USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1400 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: B 3 THR OG1 : rot -120:sc= -0.975 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -1.86! C(o=-2.8!,f=-6.3!) USER MOD Set 2.1: A 3 THR OG1 : rot -120:sc= -0.952 USER MOD Set 2.2: A 7 HIS : no HD1:sc= -1.68! C(o=-2.6!,f=-6.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.868 (180deg=-0.962) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -153:sc= -0.746 (180deg=-1.74) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -93:sc= 0.518 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.127 (180deg=-0.784) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc=-0.00505 (180deg=-0.274) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.0823 (180deg=-0.555) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.6) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.0479 (180deg=-0.796!) USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= -5.52! (180deg=-9.48!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 97:sc= 0.878 USER MOD Single : A 67 CYS SG : rot -41:sc= 0.57 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.0818 (180deg=-0.59) USER MOD Single : A 73 GLN : amide:sc= -1.98! C(o=-2!,f=-1.4!) USER MOD Single : A 74 SER OG : rot -61:sc= 0.0547 USER MOD Single : A 77 CYS SG : rot -19:sc= 0.0706 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.264 USER MOD Single : A 85 CYS SG : rot 83:sc= 0.211 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 171:sc= -0.916 (180deg=-0.997) USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.0687 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -152:sc= -0.763 (180deg=-1.61) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -93:sc= 0.518 USER MOD Single : B 32 LYS NZ :NH3+ 152:sc= -0.181 (180deg=-0.819) USER MOD Single : B 33 LYS NZ :NH3+ -164:sc= -0.0194 (180deg=-0.288) USER MOD Single : B 41 LYS NZ :NH3+ -158:sc= -0.0636 (180deg=-0.575) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.7) USER MOD Single : B 53 LYS NZ :NH3+ -157:sc= -0.0966 (180deg=-0.87!) USER MOD Single : B 54 LYS NZ :NH3+ -143:sc= -5.72! (180deg=-9.71!) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 97:sc= 0.857 USER MOD Single : B 67 CYS SG : rot -51:sc= 0.532 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 72 LYS NZ :NH3+ 160:sc= -0.0764 (180deg=-0.589) USER MOD Single : B 73 GLN : amide:sc= -1.97! C(o=-2!,f=-1.7!) USER MOD Single : B 74 SER OG : rot -62:sc= 0.0779 USER MOD Single : B 77 CYS SG : rot -30:sc=-0.00173 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.255 USER MOD Single : B 85 CYS SG : rot 84:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 121.914 -13.177 12.840 1.00 3.75 N ATOM 2 CA MET A 1 122.719 -12.344 11.905 1.00 3.27 C ATOM 3 C MET A 1 121.866 -11.178 11.397 1.00 2.28 C ATOM 4 O MET A 1 122.372 -10.118 11.086 1.00 2.68 O ATOM 5 CB MET A 1 123.179 -13.204 10.723 1.00 3.76 C ATOM 6 CG MET A 1 121.960 -13.782 9.998 1.00 4.33 C ATOM 7 SD MET A 1 122.514 -14.861 8.655 1.00 5.05 S ATOM 8 CE MET A 1 120.874 -15.312 8.039 1.00 5.68 C ATOM 0 H1 MET A 1 122.450 -14.032 13.093 1.00 3.75 H new ATOM 0 H2 MET A 1 121.707 -12.631 13.701 1.00 3.75 H new ATOM 0 H3 MET A 1 121.022 -13.451 12.381 1.00 3.75 H new ATOM 0 HA MET A 1 123.592 -11.950 12.425 1.00 3.27 H new ATOM 0 HB2 MET A 1 123.773 -12.604 10.034 1.00 3.76 H new ATOM 0 HB3 MET A 1 123.820 -14.011 11.076 1.00 3.76 H new