USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 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 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 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0.922) USER MOD Single : A 10 CYS SG : rot 18:sc= 0.0205 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.686 K(o=0.69,f=-5.7!) USER MOD Single : A 18 SER OG : rot 14:sc= 0.43 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 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.569 USER MOD Single : A 30 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= -2.69! (180deg=-5.65!) USER MOD Single : A 37 CYS SG : rot 108:sc= -0.389 USER MOD Single : A 41 GLN : amide:sc= -3.52! C(o=-3.5!,f=-5.1!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 80:sc= -2.16! USER MOD Single : A 50 CYS SG : rot -14:sc= -6.09! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.975 K(o=-0.97,f=-6.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 82 HIS : no HD1:sc=-0.00864 X(o=-0.0086,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 98.275 -6.068 -0.034 1.00 0.00 N ATOM 2 CA MET A 1 97.544 -5.044 0.768 1.00 0.00 C ATOM 3 C MET A 1 96.035 -5.277 0.675 1.00 0.00 C ATOM 4 O MET A 1 95.432 -5.099 -0.365 1.00 0.00 O ATOM 5 CB MET A 1 97.920 -3.706 0.133 1.00 0.00 C ATOM 6 CG MET A 1 97.346 -2.562 0.972 1.00 0.00 C ATOM 7 SD MET A 1 98.394 -2.296 2.425 1.00 0.00 S ATOM 8 CE MET A 1 97.074 -2.321 3.664 1.00 0.00 C ATOM 0 H1 MET A 1 99.299 -5.899 0.037 1.00 0.00 H new ATOM 0 H2 MET A 1 98.055 -7.017 0.331 1.00 0.00 H new ATOM 0 H3 MET A 1 97.982 -6.003 -1.030 1.00 0.00 H new ATOM 0 HA MET A 1 97.805 -5.083 1.826 1.00 0.00 H new ATOM 0 HB2 MET A 1 99.004 -3.615 0.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.534 -3.653 -0.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.293 -1.651 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.328 -2.799 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 97.502 -2.172 4.655 1.00 0.00 H new ATOM 0 HE2 MET A 1 96.362 -1.523 3.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 96.562 -3.283 3.631 1.00 0.00 H new ATOM 18 N CYS A 2 95.420 -5.672 1.756 1.00 0.00 N ATOM 19 CA CYS A 2 93.948 -5.916 1.732 1.00 0.00 C ATOM 20 C CYS A 2 93.233 -4.768 1.013 1.00 0.00 C ATOM 21 O CYS A 2 93.563 -3.612 1.187 1.00 0.00 O ATOM 22 CB CYS A 2 93.533 -5.970 3.202 1.00 0.00 C ATOM 23 SG CYS A 2 92.326 -7.297 3.440 1.00 0.00 S ATOM 0 H CYS A 2 95.872 -5.837 2.655 1.00 0.00 H new ATOM 0 HA CYS A 2 93.689 -6.832 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 2 94.406 -6.141 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 2 93.104 -5.015 3.505 1.00 0.00 H new ATOM 0 HG CYS A 2 91.975 -7.345 4.691 1.00 0.00 H new ATOM 29 N ALA A 3 92.254 -5.078 0.206 1.00 0.00 N ATOM 30 CA ALA A 3 91.519 -4.005 -0.523 1.00 0.00 C ATOM 31 C ALA A 3 90.533 -4.623 -1.517 1.00 0.00 C ATOM 32 O ALA A 3 90.907 -5.066 -2.585 1.00 0.00 O ATOM 33 CB ALA A 3 92.601 -3.217 -1.264 1.00 0.00 C ATOM 0 H ALA A 3 91.932 -6.028 0.020 1.00 0.00 H new ATOM 0 HA ALA A 3 90.940 -3.371 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 3 92.139 -2.406 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 3 93.307 -2.803 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 3 93.129 -3.880 -1.950 1.00 0.00 H new ATOM 39 N VAL A 4 89.274 -4.660 -1.174 1.00 0.00 N ATOM 40 CA VAL A 4 88.267 -5.252 -2.101 1.00 0.00 C ATOM 41 C VAL A 4 87.239 -4.197 -2.519 1.00 0.00 C ATOM 42 O VAL A 4 87.101 -3.166 -1.889 1.00 0.00 O ATOM 43 CB VAL A 4 87.593 -6.362 -1.295 1.00 0.00 C ATOM 44 CG1 VAL A 4 86.637 -7.141 -2.200 1.00 0.00 C ATOM 45 CG2 VAL A 4 88.661 -7.310 -0.745 1.00 0.00 C ATOM 0 H VAL A 4 88.899 -4.307 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 4 88.724 -5.628 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 4 87.034 -5.924 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 4 86.156 -7.933 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 4 85.877 -6.466 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 4 87.195 -7.580 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 4 88.183 -8.103 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 4 89.219 -7.748 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 4 89.343 -6.755 -0.101 1.00 0.00 H new ATOM 55 N LEU A 5 86.517 -4.448 -3.576 1.00 0.00 N ATOM 56 CA LEU A 5 85.496 -3.466 -4.037 1.00 0.00 C ATOM 57 C LEU A 5 86.167 -2.158 -4.467 1.00 0.00 C ATOM 58 O LEU A 5 86.414 -1.282 -3.663 1.00 0.00 O ATOM 59 CB LEU A 5 84.595 -3.230 -2.825 1.00 0.00 C ATOM 60 CG LEU A 5 83.198 -3.781 -3.113 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.435 -3.951 -1.798 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.442 -2.804 -4.015 1.00 0.00 C ATOM 0 H LEU A 5 86.591 -5.293 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 5 84.936 -3.832 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 5 85.016 -3.717 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 5 84.539 -2.164 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 5 83.284 -4.747 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 5 81.439 -4.344 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.973 -4.645 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 5 82.349 -2.985 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.446 -3.196 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.356 -1.839 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 5 82.984 -2.680 -4.952 1.00 0.00 H new ATOM 74 N ARG A 6 86.456 -2.018 -5.732 1.00 0.00 N ATOM 75 CA ARG A 6 87.103 -0.764 -6.213 1.00 0.00 C ATOM 76 C ARG A 6 86.038 0.302 -6.482 1.00 0.00 C ATOM 77 O ARG A 6 86.057 0.974 -7.495 1.00 0.00 O ATOM 78 CB ARG A 6 87.814 -1.154 -7.511 1.00 0.00 C ATOM 79 CG ARG A 6 88.741 -2.342 -7.249 1.00 0.00 C ATOM 80 CD ARG A 6 90.195 -1.911 -7.452 1.00 0.00 C ATOM 81 NE ARG A 6 90.837 -3.050 -8.167 1.00 0.00 N ATOM 82 CZ ARG A 6 91.930 -2.857 -8.853 1.00 0.00 C ATOM 83 NH1 ARG A 6 91.960 -1.952 -9.792 1.00 0.00 N ATOM 84 NH2 ARG A 6 92.994 -3.569 -8.598 1.00 0.00 N ATOM 0 H ARG A 6 86.272 -2.716 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 6 87.796 -0.348 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 6 87.081 -1.413 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.387 -0.309 -7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 6 88.599 -2.711 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 6 88.497 -3.163 -7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 6 90.257 -0.993 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 6 90.686 -1.716 -6.499 1.00 0.00 H new ATOM 0 HE ARG A 6 90.422 -3.981 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 6 91.129 -1.395 -9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 6 92.815 -1.801 -10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 6 92.971 -4.276 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 6 93.849 -3.419 -9.134 1.00 0.00 H new ATOM 98 N GLN A 7 85.108 0.460 -5.579 1.00 0.00 N ATOM 99 CA GLN A 7 84.036 1.478 -5.776 1.00 0.00 C ATOM 100 C GLN A 7 82.952 1.314 -4.704 1.00 0.00 C ATOM 101 O GLN A 7 82.390 0.247 -4.552 1.00 0.00 O ATOM 102 CB GLN A 7 83.466 1.190 -7.165 1.00 0.00 C ATOM 103 CG GLN A 7 83.845 2.325 -8.115 1.00 0.00 C ATOM 104 CD GLN A 7 82.587 3.100 -8.512 1.00 0.00 C ATOM 105 OE1 GLN A 7 82.073 3.885 -7.739 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.065 2.913 -9.693 1.00 0.00 N ATOM 0 H GLN A 7 85.044 -0.073 -4.712 1.00 0.00 H new ATOM 0 HA GLN A 7 84.412 2.498 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.854 0.243 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.382 1.092 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.560 2.993 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 7 84.333 1.923 -9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 7 82.495 2.255 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 7 81.227 3.425 -9.967 1.00 0.00 H new ATOM 115 N PRO A 8 82.699 2.380 -3.993 1.00 0.00 N ATOM 116 CA PRO A 8 81.677 2.353 -2.918 1.00 0.00 C ATOM 117 C PRO A 8 80.265 2.369 -3.510 1.00 0.00 C ATOM 118 O PRO A 8 79.951 3.167 -4.371 1.00 0.00 O ATOM 119 CB PRO A 8 81.951 3.631 -2.131 1.00 0.00 C ATOM 120 CG PRO A 8 82.625 4.552 -3.098 1.00 0.00 C ATOM 121 CD PRO A 8 83.335 3.697 -4.119 1.00 0.00 C ATOM 0 HA PRO A 8 81.733 1.456 -2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.026 4.066 -1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.587 3.433 -1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.895 5.201 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.333 5.199 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.219 4.100 -5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.405 3.643 -3.918 1.00 0.00 H new ATOM 129 N LYS A 9 79.410 1.497 -3.049 1.00 0.00 N ATOM 130 CA LYS A 9 78.017 1.465 -3.580 1.00 0.00 C ATOM 131 C LYS A 9 77.178 2.558 -2.915 1.00 0.00 C ATOM 132 O LYS A 9 77.514 3.053 -1.857 1.00 0.00 O ATOM 133 CB LYS A 9 77.483 0.080 -3.209 1.00 0.00 C ATOM 134 CG LYS A 9 77.414 -0.794 -4.461 1.00 0.00 C ATOM 135 CD LYS A 9 75.965 -0.877 -4.945 1.00 0.00 C ATOM 136 CE LYS A 9 75.103 -1.533 -3.866 1.00 0.00 C ATOM 137 NZ LYS A 9 73.929 -0.627 -3.709 1.00 0.00 N ATOM 0 H LYS A 9 79.616 0.806 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 9 77.979 1.641 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 9 78.131 -0.383 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.494 0.169 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 9 78.047 -0.377 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 9 77.793 -1.792 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.588 0.121 -5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 9 75.911 -1.454 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 9 74.792 -2.534 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 9 75.652 -1.635 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 73.211 -1.089 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 74.233 0.260 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 