C ATOM 1284 CE1 TYR A 84 60.403 7.524 -10.328 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.085 6.177 -12.319 1.00 0.00 C ATOM 1286 CZ TYR A 84 60.717 7.239 -11.661 1.00 0.00 C ATOM 1287 OH TYR A 84 61.652 8.005 -12.329 1.00 0.00 O ATOM 0 H TYR A 84 54.640 4.847 -9.514 1.00 0.00 H new ATOM 0 HA TYR A 84 56.769 6.356 -8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.234 4.429 -8.672 1.00 0.00 H new ATOM 0 HB3 TYR A 84 57.495 4.002 -10.203 1.00 0.00 H new ATOM 0 HD1 TYR A 84 59.211 6.965 -8.622 1.00 0.00 H new ATOM 0 HD2 TYR A 84 58.651 4.580 -12.149 1.00 0.00 H new ATOM 0 HE1 TYR A 84 60.891 8.343 -9.821 1.00 0.00 H new ATOM 0 HE2 TYR A 84 60.328 5.958 -13.348 1.00 0.00 H new ATOM 0 HH TYR A 84 61.753 7.673 -13.245 1.00 0.00 H new ATOM 1297 N VAL A 85 55.463 7.654 -10.150 1.00 0.00 N ATOM 1298 CA VAL A 85 55.062 8.570 -11.252 1.00 0.00 C ATOM 1299 C VAL A 85 56.084 9.702 -11.395 1.00 0.00 C ATOM 1300 O VAL A 85 57.063 9.761 -10.677 1.00 0.00 O ATOM 1301 CB VAL A 85 53.702 9.123 -10.831 1.00 0.00 C ATOM 1302 CG1 VAL A 85 52.669 7.994 -10.830 1.00 0.00 C ATOM 1303 CG2 VAL A 85 53.806 9.722 -9.426 1.00 0.00 C ATOM 0 H VAL A 85 55.127 7.917 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 85 55.014 8.063 -12.216 1.00 0.00 H new ATOM 0 HB VAL A 85 53.392 9.897 -11.533 1.00 0.00 H new ATOM 0 HG11 VAL A 85 51.699 8.389 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 85 52.594 7.569 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 85 52.978 7.219 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 85 52.835 10.117 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 85 54.117 8.949 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 85 54.540 10.528 -9.427 1.00 0.00 H new ATOM 1313 N SER A 86 55.864 10.601 -12.314 1.00 0.00 N ATOM 1314 CA SER A 86 56.823 11.727 -12.500 1.00 0.00 C ATOM 1315 C SER A 86 56.471 12.881 -11.556 1.00 0.00 C ATOM 1316 O SER A 86 56.154 13.973 -11.985 1.00 0.00 O ATOM 1317 CB SER A 86 56.656 12.154 -13.959 1.00 0.00 C ATOM 1318 OG SER A 86 56.291 11.022 -14.739 1.00 0.00 O ATOM 0 H SER A 86 55.062 10.605 -12.944 1.00 0.00 H new ATOM 0 HA SER A 86 57.850 11.437 -12.277 1.00 0.00 H new ATOM 0 HB2 SER A 86 55.892 12.927 -14.039 1.00 0.00 H new ATOM 0 HB3 SER A 86 57.585 12.584 -14.333 1.00 0.00 H new ATOM 0 HG SER A 86 56.181 11.291 -15.675 1.00 0.00 H new ATOM 1324 N ASP A 87 56.524 12.646 -10.274 1.00 0.00 N ATOM 1325 CA ASP A 87 56.191 13.727 -9.302 1.00 0.00 C ATOM 1326 C ASP A 87 57.473 14.358 -8.750 1.00 0.00 C ATOM 1327 O ASP A 87 58.399 14.541 -9.523 1.00 0.00 O ATOM 1328 CB ASP A 87 55.415 13.029 -8.185 1.00 0.00 C ATOM 1329 CG ASP A 87 56.370 12.152 -7.374 1.00 0.00 C ATOM 1330 OD1 ASP A 87 56.561 11.009 -7.753 1.00 0.00 O ATOM 1331 OD2 ASP A 87 56.895 12.640 -6.385 1.00 0.00 O ATOM 1332 OXT ASP A 87 57.505 14.645 -7.565 1.00 0.00 O ATOM 0 H ASP A 87 56.783 11.752 -9.857 1.00 0.00 H new ATOM 0 HA ASP A 87 55.614 14.530 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 87 54.944 13.769 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 87 54.616 12.421 -8.608 1.00 0.00 H new TER 1337 ASP A 87