ATOM 0 HG2 MET A 1 121.340 -14.343 10.697 1.00 4.33 H new ATOM 0 HG3 MET A 1 121.344 -12.976 9.601 1.00 4.33 H new ATOM 0 HE1 MET A 1 120.977 -15.988 7.190 1.00 5.68 H new ATOM 0 HE2 MET A 1 120.311 -15.807 8.831 1.00 5.68 H new ATOM 0 HE3 MET A 1 120.344 -14.413 7.724 1.00 5.68 H new ATOM 20 N THR A 2 120.575 -11.367 11.315 1.00 1.63 N ATOM 21 CA THR A 2 119.674 -10.276 10.833 1.00 1.44 C ATOM 22 C THR A 2 119.967 -9.960 9.360 1.00 1.17 C ATOM 23 O THR A 2 119.072 -9.676 8.588 1.00 1.22 O ATOM 24 CB THR A 2 119.892 -9.013 11.685 1.00 2.22 C ATOM 25 OG1 THR A 2 120.139 -9.391 13.032 1.00 2.76 O ATOM 26 CG2 THR A 2 118.648 -8.121 11.626 1.00 3.02 C ATOM 0 H THR A 2 120.102 -12.236 11.563 1.00 1.63 H new ATOM 0 HA THR A 2 118.639 -10.604 10.926 1.00 1.44 H new ATOM 0 HB THR A 2 120.747 -8.460 11.295 1.00 2.22 H new ATOM 0 HG1 THR A 2 120.280 -8.588 13.576 1.00 2.76 H new ATOM 0 HG21 THR A 2 118.811 -7.229 12.232 1.00 3.02 H new ATOM 0 HG22 THR A 2 118.459 -7.829 10.593 1.00 3.02 H new ATOM 0 HG23 THR A 2 117.788 -8.669 12.011 1.00 3.02 H new ATOM 34 N THR A 3 121.210 -9.995 8.966 1.00 0.96 N ATOM 35 CA THR A 3 121.554 -9.684 7.550 1.00 0.75 C ATOM 36 C THR A 3 121.288 -10.906 6.670 1.00 0.69 C ATOM 37 O THR A 3 121.037 -11.992 7.153 1.00 0.74 O ATOM 38 CB THR A 3 123.035 -9.309 7.462 1.00 0.68 C ATOM 39 OG1 THR A 3 123.828 -10.433 7.821 1.00 0.79 O ATOM 40 CG2 THR A 3 123.327 -8.150 8.414 1.00 0.75 C ATOM 0 H THR A 3 122.003 -10.226 9.564 1.00 0.96 H new ATOM 0 HA THR A 3 120.940 -8.852 7.204 1.00 0.75 H new ATOM 0 HB THR A 3 123.274 -9.006 6.443 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.381 -10.208 8.598 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.382 -7.884 8.350 1.00 0.75 H new ATOM 0 HG22 THR A 3 122.718 -7.289 8.137 1.00 0.75 H new ATOM 0 HG23 THR A 3 123.089 -8.449 9.435 1.00 0.75 H new ATOM 48 N SER A 4 121.344 -10.732 5.377 1.00 0.63 N ATOM 49 CA SER A 4 121.098 -11.875 4.453 1.00 0.61 C ATOM 50 C SER A 4 122.328 -12.785 4.434 1.00 0.60 C ATOM 51 O SER A 4 123.368 -12.467 4.975 1.00 0.57 O ATOM 52 CB SER A 4 120.832 -11.341 3.046 1.00 0.63 C ATOM 53 OG SER A 4 119.562 -10.704 3.021 1.00 1.51 O ATOM 0 H SER A 4 121.550 -9.844 4.920 1.00 0.63 H new ATOM 0 HA SER A 4 120.232 -12.443 4.794 1.00 0.61 H new ATOM 0 HB2 SER A 4 121.612 -10.636 2.758 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.857 -12.157 2.323 1.00 0.63 H new ATOM 0 HG SER A 4 119.387 -10.358 2.121 1.00 1.51 H new ATOM 59 N GLN A 5 122.191 -13.933 3.828 1.00 0.63 N ATOM 60 CA GLN A 5 123.310 -14.918 3.773 1.00 0.64 C ATOM 61 C GLN A 5 124.526 -14.312 3.072 1.00 0.60 C ATOM 62 O GLN A 5 125.653 -14.661 3.361 1.00 0.59 O ATOM 63 CB GLN A 5 122.841 -16.156 3.006 1.00 0.71 C ATOM 64 CG GLN A 5 123.932 -17.227 3.033 1.00 1.34 C ATOM 65 CD GLN A 5 123.422 -18.487 2.332 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.286 -18.539 1.902 1.00 2.09 O ATOM 67 NE2 GLN A 5 124.212 -19.517 2.209 1.00 2.18 N ATOM 0 H GLN A 5 121.336 -14.235 3.361 1.00 0.63 H new ATOM 0 HA GLN A 5 123.597 -15.190 4.789 1.00 0.64 H new ATOM 0 HB2 GLN A 5 121.925 -16.545 3.451 1.00 0.71 H new ATOM 0 HB3 GLN A 5 122.606 -15.889 1.976 1.00 0.71 H new ATOM 0 HG2 GLN A 5 124.830 -16.860 2.537 1.00 1.34 H new ATOM 0 HG3 GLN A 5 124.207 -17.456 4.063 1.00 1.34 H new ATOM 0 HE21 GLN A 5 125.165 -19.474 2.569 1.00 2.18 H new ATOM 0 HE22 GLN A 5 123.877 -20.365 1.752 1.00 2.18 H new ATOM 76 N LYS A 6 124.314 -13.413 2.151 