73.523 -0.420 -4.644 1.00 0.00 H new ATOM 151 N CYS A 10 76.088 2.939 -3.523 1.00 0.00 N ATOM 152 CA CYS A 10 75.233 4.001 -2.918 1.00 0.00 C ATOM 153 C CYS A 10 73.757 3.597 -2.988 1.00 0.00 C ATOM 154 O CYS A 10 73.337 2.897 -3.887 1.00 0.00 O ATOM 155 CB CYS A 10 75.489 5.248 -3.764 1.00 0.00 C ATOM 156 SG CYS A 10 74.669 6.671 -3.006 1.00 0.00 S ATOM 0 H CYS A 10 75.753 2.563 -4.410 1.00 0.00 H new ATOM 0 HA CYS A 10 75.466 4.168 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.560 5.432 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.115 5.096 -4.777 1.00 0.00 H new ATOM 0 HG CYS A 10 74.387 6.400 -1.766 1.00 0.00 H new ATOM 162 N VAL A 11 72.969 4.033 -2.044 1.00 0.00 N ATOM 163 CA VAL A 11 71.523 3.672 -2.054 1.00 0.00 C ATOM 164 C VAL A 11 70.686 4.814 -1.473 1.00 0.00 C ATOM 165 O VAL A 11 71.017 5.382 -0.451 1.00 0.00 O ATOM 166 CB VAL A 11 71.420 2.430 -1.170 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.456 1.398 -1.616 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.685 2.822 0.285 1.00 0.00 C ATOM 0 H VAL A 11 73.264 4.624 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 11 71.151 3.489 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 11 70.422 2.002 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.382 0.512 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.270 1.121 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.455 1.824 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.612 1.938 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.684 3.249 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.947 3.559 0.603 1.00 0.00 H new ATOM 178 N LYS A 12 69.602 5.154 -2.116 1.00 0.00 N ATOM 179 CA LYS A 12 68.744 6.258 -1.598 1.00 0.00 C ATOM 180 C LYS A 12 67.746 5.715 -0.574 1.00 0.00 C ATOM 181 O LYS A 12 66.645 5.325 -0.914 1.00 0.00 O ATOM 182 CB LYS A 12 68.009 6.792 -2.824 1.00 0.00 C ATOM 183 CG LYS A 12 68.963 7.656 -3.647 1.00 0.00 C ATOM 184 CD LYS A 12 69.301 8.925 -2.865 1.00 0.00 C ATOM 185 CE LYS A 12 69.550 10.069 -3.846 1.00 0.00 C ATOM 186 NZ LYS A 12 70.005 11.215 -3.009 1.00 0.00 N ATOM 0 H LYS A 12 69.274 4.716 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 12 69.325 7.033 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.636 5.965 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.143 7.378 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 12 69.873 7.100 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.505 7.915 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.483 9.180 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.184 8.761 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.305 9.797 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 12 68.643 10.320 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.194 12.036 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.264 11.458 -2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.874 10.952 -2.503 1.00 0.00 H new ATOM 200 N LEU A 13 68.116 5.682 0.676 1.00 0.00 N ATOM 201 CA LEU A 13 67.179 5.160 1.712 1.00 0.00 C ATOM 202 C LEU A 13 66.026 6.143 1.925 1.00 0.00 C ATOM 203 O LEU A 13 66.018 6.913 2.865 1.00 0.00 O ATOM 204 CB LEU A 13 68.018 5.027 2.982 1.00 0.00 C ATOM 205 CG LEU A 13 67.702 3.695 3.661 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.477 2.572 2.970 1.00 0.00 C ATOM 207 CD2 LEU A 13 68.110 3.765 5.134 1.00 0.00 C ATOM 0 H LEU A 13 69.023 5.992 1.025 1.00 0.00 H new ATOM 0 HA LEU A 13 66.733 4.208 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 69.079 5.081 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.805 5.853 3.660 1.00 0.00 H new ATOM 0 HG LEU A 13 66.633 3.495 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.251 1.622 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.187 2.522 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.546 2.771 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.885 2.815 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 13 69.179 3.965 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.557 4.564 5.627 1.00 0.00 H new ATOM 219 N ARG A 14 65.052 6.121 1.058 1.00 0.00 N ATOM 220 CA ARG A 14 63.896 7.050 1.207 1.00 0.00 C ATOM 221 C ARG A 14 62.869 6.461 2.180 1.00 0.00 C ATOM 222 O ARG A 14 62.840 5.271 2.420 1.00 0.00 O ATOM 223 CB ARG A 14 63.306 7.168 -0.201 1.00 0.00 C ATOM 224 CG ARG A 14 61.880 7.718 -0.119 1.00 0.00 C ATOM 225 CD ARG A 14 61.919 9.164 0.377 1.00 0.00 C ATOM 226 NE ARG A 14 60.582 9.393 0.992 1.00 0.00 N ATOM 227 CZ ARG A 14 60.119 10.607 1.112 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.932 11.625 1.038 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.843 10.803 1.308 1.00 0.00 N ATOM 0 H ARG A 14 65.006 5.499 0.251 1.00 0.00 H new ATOM 0 HA ARG A 14 64.188 8.021 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.925 7.826 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.302 6.192 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.404 7.671 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.281 7.107 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.719 9.311 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 14 62.101 9.858 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 14 60.029 8.601 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.929 11.472 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.571 12.574 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.208 10.007 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.481 11.752 1.402 1.00 0.00 H new ATOM 243 N ALA A 15 62.028 7.286 2.741 1.00 0.00 N ATOM 244 CA ALA A 15 61.006 6.771 3.697 1.00 0.00 C ATOM 245 C ALA A 15 59.758 7.655 3.666 1.00 0.00 C ATOM 246 O ALA A 15 59.822 8.845 3.903 1.00 0.00 O ATOM 247 CB ALA A 15 61.675 6.838 5.069 1.00 0.00 C ATOM 0 H ALA A 15 62.004 8.293 2.579 1.00 0.00 H new ATOM 0 HA ALA A 15 60.684 5.759 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.984 6.474 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.571 6.218 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.948 7.870 5.291 1.00 0.00 H new ATOM 253 N LEU A 16 58.622 7.083 3.377 1.00 0.00 N ATOM 254 CA LEU A 16 57.372 7.893 3.334 1.00 0.00 C ATOM 255 C LEU A 16 56.885 8.190 4.754 1.00 0.00 C ATOM 256 O LEU A 16 55.969 8.963 4.958 1.00 0.00 O ATOM 257 CB LEU A 16 56.362 7.017 2.591 1.00 0.00 C ATOM 258 CG LEU A 16 56.061 7.635 1.226 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.723 6.527 0.227 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.872 8.589 1.352 1.00 0.00 C ATOM 0 H LEU A 16 58.505 6.091 3.169 1.00 0.00 H new ATOM 0 HA LEU A 16 57.518 8.855 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.760 6.010 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.444 6.928 3.172 1.00 0.00 H new ATOM 0 HG LEU A 16 56.934 8.185 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.508 6.968 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.570 5.846 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.850 5.976 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.656 9.031 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.999 8.038 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.113 9.379 2.064 1.00 0.00 H new ATOM 272 N HIS A 17 57.487 7.580 5.736 1.00 0.00 N ATOM 273 CA HIS A 17 57.057 7.825 7.141 1.00 0.00 C ATOM 274 C HIS A 17 57.918 8.921 7.779 1.00 0.00 C ATOM 275 O HIS A 17 57.862 9.149 8.971 1.00 0.00 O ATOM 276 CB HIS A 17 57.263 6.490 7.855 1.00 0.00 C ATOM 277 CG HIS A 17 56.390 6.432 9.077 1.00 0.00 C ATOM 278 ND1 HIS A 17 56.334 7.467 9.998 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.530 5.469 9.545 1.00 0.00 C ATOM 280 CE1 HIS A 17 55.469 7.106 10.964 1.00 0.00 C ATOM 281 NE2 HIS A 17 54.951 5.897 10.736 1.00 0.00 N ATOM 0 H HIS A 17 58.259 6.922 5.627 1.00 0.00 H new ATOM 0 HA HIS A 17 56.023 8.164 7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 17 57.021 5.666 7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 17 58.309 6.375 8.137 1.00 0.00 H new ATOM 0 HD1 HIS A 17 56.854 8.343 9.952 1.00 0.00 H new ATOM 0 HD2 HIS A 17 55.333 4.523 9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 17 55.224 7.719 11.819 1.00 0.00 H new ATOM 289 N SER A 18 58.712 9.604 6.997 1.00 0.00 N ATOM 290 CA SER A 18 59.567 10.685 7.574 1.00 0.00 C ATOM 291 C SER A 18 59.803 11.788 6.544 1.00 0.00 C ATOM 292 O SER A 18 60.820 12.453 6.558 1.00 0.00 O ATOM 293 CB SER A 18 60.882 10.002 7.948 1.00 0.00 C ATOM 294 OG SER A 18 60.734 9.352 9.204 1.00 0.00 O ATOM 0 H SER A 18 58.806 9.462 5.991 1.00 0.00 H new ATOM 0 HA SER A 18 59.099 11.159 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 18 61.160 9.278 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.685 10.737 7.999 1.00 0.00 H new ATOM 0 HG SER A 18 59.783 9.295 9.433 1.00 0.00 H new ATOM 300 N ALA A 19 58.855 11.983 5.671 1.00 0.00 N ATOM 301 CA ALA A 19 58.964 13.047 4.620 1.00 0.00 C ATOM 302 C ALA A 19 60.425 13.351 4.269 1.00 0.00 C ATOM 303 O ALA A 19 60.841 14.492 4.249 1.00 0.00 O ATOM 304 CB ALA A 19 58.303 14.277 5.241 1.00 0.00 C ATOM 0 H ALA A 19 57.991 11.442 5.637 1.00 0.00 H new ATOM 0 HA ALA A 19 58.489 12.736 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.340 15.106 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.264 14.050 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 19 58.833 14.554 6.152 1.00 0.00 H new ATOM 310 N CYS A 20 61.210 12.345 3.994 1.00 0.00 N ATOM 311 CA CYS A 20 62.640 12.597 3.648 1.00 0.00 C ATOM 312 C CYS A 20 63.331 11.299 3.222 1.00 0.00 C ATOM 313 O CYS A 20 62.714 10.257 3.126 1.00 0.00 O ATOM 314 CB CYS A 20 63.269 13.135 4.934 1.00 0.00 C ATOM 315 SG CYS A 20 64.374 14.513 4.536 1.00 0.00 S ATOM 0 H CYS A 20 60.926 11.365 3.993 1.00 0.00 H new ATOM 0 HA CYS A 20 62.740 13.294 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.490 13.466 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 20 63.824 12.344 5.438 1.00 0.00 H new ATOM 0 HG CYS A 20 64.907 14.972 5.629 1.00 0.00 H new ATOM 321 N LYS A 21 