1.00 0.59 N ATOM 77 CA LYS A 6 125.467 -12.802 1.432 1.00 0.57 C ATOM 78 C LYS A 6 126.370 -12.097 2.448 1.00 0.51 C ATOM 79 O LYS A 6 127.574 -12.056 2.292 1.00 0.50 O ATOM 80 CB LYS A 6 124.959 -11.783 0.407 1.00 0.58 C ATOM 81 CG LYS A 6 124.197 -12.517 -0.698 1.00 0.65 C ATOM 82 CD LYS A 6 123.682 -11.511 -1.728 1.00 0.81 C ATOM 83 CE LYS A 6 122.919 -12.255 -2.827 1.00 1.26 C ATOM 84 NZ LYS A 6 122.361 -11.273 -3.796 1.00 2.02 N ATOM 0 H LYS A 6 123.395 -13.076 1.866 1.00 0.59 H new ATOM 0 HA LYS A 6 126.028 -13.580 0.913 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.308 -11.055 0.892 1.00 0.58 H new ATOM 0 HB3 LYS A 6 125.796 -11.229 -0.018 1.00 0.58 H new ATOM 0 HG2 LYS A 6 124.850 -13.244 -1.181 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.363 -13.072 -0.270 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.030 -10.782 -1.247 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.515 -10.957 -2.160 1.00 0.81 H new ATOM 0 HE2 LYS A 6 123.584 -12.950 -3.340 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.115 -12.847 -2.389 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 121.843 -11.778 -4.543 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 121.713 -10.627 -3.301 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 123.137 -10.727 -4.222 1.00 2.02 H new ATOM 98 N HIS A 7 125.806 -11.542 3.482 1.00 0.49 N ATOM 99 CA HIS A 7 126.641 -10.839 4.499 1.00 0.45 C ATOM 100 C HIS A 7 127.650 -11.814 5.117 1.00 0.45 C ATOM 101 O HIS A 7 128.824 -11.521 5.220 1.00 0.43 O ATOM 102 CB HIS A 7 125.722 -10.271 5.590 1.00 0.45 C ATOM 103 CG HIS A 7 126.523 -9.838 6.794 1.00 0.42 C ATOM 104 ND1 HIS A 7 126.893 -8.516 7.010 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.019 -10.543 7.864 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.576 -8.471 8.172 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.679 -9.678 8.727 1.00 0.42 N ATOM 0 H HIS A 7 124.803 -11.543 3.669 1.00 0.49 H new ATOM 0 HA HIS A 7 127.192 -10.027 4.023 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.163 -9.423 5.195 1.00 0.45 H new ATOM 0 HB3 HIS A 7 124.992 -11.024 5.885 1.00 0.45 H new ATOM 0 HD2 HIS A 7 126.912 -11.608 8.011 1.00 0.45 H new ATOM 0 HE1 HIS A 7 127.988 -7.569 8.600 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.145 -9.917 9.602 1.00 0.42 H new ATOM 115 N ARG A 8 127.200 -12.971 5.539 1.00 0.48 N ATOM 116 CA ARG A 8 128.119 -13.965 6.158 1.00 0.50 C ATOM 117 C ARG A 8 129.056 -14.536 5.098 1.00 0.51 C ATOM 118 O ARG A 8 130.197 -14.851 5.366 1.00 0.51 O ATOM 119 CB ARG A 8 127.286 -15.112 6.747 1.00 0.55 C ATOM 120 CG ARG A 8 126.376 -14.600 7.877 1.00 0.57 C ATOM 121 CD ARG A 8 127.177 -14.375 9.168 1.00 1.00 C ATOM 122 NE ARG A 8 127.967 -15.600 9.485 1.00 1.69 N ATOM 123 CZ ARG A 8 128.912 -15.557 10.384 1.00 2.27 C ATOM 124 NH1 ARG A 8 129.151 -14.445 11.025 1.00 2.42 N ATOM 125 NH2 ARG A 8 129.617 -16.627 10.644 1.00 3.21 N ATOM 0 H ARG A 8 126.226 -13.268 5.478 1.00 0.48 H new ATOM 0 HA ARG A 8 128.705 -13.478 6.938 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.680 -15.567 5.964 1.00 0.55 H new ATOM 0 HB3 ARG A 8 127.948 -15.889 7.130 1.00 0.55 H new ATOM 0 HG2 ARG A 8 125.901 -13.668 7.572 1.00 0.57 H new ATOM 0 HG3 ARG A 8 125.578 -15.319 8.060 1.00 0.57 H new ATOM 0 HD2 ARG A 8 127.843 -13.520 9.051 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.502 -14.142 9.991 1.00 1.00 H new ATOM 0 HE ARG A 8 127.768 -16.474 8.998 1.00 1.69 H new ATOM 0 HH11 ARG A 8 128.599 -13.611 10.823 1.00 2.42 H new ATOM 0 HH12 ARG A 8 129.889 -14.410 11.728 1.00 2.42 H new ATOM 0 HH21 ARG A 8 129.428 -17.496 10.144 1.00 3.21 H new ATOM 0 HH22 ARG A 8 130.356 -16.593 11.347 1.00 3.21 H new ATOM 139 N ASP A 9 128.579 -14.679 3.899 1.00 0.52 N ATOM 140 CA ASP A 9 129.438 -15.243 2.825 1.00 0.54 C ATOM 141 C ASP A 9 130.556 -14.256 2.491 1.00 0.49 C ATOM 142 O ASP A 9 131.684 -14.637 2.252 1.00 0.49 O ATOM 143 CB ASP A 9 128.601 -15.502 1.575 1.00 0.61 C ATOM 144 CG ASP A 9 127.649 -16.672 1.832 1.00 0.68 C ATOM 145 OD1 ASP A 9 127.904 -17.427 2.755 1.00 0.67 O ATOM 146 OD2 ASP A 9 126.682 -16.795 1.098 1.00 0.76 O ATOM 0 H ASP A 9 127.632 -14.430 3.614 1.00 0.52 H new ATOM 0 HA ASP A 9 129.871 -16.182 3.170 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.034 -14.609 1.312 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.251 -15.727 0.729 1.00 0.61 H new ATOM 151 N PHE A 10 130.246 -12.993 2.461 1.00 0.46 N ATOM 152 CA PHE A 10 131.287 -11.982 2.126 1.00 0.43 C ATOM 153 C PHE A 10 132.412 -12.017 3.170 1.00 0.38 C ATOM 154 O PHE A 10 133.579 -12.033 2.834 1.00 0.36 O ATOM 155 CB PHE A 10 130.641 -10.596 2.102 1.00 0.45 C ATOM 156 CG PHE A 10 131.624 -9.583 1.569 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.689 -9.333 0.193 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.464 -8.889 2.447 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.593 -8.389 -0.305 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.368 -7.944 1.948 1.00 0.43 C ATOM 161 CZ PHE A 10 133.433 -7.694 0.573 1.00 0.43 C ATOM 0 H PHE A 10 129.318 -12.615 2.653 1.00 0.46 H new ATOM 0 HA PHE A 10 131.714 -12.207 1.149 1.00 0.43 H new ATOM 0 HB2 PHE A 10 129.747 -10.612 1.478 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.324 -10.315 3.106 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.041 -9.869 -0.484 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.415 -9.082 3.508 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.643 -8.196 -1.367 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.016 -7.407 2.625 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.131 -6.965 0.189 1.00 0.43 H new ATOM 171 N VAL A 11 132.072 -12.025 4.430 1.00 0.37 N ATOM 172 CA VAL A 11 133.121 -12.053 5.494 1.00 0.35 C ATOM 173 C VAL A 11 133.608 -13.490 5.717 1.00 0.37 C ATOM 174 O VAL A 11 134.331 -13.769 6.654 1.00 0.38 O ATOM 175 CB VAL A 11 132.521 -11.517 6.796 1.00 0.37 C ATOM 176 CG1 VAL A 11 131.947 -10.118 6.557 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.404 -12.457 7.261 1.00 0.40 C ATOM 0 H VAL A 11 131.111 -12.013 4.771 1.00 0.37 H new ATOM 0 HA VAL A 11 133.965 -11.436 5.185 1.00 0.35 H new ATOM 0 HB VAL A 11 133.295 -11.463 7.561 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.520 -9.737 7.484 1.00 0.44 H new ATOM 0 HG12 VAL A 11 132.741 -9.451 6.222 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.170 -10.169 5.794 1.00 0.44 H new ATOM 0 HG21 VAL A 11 130.973 -12.079 8.188 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.630 -12.508 6.496 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.813 -13.453 7.430 1.00 0.40 H new ATOM 187 N ALA A 12 133.222 -14.405 4.863 1.00 0.41 N ATOM 188 CA ALA A 12 133.663 -15.831 5.018 1.00 0.48 C ATOM 189 C ALA A 12 134.780 -16.170 4.025 1.00 0.46 C ATOM 190 O ALA A 12 135.468 -17.162 4.174 1.00 0.49 O ATOM 191 CB ALA A 12 132.480 -16.758 