64.610 11.358 2.967 1.00 0.00 N ATOM 322 CA LYS A 21 65.351 10.134 2.549 1.00 0.00 C ATOM 323 C LYS A 21 66.773 10.162 3.119 1.00 0.00 C ATOM 324 O LYS A 21 67.109 11.009 3.923 1.00 0.00 O ATOM 325 CB LYS A 21 65.383 10.192 1.021 1.00 0.00 C ATOM 326 CG LYS A 21 65.854 11.577 0.572 1.00 0.00 C ATOM 327 CD LYS A 21 64.779 12.224 -0.304 1.00 0.00 C ATOM 328 CE LYS A 21 64.772 11.560 -1.684 1.00 0.00 C ATOM 329 NZ LYS A 21 63.623 12.179 -2.402 1.00 0.00 N ATOM 0 H LYS A 21 65.175 12.205 3.031 1.00 0.00 H new ATOM 0 HA LYS A 21 64.880 9.220 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 66.052 9.425 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.392 9.985 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.055 12.203 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 21 66.788 11.493 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 21 63.801 12.119 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 21 64.972 13.292 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.709 11.737 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 21 64.651 10.480 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.552 11.775 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 62.744 11.989 -1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 63.769 13.206 -2.471 1.00 0.00 H new ATOM 343 N PHE A 22 67.609 9.246 2.712 1.00 0.00 N ATOM 344 CA PHE A 22 69.005 9.229 3.237 1.00 0.00 C ATOM 345 C PHE A 22 69.949 8.580 2.220 1.00 0.00 C ATOM 346 O PHE A 22 70.246 7.405 2.298 1.00 0.00 O ATOM 347 CB PHE A 22 68.938 8.390 4.515 1.00 0.00 C ATOM 348 CG PHE A 22 70.313 8.297 5.134 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.171 9.403 5.105 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.729 7.104 5.736 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.445 9.316 5.680 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.002 7.016 6.311 1.00 0.00 C ATOM 353 CZ PHE A 22 72.861 8.122 6.282 1.00 0.00 C ATOM 0 H PHE A 22 67.387 8.511 2.041 1.00 0.00 H new ATOM 0 HA PHE A 22 69.385 10.233 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.240 8.840 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.562 7.392 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.850 10.323 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.067 6.251 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.106 10.169 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.322 6.096 6.777 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.844 8.054 6.724 1.00 0.00 H new ATOM 363 N GLY A 23 70.429 9.338 1.272 1.00 0.00 N ATOM 364 CA GLY A 23 71.361 8.763 0.262 1.00 0.00 C ATOM 365 C GLY A 23 72.638 8.310 0.971 1.00 0.00 C ATOM 366 O GLY A 23 73.542 9.089 1.200 1.00 0.00 O ATOM 0 H GLY A 23 70.216 10.329 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 23 70.893 7.920 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.596 9.506 -0.501 1.00 0.00 H new ATOM 370 N VAL A 24 72.712 7.061 1.334 1.00 0.00 N ATOM 371 CA VAL A 24 73.925 6.561 2.044 1.00 0.00 C ATOM 372 C VAL A 24 74.823 5.765 1.091 1.00 0.00 C ATOM 373 O VAL A 24 74.361 5.170 0.137 1.00 0.00 O ATOM 374 CB VAL A 24 73.382 5.662 3.156 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.918 4.330 2.560 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.483 5.403 4.187 1.00 0.00 C ATOM 0 H VAL A 24 71.986 6.363 1.171 1.00 0.00 H new ATOM 0 HA VAL A 24 74.538 7.374 2.434 1.00 0.00 H new ATOM 0 HB VAL A 24 72.539 6.155 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.532 3.691 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.132 4.513 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.759 3.836 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.096 4.762 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.327 4.912 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.811 6.350 4.614 1.00 0.00 H new ATOM 386 N ALA A 25 76.103 5.749 1.349 1.00 0.00 N ATOM 387 CA ALA A 25 77.037 4.989 0.466 1.00 0.00 C ATOM 388 C ALA A 25 77.980 4.132 1.315 1.00 0.00 C ATOM 389 O ALA A 25 78.282 4.460 2.446 1.00 0.00 O ATOM 390 CB ALA A 25 77.825 6.056 -0.295 1.00 0.00 C ATOM 0 H ALA A 25 76.543 6.230 2.134 1.00 0.00 H new ATOM 0 HA ALA A 25 76.510 4.315 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.535 5.574 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.137 6.672 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.365 6.684 0.414 1.00 0.00 H new ATOM 396 N ALA A 26 78.447 3.036 0.782 1.00 0.00 N ATOM 397 CA ALA A 26 79.367 2.162 1.564 1.00 0.00 C ATOM 398 C ALA A 26 79.937 1.057 0.670 1.00 0.00 C ATOM 399 O ALA A 26 79.226 0.442 -0.100 1.00 0.00 O ATOM 400 CB ALA A 26 78.498 1.561 2.668 1.00 0.00 C ATOM 0 H ALA A 26 78.232 2.708 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 26 80.216 2.714 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.104 0.902 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.085 2.361 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.684 0.990 2.220 1.00 0.00 H new ATOM 406 N ARG A 27 81.213 0.798 0.767 1.00 0.00 N ATOM 407 CA ARG A 27 81.822 -0.269 -0.077 1.00 0.00 C ATOM 408 C ARG A 27 80.984 -1.546 0.006 1.00 0.00 C ATOM 409 O ARG A 27 80.454 -2.018 -0.980 1.00 0.00 O ATOM 410 CB ARG A 27 83.213 -0.500 0.514 1.00 0.00 C ATOM 411 CG ARG A 27 84.263 -0.410 -0.596 1.00 0.00 C ATOM 412 CD ARG A 27 85.377 0.549 -0.172 1.00 0.00 C ATOM 413 NE ARG A 27 86.512 -0.331 0.222 1.00 0.00 N ATOM 414 CZ ARG A 27 87.314 0.032 1.184 1.00 0.00 C ATOM 415 NH1 ARG A 27 86.827 0.366 2.349 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.602 0.065 0.982 1.00 0.00 N ATOM 0 H ARG A 27 81.859 1.278 1.393 1.00 0.00 H new ATOM 0 HA ARG A 27 81.871 0.013 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.420 0.242 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.258 -1.478 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 27 84.677 -1.397 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.801 -0.061 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.658 1.214 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.060 1.180 0.658 1.00 0.00 H new ATOM 0 HE ARG A 27 86.662 -1.217 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 27 85.819 0.343 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 27 87.454 0.650 3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 27 88.982 -0.193 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 27 89.229 0.349 1.735 1.00 0.00 H new ATOM 430 N SER A 28 80.856 -2.108 1.178 1.00 0.00 N ATOM 431 CA SER A 28 80.047 -3.351 1.323 1.00 0.00 C ATOM 432 C SER A 28 78.554 -3.005 1.335 1.00 0.00 C ATOM 433 O SER A 28 78.000 -2.639 2.352 1.00 0.00 O ATOM 434 CB SER A 28 80.472 -3.948 2.665 1.00 0.00 C ATOM 435 OG SER A 28 81.743 -4.568 2.520 1.00 0.00 O ATOM 0 H SER A 28 81.276 -1.760 2.040 1.00 0.00 H new ATOM 0 HA SER A 28 80.207 -4.049 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 28 80.519 -3.168 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.735 -4.677 3.002 1.00 0.00 H new ATOM 0 HG SER A 28 82.020 -4.951 3.379 1.00 0.00 H new ATOM 441 N CYS A 29 77.904 -3.112 0.207 1.00 0.00 N ATOM 442 CA CYS A 29 76.449 -2.786 0.146 1.00 0.00 C ATOM 443 C CYS A 29 75.725 -3.329 1.381 1.00 0.00 C ATOM 444 O CYS A 29 74.725 -2.789 1.813 1.00 0.00 O ATOM 445 CB CYS A 29 75.943 -3.477 -1.120 1.00 0.00 C ATOM 446 SG CYS A 29 76.029 -5.272 -0.900 1.00 0.00 S ATOM 0 H CYS A 29 78.318 -3.411 -0.676 1.00 0.00 H new ATOM 0 HA CYS A 29 76.270 -1.711 0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.917 -3.174 -1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.544 -3.175 -1.978 1.00 0.00 H new ATOM 0 HG CYS A 29 75.597 -5.862 -1.975 1.00 0.00 H new ATOM 452 N GLN A 30 76.218 -4.392 1.953 1.00 0.00 N ATOM 453 CA GLN A 30 75.553 -4.966 3.158 1.00 0.00 C ATOM 454 C GLN A 30 75.513 -3.929 4.284 1.00 0.00 C ATOM 455 O GLN A 30 74.664 -3.974 5.151 1.00 0.00 O ATOM 456 CB GLN A 30 76.418 -6.160 3.560 1.00 0.00 C ATOM 457 CG GLN A 30 75.574 -7.154 4.362 1.00 0.00 C ATOM 458 CD GLN A 30 76.081 -8.575 4.108 1.00 0.00 C ATOM 459 OE1 GLN A 30 76.196 -8.997 2.975 1.00 0.00 O ATOM 460 NE2 GLN A 30 76.392 -9.335 5.123 1.00 0.00 N ATOM 0 H GLN A 30 77.052 -4.888 1.639 1.00 0.00 H new ATOM 0 HA GLN A 30 74.522 -5.260 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.824 -6.644 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.267 -5.824 4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.631 -6.921 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.526 -7.073 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 30 76.295 -8.980 6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 30 76.732 -10.284 4.965 1.00 0.00 H new ATOM 469 N GLU A 31 76.425 -2.996 4.278 1.00 0.00 N ATOM 470 CA GLU A 31 76.438 -1.960 5.349 1.00 0.00 C ATOM 471 C GLU A 31 75.252 -1.012 5.180 1.00 0.00 C ATOM 472 O GLU A 31 74.493 -0.777 6.100 1.00 0.00 O ATOM 473 CB GLU A 31 77.756 -1.209 5.158 1.00 0.00 C ATOM 474 CG GLU A 31 78.752 -1.641 6.235 1.00 0.00 C ATOM 475 CD GLU A 31 80.090 -1.992 5.583 1.00 0.00 C ATOM 476 OE1 GLU A 31 80.718 -1.095 5.045 1.00 0.00 O ATOM 477 OE2 GLU A 31 80.463 -3.153 5.631 1.00 0.00 O ATOM 0 H GLU A 31 77.161 -2.906 3.578 1.00 0.00 H new ATOM 0 HA GLU A 31 76.358 -2.395 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.163 -1.414 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.586 -0.134 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.889 -0.840 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 31 78.364 -2.502 6.780 1.00 0.00 H new ATOM 484 N LEU A 32 75.088 -0.464 4.011 1.00 0.00 N ATOM 485 CA LEU A 32 73.952 0.473 3.779 1.00 0.00 C ATOM 486 C LEU A 32 72.619 -0.242 4.019 1.00 0.00 C ATOM 487 O LEU A 32 71.667 0.343 4.496 1.00 0.00 O ATOM 488 CB LEU A 32 74.077 0.900 2.315 1.00 0.00 C ATOM 489 CG LEU A 32 75.366 1.703 2.124 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.374 2.335 0.730 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.445 2.806 3.182 1.00 0.00 C ATOM 0 H LEU A 32 75.691 -0.623 3.204 1.00 0.00 H new ATOM 0 HA LEU A 32 73.980 1.328 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 32 74.084 0.022 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.215 1.502 2.026 1.00 0.00 H new ATOM 0 HG LEU A 32 76.223 1.038 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.292 2.907 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.320 1.551 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.515 2.998 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.363 3.377 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.586 3.470 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.441 2.358 4.176 1.00 0.00 H new ATOM 503 N LEU A 33 72.544 -1.504 3.694 1.00 0.00 N ATOM 504 CA LEU A 33 71.272 -2.253 3.906 1.00 0.00 C ATOM 505 C LEU A 33 70.993 -2.401 5.404 1.00 0.00 C ATOM 506 O LEU A 33 70.025 -1.879 5.918 1.00 0.00 O ATOM 507 CB LEU A 33 71.500 -3.620 3.259 1.00 0.00 C ATOM 508 CG LEU A 33 71.067 -3.567 1.792 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.596 -4.800 1.058 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.539 -3.543 1.714 1.00 0.00 C ATOM 0 H LEU A 33 73.307 -2.048 3.291 1.00 0.00 H new ATOM 0 HA LEU A 33 70.413 -1.741 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.552 -3.897 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.933 -4.385 3.790 1.00 0.00 H new ATOM 0 HG LEU A 33 71.470 -2.668 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.287 -4.762 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.684 -4.818 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.194 -5.700 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.229 -3.505 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.137 -4.443 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.162 -2.664 2.237 1.00 0.00 H new ATOM 522 N ARG A 34 71.838 -3.103 6.111 1.00 0.00 N ATOM 523 CA ARG A 34 71.616 -3.271 7.575 1.00 0.00 C ATOM 524 C ARG A 34 71.530 -1.899 8.243 1.00 0.00 C ATOM 525 O ARG A 34 70.505 -1.515 8.773 1.00 0.00 O ATOM 526 CB ARG A 34 72.838 -4.040 8.081 1.00 0.00 C ATOM 527 CG ARG A 34 72.537 -5.540 8.072 1.00 0.00 C ATOM 528 CD ARG A 34 72.662 -6.094 9.494 1.00 0.00 C ATOM 529 NE ARG A 34 73.441 -7.356 9.352 1.00 0.00 N ATOM 530 CZ ARG A 34 72.856 -8.508 9.534 1.00 0.00 C ATOM 531 NH1 ARG A 34 72.149 -8.716 10.612 1.00 0.00 N ATOM 532 NH2 ARG A 34 72.976 -9.450 8.639 1.00 0.00 N ATOM 0 H ARG A 34 72.668 -3.565 5.740 1.00 0.00 H new ATOM 0 HA ARG A 34 70.689 -3.799 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.701 -3.828 7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.093 -3.716 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.533 -5.718 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.229 -6.057 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.172 -5.388 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 34 71.682 -6.283 9.931 1.00 0.00 H new ATOM 0 HE ARG A 34 74.432 -7.319 9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 34 72.055 -7.978 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 34 71.691 -9.616 10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 34 73.527 -9.286 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 34 72.518 -10.350 8.782 1.00 0.00 H new ATOM 546 N LYS A 35 72.596 -1.153 8.211 1.00 0.00 N ATOM 547 CA LYS A 35 72.578 0.201 8.833 1.00 0.00 C ATOM 548 C LYS A 35 71.347 0.971 8.349 1.00 0.00 C ATOM 549 O LYS A 35 70.819 1.818 9.042 1.00 0.00 O ATOM 550 CB LYS A 35 73.864 0.877 8.351 1.00 0.00 C ATOM 551 CG LYS A 35 75.071 0.024 8.750 1.00 0.00 C ATOM 552 CD LYS A 35 76.352 0.845 8.590 1.00 0.00 C ATOM 553 CE LYS A 35 76.371 1.497 7.207 1.00 0.00 C ATOM 554 NZ LYS A 35 75.636 2.783 7.375 1.00 0.00 N ATOM 0 H LYS A 35 73.481 -1.421 7.781 1.00 0.00 H new ATOM 0 HA LYS A 35 72.528 0.164 9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.837 1.004 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.949 1.873 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 35 74.968 -0.311 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 35 75.119 -0.870 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 76.406 1.610 9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 35 77.225 0.204 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.392 1.668 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.889 0.861 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.746 2.747 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.426 2.934 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.222 3.566 7.023 1.00 0.00 H new ATOM 568 N GLY A 36 70.885 0.676 7.164 1.00 0.00 N ATOM 569 CA GLY A 36 69.686 1.383 6.634 1.00 0.00 C ATOM 570 C GLY A 36 68.483 1.082 7.530 1.00 0.00 C ATOM 571 O GLY A 36 67.768 1.972 7.944 1.00 0.00 O ATOM 0 H GLY A 36 71.287 -0.024 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.869 2.457 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.482 1.062 5.613 1.00 0.00 H new ATOM 575 N CYS A 37 68.256 -0.167 7.838 1.00 0.00 N ATOM 576 CA CYS A 37 67.100 -0.517 8.712 1.00 0.00 C ATOM 577 C CYS A 37 67.377 -0.069 10.149 1.00 0.00 C ATOM 578 O CYS A 37 66.488 -0.011 10.973 1.00 0.00 O ATOM 579 CB CYS A 37 66.986 -2.039 8.639 1.00 0.00 C ATOM 580 SG CYS A 37 65.762 -2.607 9.845 1.00 0.00 S ATOM 0 H CYS A 37 68.819 -0.957 7.523 1.00 0.00 H new ATOM 0 HA CYS A 37 66.179 -0.028 8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.693 -2.345 7.635 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.954 -2.498 8.842 1.00 0.00 H new ATOM 0 HG CYS A 37 64.693 -3.007 9.223 1.00 0.00 H new ATOM 586 N VAL A 38 68.607 0.248 10.454 1.00 0.00 N ATOM 587 CA VAL A 38 68.939 0.695 11.836 1.00 0.00 C ATOM 588 C VAL A 38 68.555 2.166 12.015 1.00 0.00 C ATOM 589 O VAL A 38 67.897 2.535 12.966 1.00 0.00 O ATOM 590 CB VAL A 38 70.452 0.515 11.960 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.923 1.045 13.315 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.798 -0.971 11.846 1.00 0.00 C ATOM 0 H VAL A 38 69.394 0.217 9.806 1.00 0.00 H new ATOM 0 HA VAL A 38 68.401 0.129 12.596 1.00 0.00 H new ATOM 0 HB VAL A 38 70.949 1.068 11.163 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.002 0.916 13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.677 2.104 13.397 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.427 0.494 14.114 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.877 -1.101 11.934 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.299 -1.523 12.643 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.465 -1.349 10.880 1.00 0.00 H new ATOM 602 N ARG A 39 68.959 3.009 11.102 1.00 0.00 N ATOM 603 CA ARG A 39 68.611 4.454 11.214 1.00 0.00 C ATOM 604 C ARG A 39 67.130 4.663 10.889 1.00 0.00 C ATOM 605 O ARG A 39 66.496 5.573 11.386 1.00 0.00 O ATOM 606 CB ARG A 39 69.492 5.156 10.178 1.00 0.00 C ATOM 607 CG ARG A 39 70.443 6.123 10.884 1.00 0.00 C ATOM 608 CD ARG A 39 71.762 5.411 11.192 1.00 0.00 C ATOM 609 NE ARG A 39 72.822 6.357 10.749 1.00 0.00 N ATOM 610 CZ ARG A 39 74.037 5.927 10.538 1.00 0.00 C ATOM 611 NH1 ARG A 39 74.299 5.197 9.488 1.00 0.00 N ATOM 612 NH2 ARG A 39 74.989 6.225 11.380 1.00 0.00 N ATOM 0 H ARG A 39 69.515 2.759 10.284 1.00 0.00 H new ATOM 0 HA ARG A 39 68.776 4.844 12.218 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.061 4.419 9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.871 5.697 9.464 1.00 0.00 H new ATOM 0 HG2 ARG A 39 70.626 6.994 10.254 1.00 0.00 H new ATOM 0 HG3 ARG A 39 69.990 6.486 11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 39 71.851 5.188 12.255 1.00 0.00 H new ATOM 0 HD3 ARG A 39 71.832 4.462 10.660 1.00 0.00 H new ATOM 0 HE ARG A 39 72.599 7.343 10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 39 73.555 4.962 8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 39 75.248 4.862 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 39 74.784 6.793 12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 39 75.938 5.890 11.216 1.00 0.00 H new ATOM 626 N PHE A 40 66.574 3.821 10.062 1.00 0.00 N ATOM 627 CA PHE A 40 65.134 3.963 9.705 1.00 0.00 C ATOM 628 C PHE A 40 64.277 3.095 10.630 1.00 0.00 C ATOM 629 O PHE A 40 63.067 3.208 10.661 1.00 0.00 O ATOM 630 CB PHE A 40 65.032 3.468 8.260 1.00 0.00 C ATOM 631 CG PHE A 40 65.198 4.626 7.301 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.812 5.813 7.726 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.738 4.511 5.984 1.00 0.00 C ATOM 634 CE1 PHE A 40 65.965 6.880 6.833 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.892 5.579 5.092 1.00 0.00 C ATOM 636 CZ PHE A 40 65.505 6.763 5.515 1.00 0.00 C ATOM 0 H PHE A 40 67.056 3.039 9.617 1.00 0.00 H new ATOM 0 HA PHE A 40 64.780 4.989 9.809 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.798 2.716 8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.067 2.988 8.099 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.167 5.904 8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 40 64.264 3.598 5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.438 7.794 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.537 5.489 4.076 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.624 7.586 4.826 1.00 0.00 H new ATOM 646 N GLN A 41 64.896 2.227 11.384 1.00 0.00 N ATOM 647 CA GLN A 41 64.118 1.349 12.304 1.00 0.00 C ATOM 648 C GLN A 41 62.988 0.658 11.536 1.00 0.00 C ATOM 649 O GLN A 41 61.863 1.117 11.525 1.00 0.00 O ATOM 650 CB GLN A 41 63.542 2.290 13.366 1.00 0.00 C ATOM 651 CG GLN A 41 64.612 3.295 13.806 1.00 0.00 C ATOM 652 CD GLN A 41 65.699 2.573 14.604 1.00 0.00 C ATOM 653 OE1 GLN A 41 65.589 1.393 14.875 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.754 3.236 14.996 1.00 0.00 N ATOM 0 H GLN A 41 65.906 2.088 11.403 1.00 0.00 H new ATOM 0 HA GLN A 41 64.734 0.566 12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 41 62.677 2.818 12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.195 1.715 14.225 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.049 3.781 12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 41 64.161 4.079 14.414 