4.747 1.00 0.54 C ATOM 0 H ALA A 12 132.618 -14.227 4.061 1.00 0.41 H new ATOM 0 HA ALA A 12 134.035 -15.965 6.034 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.797 -17.795 4.859 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.681 -16.545 5.456 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.117 -16.597 3.732 1.00 0.54 H new ATOM 197 N GLU A 13 134.968 -15.370 3.012 1.00 0.43 N ATOM 198 CA GLU A 13 136.040 -15.669 2.015 1.00 0.43 C ATOM 199 C GLU A 13 136.448 -14.371 1.309 1.00 0.40 C ATOM 200 O GLU A 13 135.648 -13.464 1.185 1.00 0.37 O ATOM 201 CB GLU A 13 135.491 -16.654 0.983 1.00 0.46 C ATOM 202 CG GLU A 13 134.099 -16.194 0.546 1.00 0.48 C ATOM 203 CD GLU A 13 133.603 -17.074 -0.601 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.319 -17.195 -1.580 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.514 -17.612 -0.481 1.00 1.05 O ATOM 0 H GLU A 13 134.428 -14.524 2.830 1.00 0.43 H new ATOM 0 HA GLU A 13 136.907 -16.100 2.516 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.157 -16.707 0.122 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.440 -17.656 1.409 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.407 -16.250 1.386 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.133 -15.152 0.229 1.00 0.48 H new ATOM 212 N PRO A 14 137.668 -14.272 0.826 1.00 0.42 N ATOM 213 CA PRO A 14 138.128 -13.053 0.108 1.00 0.40 C ATOM 214 C PRO A 14 137.027 -12.514 -0.812 1.00 0.36 C ATOM 215 O PRO A 14 136.124 -13.235 -1.187 1.00 0.36 O ATOM 216 CB PRO A 14 139.330 -13.552 -0.698 1.00 0.45 C ATOM 217 CG PRO A 14 139.909 -14.664 0.125 1.00 0.49 C ATOM 218 CD PRO A 14 138.736 -15.291 0.903 1.00 0.48 C ATOM 0 HA PRO A 14 138.379 -12.229 0.776 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.026 -13.906 -1.683 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.058 -12.756 -0.856 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.393 -15.405 -0.511 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.669 -14.285 0.808 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.420 -16.234 0.457 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.011 -15.503 1.936 1.00 0.48 H new ATOM 226 N MET A 15 137.077 -11.259 -1.175 1.00 0.35 N ATOM 227 CA MET A 15 136.008 -10.708 -2.062 1.00 0.35 C ATOM 228 C MET A 15 136.417 -10.876 -3.525 1.00 0.36 C ATOM 229 O MET A 15 135.589 -10.933 -4.411 1.00 0.39 O ATOM 230 CB MET A 15 135.797 -9.222 -1.759 1.00 0.37 C ATOM 231 CG MET A 15 137.137 -8.485 -1.772 1.00 0.41 C ATOM 232 SD MET A 15 136.828 -6.710 -1.974 1.00 0.57 S ATOM 233 CE MET A 15 136.973 -6.233 -0.235 1.00 0.43 C ATOM 0 H MET A 15 137.803 -10.597 -0.900 1.00 0.35 H new ATOM 0 HA MET A 15 135.079 -11.249 -1.880 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.126 -8.784 -2.498 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.319 -9.106 -0.786 1.00 0.37 H new ATOM 0 HG2 MET A 15 137.678 -8.670 -0.844 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.762 -8.854 -2.585 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.377 -5.339 -0.052 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.612 -7.045 0.396 1.00 0.43 H new ATOM 0 HE3 MET A 15 138.017 -6.028 0.000 1.00 0.43 H new ATOM 243 N GLY A 16 137.692 -10.960 -3.781 1.00 0.37 N ATOM 244 CA GLY A 16 138.163 -11.130 -5.183 1.00 0.40 C ATOM 245 C GLY A 16 137.600 -10.007 -6.056 1.00 0.40 C ATOM 246 O GLY A 16 137.623 -8.850 -5.686 1.00 0.38 O ATOM 0 H GLY A 16 138.430 -10.918 -3.078 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.252 -11.117 -5.215 1.00 0.40 H new ATOM 0 HA3 GLY A 16 137.844 -12.098 -5.569 1.00 0.40 H new ATOM 250 N GLU A 17 137.135 -10.339 -7.233 1.00 0.41 N ATOM 251 CA GLU A 17 136.610 -9.299 -8.173 1.00 0.42 C ATOM 252 C GLU A 17 135.077 -9.318 -8.222 1.00 0.40 C ATOM 253 O GLU A 17 134.482 -8.960 -9.219 1.00 0.40 O ATOM 254 CB GLU A 17 137.176 -9.584 -9.565 1.00 0.47 C ATOM 255 CG GLU A 17 138.689 -9.350 -9.543 1.00 0.52 C ATOM 256 CD GLU A 17 139.278 -9.653 -10.921 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.542 -10.136 -11.765 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.457 -9.400 -11.107 1.00 0.85 O ATOM 0 H GLU A 17 137.096 -11.295 -7.588 1.00 0.41 H new ATOM 0 HA GLU A 17 136.918 -8.313 -7.826 1.00 0.42 H new ATOM 0 HB2 GLU A 17 136.958 -10.611 -9.858 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.705 -8.935 -10.303 1.00 0.47 H new ATOM 0 HG2 GLU A 17 138.903 -8.318 -9.264 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.154 -9.986 -8.790 1.00 0.52 H new ATOM 265 N LYS A 18 134.425 -9.712 -7.162 1.00 0.38 N ATOM 266 CA LYS A 18 132.932 -9.721 -7.181 1.00 0.36 C ATOM 267 C LYS A 18 132.456 -8.278 -7.421 1.00 0.32 C ATOM 268 O LYS A 18 133.122 -7.340 -7.030 1.00 0.31 O ATOM 269 CB LYS A 18 132.405 -10.223 -5.830 1.00 0.36 C ATOM 270 CG LYS A 18 132.839 -11.675 -5.608 1.00 0.45 C ATOM 271 CD LYS A 18 132.564 -12.072 -4.155 1.00 1.17 C ATOM 272 CE LYS A 18 132.928 -13.543 -3.945 1.00 1.44 C ATOM 273 NZ LYS A 18 132.805 -13.885 -2.499 1.00 2.01 N ATOM 0 H LYS A 18 134.855 -10.025 -6.292 1.00 0.38 H new ATOM 0 HA LYS A 18 132.562 -10.379 -7.967 1.00 0.36 H new ATOM 0 HB2 LYS A 18 132.785 -9.594 -5.025 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.318 -10.151 -5.805 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.298 -12.335 -6.286 1.00 0.45 H new ATOM 0 HG3 LYS A 18 133.900 -11.787 -5.833 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.145 -11.444 -3.480 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.513 -11.910 -3.916 1.00 1.17 H new ATOM 0 HE2 LYS A 18 132.270 -14.179 -4.537 1.00 1.44 H new ATOM 0 HE3 LYS A 18 133.946 -13.729 -4.288 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 133.052 -14.885 -2.357 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 133.450 -13.286 -1.945 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 131.827 -13.723 -2.186 1.00 2.01 H new ATOM 287 N PRO A 19 131.335 -8.085 -8.079 1.00 0.31 N ATOM 288 CA PRO A 19 130.816 -6.714 -8.384 1.00 0.29 C ATOM 289 C PRO A 19 130.406 -5.940 -7.125 1.00 0.25 C ATOM 290 O PRO A 19 130.232 -6.501 -6.061 1.00 0.24 O ATOM 291 CB PRO A 19 129.606 -6.975 -9.298 1.00 0.32 C ATOM 292 CG PRO A 19 129.163 -8.360 -8.956 1.00 0.33 C ATOM 293 CD PRO A 19 130.436 -9.130 -8.602 1.00 0.34 C ATOM 0 HA PRO A 19 131.578 -6.088 -8.848 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.812 -6.250 -9.120 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.880 -6.896 -10.350 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.466 -8.352 -8.118 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.646 -8.824 -9.796 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.244 -9.903 -7.858 1.00 0.34 H new ATOM 0 HD3 PRO A 19 130.861 -9.626 -9.475 1.00 0.34 H new ATOM 301 N VAL A 20 130.264 -4.648 -7.248 1.00 0.25 N ATOM 302 CA VAL A 20 129.879 -3.814 -6.077 1.00 0.23 C ATOM 303 C VAL A 20 128.543 -4.291 -5.498 1.00 0.21 C ATOM 304 O VAL A 20 128.389 -4.448 -4.303 1.00 0.23 O ATOM 305 CB VAL A 20 129.765 -2.351 -6.518 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.708 -2.220 -7.621 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.366 -1.487 -5.319 1.00 0.29 C ATOM 0 H VAL A 20 130.400 -4.132 -8.117 1.00 0.25 H new ATOM 0 HA VAL A 20 130.642 -3.906 -5.304 1.00 0.23 H new ATOM 0 HB VAL A 20 130.727 -2.016 -6.905 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.632 -1.177 -7.930 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.996 -2.832 -8.476 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.743 -2.558 -7.242 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.285 -0.446 -5.632 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.405 -1.825 -4.930 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.123 -1.574 -4.540 1.00 0.29 H new ATOM 317 N GLY A 21 127.567 -4.502 -6.345 1.00 0.23 N ATOM 318 CA GLY A 21 126.225 -4.948 -5.866 1.00 0.21 C ATOM 319 C GLY A 21 126.349 -6.194 -4.986 1.00 0.20 C ATOM 320 O GLY A 21 125.372 -6.680 -4.450 1.00 0.19 O ATOM 0 H GLY A 21 127.644 -4.383 -7.355 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.750 -4.145 -5.303 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.582 -5.163 -6.720 1.00 0.21 H new ATOM 324 N SER A 22 127.532 -6.724 -4.827 1.00 0.20 N ATOM 325 CA SER A 22 127.692 -7.941 -3.978 1.00 0.20 C ATOM 326 C SER A 22 127.774 -7.530 -2.510 1.00 0.19 C ATOM 327 O SER A 22 127.465 -8.299 -1.621 1.00 0.20 O ATOM 328 CB SER A 22 128.986 -8.652 -4.361 1.00 0.23 C ATOM 329 OG SER A 22 130.077 -8.037 -3.686 1.00 1.24 O ATOM 0 H SER A 22 128.392 -6.369 -5.246 1.00 0.20 H new ATOM 0 HA SER A 22 126.840 -8.604 -4.130 1.00 0.20 H new ATOM 0 HB2 SER A 22 128.927 -9.707 -4.095 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.136 -8.603 -5.439 1.00 0.23 H new ATOM 0 HG SER A 22 130.466 -7.343 -4.258 1.00 1.24 H new ATOM 335 N LEU A 23 128.198 -6.329 -2.252 1.00 0.17 N ATOM 336 CA LEU A 23 128.315 -5.871 -0.838 1.00 0.18 C ATOM 337 C LEU A 23 126.944 -5.917 -0.165 1.00 0.18 C ATOM 338 O LEU A 23 125.940 -5.543 -0.736 1.00 0.17 O ATOM 339 CB LEU A 23 128.849 -4.437 -0.801 1.00 0.18 C ATOM 340 CG LEU A 23 130.308 -4.408 -1.276 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.747 -2.954 -1.457 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.225 -5.104 -0.249 1.00 0.24 C ATOM 0 H LEU A 23 128.469 -5.642 -2.956 1.00 0.17 H new ATOM 0 HA LEU A 23 129.003 -6.529 -0.307 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.238 -3.796 -1.437 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.780 -4.040 0.212 1.00 0.18 H new ATOM 0 HG LEU A 23 130.385 -4.940 -2.224 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.783 -2.926 -1.794 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.111 -2.471 -2.199 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.661 -2.427 -0.507 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.256 -5.074 -0.602 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.155 -4.589 0.709 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.913 -6.141 -0.127 1.00 0.24 H new ATOM 354 N ALA A 24 126.906 -6.378 1.049 1.00 0.18 N ATOM 355 CA ALA A 24 125.609 -6.456 1.775 1.00 0.19 C ATOM 356 C ALA A 24 125.055 -5.047 2.006 1.00 0.20 C ATOM 357 O ALA A 24 125.763 -4.138 2.393 1.00 0.20 O ATOM 358 CB ALA A 24 125.820 -7.147 3.120 1.00 0.21 C ATOM 0 H ALA A 24 127.717 -6.705 1.573 