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.847 4.226 14.769 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.484 2.764 15.529 1.00 0.00 H new ATOM 663 N LEU A 42 63.278 -0.436 10.885 1.00 0.00 N ATOM 664 CA LEU A 42 62.213 -1.140 10.114 1.00 0.00 C ATOM 665 C LEU A 42 62.158 -2.623 10.493 1.00 0.00 C ATOM 666 O LEU A 42 63.039 -3.387 10.149 1.00 0.00 O ATOM 667 CB LEU A 42 62.617 -0.983 8.650 1.00 0.00 C ATOM 668 CG LEU A 42 61.363 -0.965 7.777 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.624 -2.294 7.921 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.447 0.175 8.225 1.00 0.00 C ATOM 0 H LEU A 42 64.200 -0.871 10.853 1.00 0.00 H new ATOM 0 HA LEU A 42 61.225 -0.728 10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.182 -0.061 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.270 -1.803 8.351 1.00 0.00 H new ATOM 0 HG LEU A 42 61.648 -0.817 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.729 -2.282 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.275 -3.109 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.339 -2.441 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.552 0.189 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.163 0.025 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 42 60.973 1.125 8.125 1.00 0.00 H new ATOM 682 N PRO A 43 61.112 -2.982 11.185 1.00 0.00 N ATOM 683 CA PRO A 43 60.927 -4.389 11.608 1.00 0.00 C ATOM 684 C PRO A 43 60.439 -5.236 10.429 1.00 0.00 C ATOM 685 O PRO A 43 60.053 -4.720 9.398 1.00 0.00 O ATOM 686 CB PRO A 43 59.859 -4.298 12.692 1.00 0.00 C ATOM 687 CG PRO A 43 59.097 -3.043 12.394 1.00 0.00 C ATOM 688 CD PRO A 43 60.016 -2.119 11.635 1.00 0.00 C ATOM 0 HA PRO A 43 61.845 -4.858 11.962 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.204 -5.169 12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.308 -4.259 13.684 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.207 -3.266 11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.759 -2.573 13.317 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.504 -1.655 10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.381 -1.312 12.270 1.00 0.00 H new ATOM 696 N MET A 44 60.460 -6.534 10.567 1.00 0.00 N ATOM 697 CA MET A 44 60.005 -7.413 9.450 1.00 0.00 C ATOM 698 C MET A 44 58.490 -7.652 9.519 1.00 0.00 C ATOM 699 O MET A 44 57.809 -7.580 8.517 1.00 0.00 O ATOM 700 CB MET A 44 60.761 -8.726 9.652 1.00 0.00 C ATOM 701 CG MET A 44 61.159 -9.301 8.292 1.00 0.00 C ATOM 702 SD MET A 44 61.865 -10.951 8.518 1.00 0.00 S ATOM 703 CE MET A 44 60.814 -11.811 7.322 1.00 0.00 C ATOM 0 H MET A 44 60.773 -7.025 11.405 1.00 0.00 H new ATOM 0 HA MET A 44 60.202 -6.965 8.476 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.649 -8.556 10.261 1.00 0.00 H new ATOM 0 HB3 MET A 44 60.136 -9.438 10.191 1.00 0.00 H new ATOM 0 HG2 MET A 44 60.288 -9.353 7.638 1.00 0.00 H new ATOM 0 HG3 MET A 44 61.884 -8.647 7.807 1.00 0.00 H new ATOM 0 HE1 MET A 44 61.082 -12.867 7.296 1.00 0.00 H new ATOM 0 HE2 MET A 44 59.769 -11.708 7.616 1.00 0.00 H new ATOM 0 HE3 MET A 44 60.957 -11.376 6.333 1.00 0.00 H new ATOM 713 N PRO A 45 58.016 -7.943 10.701 1.00 0.00 N ATOM 714 CA PRO A 45 56.572 -8.209 10.894 1.00 0.00 C ATOM 715 C PRO A 45 55.788 -6.899 10.981 1.00 0.00 C ATOM 716 O PRO A 45 56.104 -6.024 11.764 1.00 0.00 O ATOM 717 CB PRO A 45 56.525 -8.961 12.220 1.00 0.00 C ATOM 718 CG PRO A 45 57.758 -8.545 12.963 1.00 0.00 C ATOM 719 CD PRO A 45 58.767 -8.048 11.954 1.00 0.00 C ATOM 0 HA PRO A 45 56.127 -8.770 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 45 55.625 -8.709 12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 45 56.509 -10.039 12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 45 57.522 -7.762 13.684 1.00 0.00 H new ATOM 0 HG3 PRO A 45 58.165 -9.385 13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 45 59.181 -7.084 12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.604 -8.739 11.857 1.00 0.00 H new ATOM 727 N GLY A 46 54.763 -6.757 10.186 1.00 0.00 N ATOM 728 CA GLY A 46 53.958 -5.505 10.226 1.00 0.00 C ATOM 729 C GLY A 46 54.578 -4.466 9.290 1.00 0.00 C ATOM 730 O GLY A 46 53.884 -3.754 8.592 1.00 0.00 O ATOM 0 H GLY A 46 54.449 -7.454 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 46 52.930 -5.712 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.922 -5.117 11.244 1.00 0.00 H new ATOM 734 N SER A 47 55.878 -4.370 9.273 1.00 0.00 N ATOM 735 CA SER A 47 56.540 -3.373 8.384 1.00 0.00 C ATOM 736 C SER A 47 56.723 -3.950 6.977 1.00 0.00 C ATOM 737 O SER A 47 56.312 -5.055 6.691 1.00 0.00 O ATOM 738 CB SER A 47 57.897 -3.108 9.030 1.00 0.00 C ATOM 739 OG SER A 47 58.055 -1.710 9.235 1.00 0.00 O ATOM 0 H SER A 47 56.511 -4.938 9.836 1.00 0.00 H new ATOM 0 HA SER A 47 55.950 -2.462 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.970 -3.637 9.980 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.696 -3.486 8.393 1.00 0.00 H new ATOM 0 HG SER A 47 57.568 -1.441 10.042 1.00 0.00 H new ATOM 745 N ARG A 48 57.341 -3.204 6.102 1.00 0.00 N ATOM 746 CA ARG A 48 57.558 -3.697 4.713 1.00 0.00 C ATOM 747 C ARG A 48 58.303 -2.640 3.896 1.00 0.00 C ATOM 748 O ARG A 48 58.054 -1.455 4.016 1.00 0.00 O ATOM 749 CB ARG A 48 56.156 -3.928 4.146 1.00 0.00 C ATOM 750 CG ARG A 48 55.826 -5.421 4.196 1.00 0.00 C ATOM 751 CD ARG A 48 55.301 -5.877 2.833 1.00 0.00 C ATOM 752 NE ARG A 48 54.019 -6.573 3.129 1.00 0.00 N ATOM 753 CZ ARG A 48 53.087 -6.640 2.219 1.00 0.00 C ATOM 754 NH1 ARG A 48 52.832 -5.603 1.470 1.00 0.00 N ATOM 755 NH2 ARG A 48 52.411 -7.744 2.058 1.00 0.00 N ATOM 0 H ARG A 48 57.706 -2.271 6.291 1.00 0.00 H new ATOM 0 HA ARG A 48 58.158 -4.606 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.422 -3.363 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.103 -3.567 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 48 56.715 -5.991 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.080 -5.613 4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.145 -5.029 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 48 56.008 -6.544 2.340 1.00 0.00 H new ATOM 0 HE ARG A 48 53.869 -6.998 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 48 53.361 -4.740 1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 48 52.103 -5.655 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 48 52.611 -8.555 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 48 51.682 -7.797 1.346 1.00 0.00 H new ATOM 769 N LEU A 49 59.220 -3.054 3.067 1.00 0.00 N ATOM 770 CA LEU A 49 59.978 -2.069 2.248 1.00 0.00 C ATOM 771 C LEU A 49 59.558 -2.176 0.781 1.00 0.00 C ATOM 772 O LEU A 49 58.916 -3.125 0.379 1.00 0.00 O ATOM 773 CB LEU A 49 61.447 -2.459 2.423 1.00 0.00 C ATOM 774 CG LEU A 49 62.017 -1.753 3.653 1.00 0.00 C ATOM 775 CD1 LEU A 49 63.136 -2.604 4.257 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.579 -0.391 3.242 1.00 0.00 C ATOM 0 H LEU A 49 59.477 -4.030 2.922 1.00 0.00 H new ATOM 0 HA LEU A 49 59.794 -1.040 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.537 -3.539 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.016 -2.183 1.535 1.00 0.00 H new ATOM 0 HG LEU A 49 61.227 -1.614 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.543 -2.101 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.737 -3.576 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.926 -2.743 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 49 62.986 0.114 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.369 -0.531 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 49 61.783 0.216 2.811 1.00 0.00 H new ATOM 788 N CYS A 50 59.908 -1.209 -0.018 1.00 0.00 N ATOM 789 CA CYS A 50 59.521 -1.260 -1.457 1.00 0.00 C ATOM 790 C CYS A 50 60.501 -0.444 -2.303 1.00 0.00 C ATOM 791 O CYS A 50 61.174 0.443 -1.813 1.00 0.00 O ATOM 792 CB CYS A 50 58.120 -0.646 -1.516 1.00 0.00 C ATOM 793 SG CYS A 50 58.082 0.884 -0.547 1.00 0.00 S ATOM 0 H CYS A 50 60.444 -0.387 0.260 1.00 0.00 H new ATOM 0 HA CYS A 50 59.537 -2.277 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.846 -0.439 -2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.386 -1.352 -1.127 1.00 0.00 H new ATOM 0 HG CYS A 50 59.142 0.950 0.202 1.00 0.00 H new ATOM 799 N LEU A 51 60.587 -0.738 -3.570 1.00 0.00 N ATOM 800 CA LEU A 51 61.520 0.015 -4.455 1.00 0.00 C ATOM 801 C LEU A 51 60.843 1.283 -4.980 1.00 0.00 C ATOM 802 O LEU A 51 59.786 1.231 -5.578 1.00 0.00 O ATOM 803 CB LEU A 51 61.820 -0.941 -5.605 1.00 0.00 C ATOM 804 CG LEU A 51 63.167 -1.620 -5.368 1.00 0.00 C ATOM 805 CD1 LEU A 51 62.957 -3.120 -5.152 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.059 -1.405 -6.590 1.00 0.00 C ATOM 0 H LEU A 51 60.049 -1.471 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 51 62.424 0.330 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.032 -1.690 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.837 -0.396 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 51 63.640 -1.191 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 51 63.920 -3.602 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.316 -3.276 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.485 -3.552 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.023 -1.888 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.581 -1.837 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.210 -0.337 -6.747 1.00 0.00 H new ATOM 818 N TYR A 52 61.446 2.420 -4.762 1.00 0.00 N ATOM 819 CA TYR A 52 60.841 3.693 -5.248 1.00 0.00 C ATOM 820 C TYR A 52 60.990 3.804 -6.768 1.00 0.00 C ATOM 821 O TYR A 52 60.355 4.621 -7.405 1.00 0.00 O ATOM 822 CB TYR A 52 61.635 4.798 -4.550 1.00 0.00 C ATOM 823 CG TYR A 52 61.001 6.137 -4.837 1.00 0.00 C ATOM 824 CD1 TYR A 52 61.260 6.790 -6.048 1.00 0.00 C ATOM 825 CD2 TYR A 52 60.157 6.729 -3.891 1.00 0.00 C ATOM 826 CE1 TYR A 52 60.673 8.033 -6.313 1.00 0.00 C ATOM 827 CE2 TYR A 52 59.570 7.971 -4.154 1.00 0.00 C ATOM 828 CZ TYR A 52 59.829 8.624 -5.366 1.00 0.00 C ATOM 829 OH TYR A 52 59.251 9.850 -5.626 1.00 0.00 O ATOM 0 H TYR A 52 62.332 2.522 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 52 59.775 3.754 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.659 4.619 -3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.668 4.792 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 52 61.913 6.335 -6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 52 59.958 6.226 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 52 60.871 8.536 -7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 52 58.918 8.426 -3.423 1.00 0.00 H new ATOM 0 HH TYR A 52 58.693 10.117 -4.866 1.00 0.00 H new ATOM 839 N GLU A 53 61.825 2.989 -7.351 1.00 0.00 N ATOM 840 CA GLU A 53 62.017 3.049 -8.829 1.00 0.00 C ATOM 841 C GLU A 53 60.664 2.994 -9.544 1.00 0.00 C ATOM 842 O GLU A 53 60.322 3.872 -10.311 1.00 0.00 O ATOM 843 CB GLU A 53 62.855 1.816 -9.169 1.00 0.00 C ATOM 844 CG GLU A 53 63.069 1.749 -10.684 1.00 0.00 C ATOM 845 CD GLU A 53 63.272 0.292 -11.105 1.00 0.00 C ATOM 846 OE1 GLU A 53 63.009 -0.581 -10.294 1.00 0.00 O ATOM 847 OE2 GLU A 53 63.687 0.074 -12.231 1.00 0.00 O ATOM 0 H GLU A 53 62.383 2.284 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 53 62.503 3.972 -9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.816 1.863 -8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.352 0.914 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.209 2.172 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.937 2.345 -10.966 1.00 0.00 H new ATOM 854 N ASP A 54 59.892 1.969 -9.304 1.00 0.00 N ATOM 855 CA ASP A 54 58.565 1.866 -9.978 1.00 0.00 C ATOM 856 C ASP A 54 57.485 1.455 -8.974 1.00 0.00 C ATOM 857 O ASP A 54 56.347 1.228 -9.334 1.00 0.00 O ATOM 858 CB ASP A 54 58.746 0.784 -11.044 1.00 0.00 C ATOM 859 CG ASP A 54 58.268 1.313 -12.397 1.00 0.00 C ATOM 860 OD1 ASP A 54 58.786 2.327 -12.831 1.00 0.00 O ATOM 861 OD2 ASP A 54 57.391 0.692 -12.976 1.00 0.00 O ATOM 0 H ASP A 54 60.121 1.201 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 54 58.248 2.816 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 54 59.794 0.492 -11.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.182 -0.108 -10.771 1.00 0.00 H new ATOM 866 N GLY A 55 57.830 1.361 -7.720 1.00 0.00 N ATOM 867 CA GLY A 55 56.818 0.968 -6.701 1.00 0.00 C ATOM 868 C GLY A 55 56.900 -0.537 -6.446 1.00 0.00 C ATOM 869 O GLY A 55 55.910 -1.182 -6.161 1.00 0.00 O ATOM 0 H GLY A 55 58.767 1.539 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.991 1.514 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.819 1.234 -7.046 1.00 0.00 H new ATOM 873 N THR A 56 58.072 -1.105 -6.537 1.00 0.00 N ATOM 874 CA THR A 56 58.206 -2.571 -6.290 1.00 0.00 C ATOM 875 C THR A 56 58.181 -2.845 -4.785 1.00 0.00 C ATOM 876 O THR A 56 58.113 -1.935 -3.984 1.00 0.00 O ATOM 877 CB THR A 56 59.555 -2.967 -6.895 1.00 0.00 C ATOM 878 OG1 THR A 56 60.118 -1.854 -7.577 1.00 0.00 O ATOM 879 CG2 THR A 56 59.354 -4.121 -7.878 1.00 0.00 C ATOM 0 H THR A 56 58.939 -0.621 -6.770 1.00 0.00 H new ATOM 0 HA THR A 56 57.391 -3.143 -6.734 1.00 0.00 H new ATOM 0 HB THR A 56 60.230 -3.281 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 56 60.982 -2.109 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.315 -4.403 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 56 58.927 -4.976 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 56 58.677 -3.808 -8.673 1.00 0.00 H new ATOM 887 N GLU A 57 58.223 -4.087 -4.390 1.00 0.00 N ATOM 888 CA GLU A 57 58.191 -4.396 -2.931 1.00 0.00 C ATOM 889 C GLU A 57 59.386 -5.265 -2.534 1.00 0.00 C ATOM 890 O GLU A 57 59.754 -6.193 -3.227 1.00 0.00 O ATOM 891 CB GLU A 57 56.881 -5.153 -2.717 1.00 0.00 C ATOM 892 CG GLU A 57 55.703 -4.191 -2.885 1.00 0.00 C ATOM 893 CD GLU A 57 54.474 -4.761 -2.177 1.00 0.00 C ATOM 894 OE1 GLU A 57 54.350 -5.974 -2.130 1.00 0.00 O ATOM 895 OE2 GLU A 57 53.676 -3.975 -1.692 1.00 0.00 O ATOM 0 H GLU A 57 58.278 -4.897 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 57 58.249 -3.494 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.801 -5.972 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.863 -5.596 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.955 -3.215 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 57 55.490 -4.042 -3.943 1.00 0.00 H new ATOM 902 N VAL A 58 59.989 -4.968 -1.416 1.00 0.00 N ATOM 903 CA VAL A 58 61.159 -5.768 -0.955 1.00 0.00 C ATOM 904 C VAL A 58 61.314 -5.637 0.563 1.00 0.00 C ATOM 905 O VAL A 58 60.629 -4.860 1.201 1.00 0.00 O ATOM 906 CB VAL A 58 62.364 -5.162 -1.674 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.634 -5.903 -1.254 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.174 -5.295 -3.186 1.00 0.00 C ATOM 0 H VAL A 58 59.720 -4.202 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 58 61.050 -6.830 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 58 62.453 -4.108 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.494 -5.471 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 58 63.770 -5.810 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.545 -6.957 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.033 -4.863 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.085 -6.349 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.268 -4.768 -3.487 1.00 0.00 H new ATOM 918 N THR A 59 62.208 -6.387 1.146 1.00 0.00 N ATOM 919 CA THR A 59 62.403 -6.299 2.622 1.00 0.00 C ATOM 920 C THR A 59 63.850 -5.916 2.942 1.00 0.00 C ATOM 921 O THR A 59 64.743 -6.097 2.138 1.00 0.00 O ATOM 922 CB THR A 59 62.089 -7.699 3.151 1.00 0.00 C ATOM 923 OG1 THR A 59 63.117 -8.596 2.756 1.00 0.00 O ATOM 924 CG2 THR A 59 60.750 -8.173 2.582 1.00 0.00 C ATOM 0 H THR A 59 62.811 -7.056 0.666 1.00 0.00 H new ATOM 0 HA THR A 59 61.765 -5.541 3.077 1.00 0.00 H new ATOM 0 HB THR A 59 62.030 -7.671 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.917 -9.493 3.096 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.527 -9.171 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 59 59.961 -7.485 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.807 -8.201 1.494 1.00 0.00 H new ATOM 932 N ASP A 60 64.087 -5.384 4.109 1.00 0.00 N ATOM 933 CA ASP A 60 65.471 -4.985 4.482 1.00 0.00 C ATOM 934 C ASP A 60 66.369 -6.220 4.600 1.00 0.00 C ATOM 935 O ASP A 60 67.569 -6.114 4.759 1.00 0.00 O ATOM 936 CB ASP A 60 65.333 -4.291 5.838 1.00 0.00 C ATOM 937 CG ASP A 60 64.522 -5.177 6.784 1.00 0.00 C ATOM 938 OD1 ASP A 60 63.384 -5.475 6.456 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.051 -5.544 7.820 1.00 0.00 O ATOM 0 H ASP A 60 63.379 -5.208 4.822 1.00 0.00 H new ATOM 0 HA ASP A 60 65.926 -4.334 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.319 -4.096 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 60 64.842 -3.326 5.716 1.00 0.00 H new ATOM 944 N ASP A 61 65.798 -7.392 4.525 1.00 0.00 N ATOM 945 CA ASP A 61 66.620 -8.630 4.636 1.00 0.00 C ATOM 946 C ASP A 61 66.716 -9.329 3.276 1.00 0.00 C ATOM 947 O ASP A 61 67.578 -10.157 3.053 1.00 0.00 O ATOM 948 CB ASP A 61 65.873 -9.510 5.639 1.00 0.00 C ATOM 949 CG ASP A 61 66.638 -10.819 5.839 1.00 0.00 C ATOM 950 OD1 ASP A 61 67.852 -10.797 5.724 1.00 0.00 O ATOM 951 OD2 ASP A 61 65.996 -11.822 6.103 1.00 0.00 O ATOM 0 H ASP A 61 64.798 -7.545 4.392 1.00 0.00 H new ATOM 0 HA ASP A 61 67.641 -8.420 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.770 -8.988 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 61 64.866 -9.717 5.278 1.00 0.00 H new ATOM 956 N CYS A 62 65.836 -9.005 2.367 1.00 0.00 N ATOM 957 CA CYS A 62 65.878 -9.653 1.024 1.00 0.00 C ATOM 958 C CYS A 62 66.877 -8.934 0.114 1.00 0.00 C ATOM 959 O CYS A 62 67.594 -9.552 -0.647 1.00 0.00 O ATOM 960 CB CYS A 62 64.458 -9.517 0.473 1.00 0.00 C ATOM 961 SG CYS A 62 64.387 -10.224 -1.191 1.00 0.00 S ATOM 0 H CYS A 62 65.091 -8.321 2.496 1.00 0.00 H new ATOM 0 HA CYS A 62 66.197 -10.694 1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 62 63.752 -10.028 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.166 -8.467 0.447 1.00 0.00 H new ATOM 0 HG CYS A 62 63.180 -10.111 -1.659 1.00 0.00 H new ATOM 967 N PHE A 63 66.928 -7.631 0.185 1.00 0.00 N ATOM 968 CA PHE A 63 67.880 -6.871 -0.678 1.00 0.00 C ATOM 969 C PHE A 63 69.239 -7.574 -0.720 1.00 0.00 C ATOM 970 O PHE A 63 70.023 -7.472 0.203 1.00 0.00 O ATOM 971 CB PHE A 63 67.998 -5.498 -0.016 1.00 0.00 C ATOM 972 CG PHE A 63 66.795 -4.666 -0.381 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.498 -4.418 -1.727 1.00 0.00 C ATOM 974 CD2 PHE A 63 65.971 -4.147 0.625 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.378 -3.649 -2.066 1.00 0.00 C ATOM 976 CE2 PHE A 63 64.851 -3.379 0.285 1.00 0.00 C ATOM 977 CZ PHE A 63 64.555 -3.130 -1.060 1.00 0.00 C ATOM 0 H PHE A 63 66.352 -7.059 0.803 1.00 0.00 H new ATOM 0 HA PHE A 63 67.537 -6.797 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.064 -5.608 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 63 68.911 -5.001 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.133 -4.820 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.199 -4.339 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.149 -3.456 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.215 -2.979 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.691 -2.537 -1.322 1.00 0.00 H new ATOM 987 N PRO A 64 69.468 -8.271 -1.800 1.00 0.00 N ATOM 988 CA PRO A 64 70.738 -9.011 -1.978 1.00 0.00 C ATOM 989 C PRO A 64 71.862 -8.061 -2.412 1.00 0.00 C ATOM 990 O PRO A 64 72.557 -7.492 -1.594 1.00 0.00 O ATOM 991 CB PRO A 64 70.417 -10.009 -3.084 1.00 0.00 C ATOM 992 CG PRO A 64 69.288 -9.400 -3.857 1.00 0.00 C ATOM 993 CD PRO A 64 68.567 -8.438 -2.944 1.00 0.00 C ATOM 0 HA PRO A 64 71.084 -9.490 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.284 -10.179 -3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.132 -10.976 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.665 -8.880 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.607 -10.174 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.376 -7.487 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.601 -8.835 -2.633 1.00 0.00 H new ATOM 1001 N GLY A 65 72.049 -7.891 -3.695 1.00 0.00 N ATOM 1002 CA GLY A 65 73.130 -6.985 -4.179 1.00 0.00 C ATOM 1003 C GLY A 65 72.515 -5.806 -4.931 1.00 0.00 C ATOM 1004 O GLY A 65 72.692 -5.658 -6.124 1.00 0.00 O ATOM 0 H GLY A 65 71.500 -8.341 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.719 -6.624 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.810 -7.531 -4.833 1.00 0.00 H new ATOM 1008 N LEU A 66 71.795 -4.965 -4.244 1.00 0.00 N ATOM 1009 CA LEU A 66 71.167 -3.791 -4.917 1.00 0.00 C ATOM 1010 C LEU A 66 72.163 -3.127 -5.871 1.00 0.00 C ATOM 1011 O LEU A 66 73.356 -3.152 -5.643 1.00 0.00 O ATOM 1012 CB LEU A 66 70.806 -2.834 -3.780 1.00 0.00 C ATOM 1013 CG LEU A 66 69.475 -3.256 -3.158 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.501 -2.974 -1.655 1.00 0.00 C ATOM 1015 CD2 LEU A 66 68.337 -2.464 -3.805 1.00 0.00 C ATOM 0 H LEU A 66 71.613 -5.039 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 66 70.298 -4.074 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.591 -2.840 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.735 -1.814 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 66 69.318 -4.322 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.552 -3.275 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 66 70.312 -3.537 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.658 -1.908 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.387 -2.764 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 66 68.495 -1.398 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.317 -2.664 -4.876 1.00 0.00 H new ATOM 1027 N PRO A 67 71.631 -2.544 -6.911 1.00 0.00 N ATOM 1028 CA PRO A 67 72.477 -1.852 -7.912 1.00 0.00 C ATOM 1029 C PRO A 67 73.013 -0.541 -7.332 1.00 0.00 C ATOM 1030 O PRO A 67 73.033 -0.347 -6.132 1.00 0.00 O ATOM 1031 CB PRO A 67 71.516 -1.584 -9.068 1.00 0.00 C ATOM 1032 CG PRO A 67 70.157 -1.560 -8.444 1.00 0.00 C ATOM 1033 CD PRO A 67 70.205 -2.475 -7.246 1.00 0.00 C ATOM 0 HA PRO A 67 73.348 -2.431 -8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.742 -0.637 -9.558 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.587 -2.361 -9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.888 -0.547 -8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.401 -1.894 -9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.619 -2.079 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.801 -3.460 -7.479 1.00 0.00 H new ATOM 1041 N ASN A 68 73.447 0.358 -8.169 1.00 0.00 N ATOM 1042 CA ASN A 68 73.980 1.653 -7.654 1.00 0.00 C ATOM 1043 C ASN A 68 72.831 2.573 -7.242 1.00 0.00 C ATOM 1044 O ASN A 68 71.743 2.505 -7.779 1.00 0.00 O ATOM 1045 CB ASN A 68 74.763 2.256 -8.820 1.00 0.00 C ATOM 1046 CG ASN A 68 73.796 2.634 -9.943 1.00 0.00 C ATOM 1047 OD1 ASN A 68 72.758 2.023 -10.099 1.00 0.00 O ATOM 1048 ND2 ASN A 68 74.095 3.625 -10.740 1.00 0.00 N ATOM 0 H ASN A 68 73.457 0.255 -9.184 1.00 0.00 H new ATOM 0 HA ASN A 68 74.607 1.518 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.312 3.137 -8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 68 75.500 1.541 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 68 73.457 3.885 -11.492 1.00 0.00 H new ATOM 0 HD22 ASN A 68 74.966 4.139 -10.610 1.00 0.00 H new ATOM 1055 N ASP A 69 73.068 3.430 -6.288 1.00 0.00 N ATOM 1056 CA ASP A 69 71.994 4.356 -5.830 1.00 0.00 C ATOM 1057 C ASP A 69 70.666 3.607 -5.728 1.00 0.00 C ATOM 1058 O ASP A 69 69.614 4.139 -6.026 1.00 0.00 O ATOM 1059 CB ASP A 69 71.921 5.446 -6.897 1.00 0.00 C ATOM 1060 CG ASP A 69 71.606 6.788 -6.236 1.00 0.00 C ATOM 1061 OD1 ASP A 69 71.660 6.853 -5.018 1.00 0.00 O ATOM 1062 OD2 ASP A 69 71.315 7.728 -6.956 1.00 0.00 O ATOM 0 H ASP A 69 73.961 3.529 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 69 72.200 4.773 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 69 72.867 5.507 -7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 69 71.153 5.201 -7.630 1.00 0.00 H new ATOM 1067 N ALA A 70 70.711 2.378 -5.305 1.00 0.00 N ATOM 1068 CA ALA A 70 69.452 1.589 -5.177 1.00 0.00 C ATOM 1069 C ALA A 70 68.382 2.429 -4.473 1.00 0.00 C ATOM 1070 O ALA A 70 68.562 2.869 -3.354 1.00 0.00 O ATOM 1071 CB ALA A 70 69.827 0.371 -4.333 1.00 0.00 C ATOM 0 H ALA A 70 71.563 1.883 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 70 69.044 1.296 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.949 -0.260 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.606 -0.198 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.194 0.701 -3.361 1.00 0.00 H new ATOM 1077 N GLU A 71 67.274 2.666 -5.123 1.00 0.00 N ATOM 1078 CA GLU A 71 66.200 3.491 -4.494 1.00 0.00 C ATOM 1079 C GLU A 71 65.326 2.636 -3.570 1.00 0.00 C ATOM 1080 O GLU A 71 64.522 1.842 -4.017 1.00 0.00 O ATOM 1081 CB GLU A 71 65.376 4.025 -5.666 1.00 0.00 C ATOM 1082 CG GLU A 71 66.186 5.080 -6.420 1.00 0.00 C ATOM 1083 CD GLU A 71 66.634 4.512 -7.768 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.969 3.614 -8.260 1.00 0.00 O ATOM 1085 OE2 GLU A 71 67.633 4.983 -8.285 1.00 0.00 O ATOM 0 H GLU A 71 67.066 2.325 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 71 66.610 4.292 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.107 3.209 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.444 4.458 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 71 65.584 5.976 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 71 67.054 5.376 -5.832 1.00 0.00 H new ATOM 1092 N LEU A 72 65.472 2.803 -2.283 1.00 0.00 N ATOM 1093 CA LEU A 72 64.646 2.011 -1.326 1.00 0.00 C ATOM 1094 C LEU A 72 63.648 2.928 -0.615 1.00 0.00 C ATOM 1095 O LEU A 72 63.868 4.116 -0.486 1.00 0.00 O ATOM 1096 CB LEU A 72 65.647 1.428 -0.328 1.00 0.00 C ATOM 1097 CG LEU A 72 65.845 -0.059 -0.616 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.257 -0.247 -2.078 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.943 -0.613 0.294 1.00 0.00 C ATOM 0 H LEU A 72 66.128 3.454 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 72 64.067 1.232 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.599 1.954 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.284 1.567 0.690 1.00 0.00 H new ATOM 0 HG LEU A 72 64.912 -0.591 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.398 -1.308 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.477 0.148 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.190 0.286 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.085 -1.674 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.875 -0.080 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.653 -0.481 1.336 1.00 0.00 H new ATOM 1111 N LEU A 73 62.550 2.393 -0.153 1.00 0.00 N ATOM 1112 CA LEU A 73 61.547 3.249 0.544 1.00 0.00 C ATOM 1113 C LEU A 73 60.983 2.529 1.774 1.00 0.00 C ATOM 1114 O LEU A 73 60.522 1.407 1.694 1.00 0.00 O ATOM 1115 CB LEU A 73 60.446 3.488 -0.490 1.00 0.00 C ATOM 1116 CG LEU A 73 59.439 4.498 0.064 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.586 5.824 -0.684 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.020 3.958 -0.128 1.00 0.00 C ATOM 0 H LEU A 73 62.305 1.406 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 73 61.984 4.181 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.879 3.861 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.944 2.550 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 73 59.627 4.657 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.869 6.545 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.597 6.207 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.396 5.666 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.301 4.676 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.831 3.801 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.916 3.012 0.403 1.00 0.00 H new ATOM 1130 N LEU A 74 61.014 3.173 2.909 1.00 0.00 N ATOM 1131 CA LEU A 74 60.479 2.540 4.149 1.00 0.00 C ATOM 1132 C LEU A 74 58.947 2.523 4.117 1.00 0.00 C ATOM 1133 O LEU A 74 58.316 3.505 3.779 1.00 0.00 O ATOM 1134 CB LEU A 74 60.976 3.433 5.287 1.00 0.00 C ATOM 1135 CG LEU A 74 61.168 2.591 6.547 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.207 1.505 6.276 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.652 3.486 7.691 1.00 0.00 C ATOM 0 H LEU A 74 61.388 4.114 3.032 1.00 0.00 H new ATOM 0 HA LEU A 74 60.807 1.506 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.916 3.908 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.259 4.232 5.476 1.00 0.00 H new ATOM 0 HG LEU A 74 60.221 2.129 6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.346 0.902 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 74 61.863 0.868 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.154 1.968 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.789 2.885 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.600 3.948 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.912 4.263 7.883 1.00 0.00 H new ATOM 1149 N LEU A 75 58.341 1.419 4.465 1.00 0.00 N ATOM 1150 CA LEU A 75 56.853 1.355 4.450 1.00 0.00 C ATOM 1151 C LEU A 75 56.371 0.346 5.496 1.00 0.00 C ATOM 1152 O LEU A 75 57.110 -0.516 5.917 1.00 0.00 O ATOM 1153 CB LEU A 75 56.504 0.891 3.033 1.00 0.00 C ATOM 1154 CG LEU A 75 55.081 0.328 2.999 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.438 0.657 1.653 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.129 -1.192 3.181 1.00 0.00 C ATOM 0 H LEU A 75 58.811 0.562 4.758 1.00 0.00 H new ATOM 0 HA LEU A 75 56.380 2.307 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.590 1.726 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.212 0.130 2.706 1.00 0.00 H new ATOM 0 HG LEU A 75 54.494 0.773 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.424 0.257 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.405 1.738 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.025 0.211 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.116 -1.593 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.715 -1.636 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.591 -1.429 4.140 1.00 0.00 H new ATOM 1168 N THR A 76 55.144 0.448 5.927 1.00 0.00 N ATOM 1169 CA THR A 76 54.634 -0.515 6.948 1.00 0.00 C ATOM 1170 C THR A 76 53.140 -0.765 6.726 1.00 0.00 C ATOM 1171 O THR A 76 52.496 -0.084 5.952 1.00 0.00 O ATOM 1172 CB THR A 76 54.873 0.155 8.306 1.00 0.00 C ATOM 1173 OG1 THR A 76 53.830 1.084 8.563 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.219 0.886 8.301 1.00 0.00 C ATOM 0 H THR A 76 54.474 1.153 5.619 1.00 0.00 H new ATOM 0 HA THR A 76 55.137 -1.480 6.888 1.00 0.00 H new ATOM 0 HB THR A 76 54.886 -0.608 9.084 1.00 0.00 H new ATOM 0 HG1 THR A 76 53.980 1.512 9.432 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.380 1.359 9.270 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.020 0.172 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.216 1.648 7.521 1.00 0.00 H new ATOM 1182 N ALA A 77 52.581 -1.734 7.397 1.00 0.00 N ATOM 1183 CA ALA A 77 51.129 -2.021 7.217 1.00 0.00 C ATOM 1184 C ALA A 77 50.322 -0.723 7.284 1.00 0.00 C ATOM 1185 O ALA A 77 49.319 -0.568 6.614 1.00 0.00 O ATOM 1186 CB ALA A 77 50.759 -2.947 8.376 1.00 0.00 C ATOM 0 H ALA A 77 53.065 -2.339 8.061 1.00 0.00 H new ATOM 0 HA ALA A 77 50.915 -2.477 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 77 49.702 -3.204 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.358 -3.856 8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 77 50.954 -2.442 9.322 1.00 0.00 H new ATOM 1192 N GLY A 78 50.752 0.212 8.083 1.00 0.00 N ATOM 1193 CA GLY A 78 50.011 1.500 8.187 1.00 0.00 C ATOM 1194 C GLY A 78 50.509 2.465 7.110 1.00 0.00 C ATOM 1195 O GLY A 78 50.302 3.660 7.189 1.00 0.00 O ATOM 0 H GLY A 78 51.584 0.141 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 78 48.941 1.327 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.156 1.936 9.176 1.00 0.00 H new ATOM 1199 N GLU A 79 51.167 1.958 6.102 1.00 0.00 N ATOM 1200 CA GLU A 79 51.676 2.851 5.023 1.00 0.00 C ATOM 1201 C GLU A 79 51.728 2.104 3.687 1.00 0.00 C ATOM 1202 O GLU A 79 51.839 0.895 3.644 1.00 0.00 O ATOM 1203 CB GLU A 79 53.085 3.242 5.468 1.00 0.00 C ATOM 1204 CG GLU A 79 53.209 4.765 5.480 1.00 0.00 C ATOM 1205 CD GLU A 79 54.386 5.190 4.600 1.00 0.00 C ATOM 1206 OE1 GLU A 79 54.214 5.233 3.393 1.00 0.00 O ATOM 1207 OE2 GLU A 79 55.441 5.464 5.149 1.00 0.00 O ATOM 0 H GLU A 79 51.373 0.967 5.980 1.00 0.00 H new ATOM 0 HA GLU A 79 51.034 3.719 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.289 2.842 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.824 2.811 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.287 5.218 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 79 53.357 5.120 6.500 1.00 0.00 H new ATOM 1214 N THR A 80 51.652 2.818 2.597 1.00 0.00 N ATOM 1215 CA THR A 80 51.702 2.154 1.262 1.00 0.00 C ATOM 1216 C THR A 80 52.433 3.044 0.256 1.00 0.00 C ATOM 1217 O THR A 80 52.761 4.179 0.537 1.00 0.00 O ATOM 1218 CB THR A 80 50.244 1.959 0.836 1.00 0.00 C ATOM 1219 OG1 THR A 80 50.181 1.851 -0.580 1.00 0.00 O ATOM 1220 CG2 THR A 80 49.393 3.148 1.292 1.00 0.00 C ATOM 0 H THR A 80 51.557 3.833 2.573 1.00 0.00 H new ATOM 0 HA THR A 80 52.237 1.205 1.305 1.00 0.00 H new ATOM 0 HB THR A 80 49.857 1.050 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 80 49.250 1.724 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.359 2.996 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 80 49.438 3.232 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 80 49.776 4.064 0.841 1.00 0.00 H new ATOM 1228 N TRP A 81 52.690 2.533 -0.916 1.00 0.00 N ATOM 1229 CA TRP A 81 53.399 3.347 -1.945 1.00 0.00 C ATOM 1230 C TRP A 81 52.810 3.081 -3.334 1.00 0.00 C ATOM 1231 O TRP A 81 52.773 1.959 -3.798 1.00 0.00 O ATOM 1232 CB TRP A 81 54.852 2.882 -1.882 1.00 0.00 C ATOM 1233 CG TRP A 81 55.592 3.401 -3.073 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.488 2.695 -3.799 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.512 4.719 -3.688 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.967 3.498 -4.820 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.393 4.754 -4.794 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.768 5.876 -3.397 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.532 5.896 -5.583 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.904 7.027 -4.189 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.785 7.037 -5.280 1.00 0.00 C ATOM 0 H TRP A 81 52.440 1.588 -1.206 1.00 0.00 H new ATOM 0 HA TRP A 81 53.303 4.417 -1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.320 3.240 -0.965 1.00 0.00 H new ATOM 0 HB3 TRP A 81 54.896 1.793 -1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.782 1.673 -3.613 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.659 3.199 -5.507 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.087 5.879 -2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 57.212 5.898 -6.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.327 7.910 -3.957 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.886 7.926 -5.885 1.00 0.00 H new ATOM 1252 N HIS A 82 52.349 4.105 -4.000 1.00 0.00 N ATOM 1253 CA HIS A 82 51.764 3.909 -5.358 1.00 0.00 C ATOM 1254 C HIS A 82 52.864 3.550 -6.361 1.00 0.00 C ATOM 1255 O HIS A 82 53.045 2.403 -6.717 1.00 0.00 O ATOM 1256 CB HIS A 82 51.135 5.255 -5.719 1.00 0.00 C ATOM 1257 CG HIS A 82 49.981 5.536 -4.798 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.705 6.810 -4.329 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.023 4.719 -4.251 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.620 6.725 -3.537 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.165 5.471 -3.455 1.00 0.00 N ATOM 0 H HIS A 82 52.352 5.068 -3.663 1.00 0.00 H new ATOM 0 HA HIS A 82 51.035 3.099 -5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.878 6.048 -5.639 1.00 0.00 H new ATOM 0 HB3 HIS A 82 50.793 5.242 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 82 48.947 3.654 -4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 82 48.172 7.567 -3.030 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.361 5.137 -2.923 1.00 0.00 H new ATOM 1269 N GLY A 83 53.598 4.528 -6.819 1.00 0.00 N ATOM 1270 CA GLY A 83 54.686 4.252 -7.800 1.00 0.00 C ATOM 1271 C GLY A 83 55.365 5.568 -8.182 1.00 0.00 C ATOM 1272 O GLY A 83 54.914 6.636 -7.822 1.00 0.00 O ATOM 0 H GLY A 83 53.491 5.508 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.414 3.565 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.278 3.769 -8.688 1.00 0.00 H new ATOM 1276 N TYR A 84 56.447 5.501 -8.908 1.00 0.00 N ATOM 1277 CA TYR A 84 57.150 6.754 -9.308 1.00 0.00 C ATOM 1278 C TYR A 84 56.751 7.154 -10.731 1.00 0.00 C ATOM 1279 O TYR A 84 56.982 6.430 -11.679 1.00 0.00 O ATOM 1280 CB TYR A 84 58.639 6.415 -9.244 1.00 0.00 C ATOM 1281 CG TYR A 84 59.437 7.521 -9.891 1.00 0.00 C ATOM 1282 CD1 TYR A 84 59.079 8.859 -9.681 1.00 0.00 C ATOM 1283 CD2 TYR A 84 60.535 7.209 -10.702 1.00 0.00 C ATOM 1284 CE1 TYR A 84 59.820 9.884 -10.282 1.00 0.00 C ATOM 1285 CE2 TYR A 84 61.277 8.235 -11.301 1.00 0.00 C ATOM 1286 CZ TYR A 84 60.918 9.572 -11.092 1.00 0.00 C ATOM 1287 OH TYR A 84 61.650 10.583 -11.683 1.00 0.00 O ATOM 0 H TYR A 84 56.874 4.637 -9.241 1.00 0.00 H new ATOM 0 HA TYR A 84 56.896 7.593 -8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.949 6.287 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.830 5.470 -9.752 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.232 9.100 -9.056 1.00 0.00 H new ATOM 0 HD2 TYR A 84 60.810 6.177 -10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.544 10.916 -10.120 1.00 0.00 H new ATOM 0 HE2 TYR A 84 62.126 7.995 -11.924 1.00 0.00 H new ATOM 0 HH TYR A 84 62.378 10.194 -12.211 1.00 0.00 H new ATOM 1297 N VAL A 85 56.153 8.303 -10.888 1.00 0.00 N ATOM 1298 CA VAL A 85 55.740 8.752 -12.246 1.00 0.00 C ATOM 1299 C VAL A 85 56.929 9.380 -12.977 1.00 0.00 C ATOM 1300 O VAL A 85 57.869 9.849 -12.364 1.00 0.00 O ATOM 1301 CB VAL A 85 54.649 9.791 -11.998 1.00 0.00 C ATOM 1302 CG1 VAL A 85 53.526 9.163 -11.170 1.00 0.00 C ATOM 1303 CG2 VAL A 85 55.241 10.978 -11.236 1.00 0.00 C ATOM 0 H VAL A 85 55.932 8.951 -10.132 1.00 0.00 H new ATOM 0 HA VAL A 85 55.386 7.930 -12.868 1.00 0.00 H new ATOM 0 HB VAL A 85 54.249 10.134 -12.952 1.00 0.00 H new ATOM 0 HG11 VAL A 85 52.747 9.904 -10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 85 53.105 8.316 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 85 53.926 8.821 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 85 54.463 11.721 -11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 85 55.640 10.635 -10.281 1.00 0.00 H new ATOM 0 HG23 VAL A 85 56.042 11.425 -11.825 1.00 0.00 H new ATOM 1313 N SER A 86 56.900 9.392 -14.282 1.00 0.00 N ATOM 1314 CA SER A 86 58.034 9.988 -15.047 1.00 0.00 C ATOM 1315 C SER A 86 57.566 11.229 -15.814 1.00 0.00 C ATOM 1316 O SER A 86 57.307 11.175 -16.999 1.00 0.00 O ATOM 1317 CB SER A 86 58.476 8.893 -16.016 1.00 0.00 C ATOM 1318 OG SER A 86 59.895 8.861 -16.072 1.00 0.00 O ATOM 0 H SER A 86 56.142 9.016 -14.851 1.00 0.00 H new ATOM 0 HA SER A 86 58.847 10.309 -14.395 1.00 0.00 H new ATOM 0 HB2 SER A 86 58.091 7.926 -15.691 1.00 0.00 H new ATOM 0 HB3 SER A 86 58.066 9.082 -17.008 1.00 0.00 H new ATOM 0 HG SER A 86 60.182 8.158 -16.692 1.00 0.00 H new ATOM 1324 N ASP A 87 57.460 12.347 -15.148 1.00 0.00 N ATOM 1325 CA ASP A 87 57.014 13.590 -15.843 1.00 0.00 C ATOM 1326 C ASP A 87 57.864 14.780 -15.391 1.00 0.00 C ATOM 1327 O ASP A 87 57.774 15.140 -14.229 1.00 0.00 O ATOM 1328 CB ASP A 87 55.557 13.782 -15.419 1.00 0.00 C ATOM 1329 CG ASP A 87 54.659 13.773 -16.658 1.00 0.00 C ATOM 1330 OD1 ASP A 87 55.034 14.389 -17.642 1.00 0.00 O ATOM 1331 OD2 ASP A 87 53.612 13.150 -16.601 1.00 0.00 O ATOM 1332 OXT ASP A 87 58.591 15.310 -16.215 1.00 0.00 O ATOM 0 H ASP A 87 57.663 12.454 -14.154 1.00 0.00 H new ATOM 0 HA ASP A 87 57.117 13.517 -16.926 1.00 0.00 H new ATOM 0 HB2 ASP A 87 55.259 12.988 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 87 55.445 14.724 -14.882 1.00 0.00 H new TER 1337 ASP A 87