1.00 0.18 H new ATOM 0 HA ALA A 24 124.898 -7.027 1.178 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.871 -7.205 3.652 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.205 -8.153 2.956 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.535 -6.577 3.714 1.00 0.21 H new ATOM 364 N GLY A 25 123.785 -4.871 1.763 1.00 0.20 N ATOM 365 CA GLY A 25 123.152 -3.529 1.954 1.00 0.21 C ATOM 366 C GLY A 25 123.091 -2.804 0.608 1.00 0.21 C ATOM 367 O GLY A 25 122.311 -1.894 0.417 1.00 0.22 O ATOM 0 H GLY A 25 123.152 -5.602 1.438 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.149 -3.642 2.365 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.726 -2.942 2.671 1.00 0.21 H new ATOM 371 N ILE A 26 123.902 -3.212 -0.335 1.00 0.20 N ATOM 372 CA ILE A 26 123.886 -2.564 -1.681 1.00 0.21 C ATOM 373 C ILE A 26 123.069 -3.454 -2.613 1.00 0.23 C ATOM 374 O ILE A 26 123.467 -4.559 -2.923 1.00 0.25 O ATOM 375 CB ILE A 26 125.318 -2.445 -2.209 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.201 -1.741 -1.166 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.321 -1.647 -3.515 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.592 -0.390 -0.766 1.00 0.24 C ATOM 0 H ILE A 26 124.577 -3.969 -0.230 1.00 0.20 H new ATOM 0 HA ILE A 26 123.450 -1.567 -1.623 1.00 0.21 H new ATOM 0 HB ILE A 26 125.715 -3.442 -2.397 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.307 -2.374 -0.285 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.201 -1.589 -1.571 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.342 -1.564 -3.888 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.704 -2.158 -4.255 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.919 -0.650 -3.333 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.231 0.093 -0.027 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.510 0.247 -1.647 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.601 -0.549 -0.340 1.00 0.24 H new ATOM 390 N GLY A 27 121.929 -3.006 -3.064 1.00 0.24 N ATOM 391 CA GLY A 27 121.105 -3.859 -3.969 1.00 0.28 C ATOM 392 C GLY A 27 121.485 -3.596 -5.427 1.00 0.28 C ATOM 393 O GLY A 27 122.324 -2.768 -5.723 1.00 0.27 O ATOM 0 H GLY A 27 121.534 -2.091 -2.847 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.258 -4.911 -3.729 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.047 -3.648 -3.817 1.00 0.28 H new ATOM 397 N GLU A 28 120.878 -4.304 -6.337 1.00 0.30 N ATOM 398 CA GLU A 28 121.217 -4.101 -7.773 1.00 0.32 C ATOM 399 C GLU A 28 121.005 -2.633 -8.149 1.00 0.32 C ATOM 400 O GLU A 28 121.779 -2.057 -8.884 1.00 0.34 O ATOM 401 CB GLU A 28 120.330 -4.987 -8.653 1.00 0.36 C ATOM 402 CG GLU A 28 120.726 -6.452 -8.470 1.00 0.39 C ATOM 403 CD GLU A 28 119.782 -7.340 -9.284 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.974 -6.793 -10.016 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.881 -8.548 -9.159 1.00 1.65 O ATOM 0 H GLU A 28 120.166 -5.010 -6.151 1.00 0.30 H new ATOM 0 HA GLU A 28 122.261 -4.371 -7.932 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.282 -4.847 -8.388 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.435 -4.699 -9.699 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.756 -6.605 -8.793 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.679 -6.724 -7.415 1.00 0.39 H new ATOM 412 N VAL A 29 119.963 -2.023 -7.658 1.00 0.31 N ATOM 413 CA VAL A 29 119.712 -0.595 -8.004 1.00 0.33 C ATOM 414 C VAL A 29 120.824 0.275 -7.418 1.00 0.33 C ATOM 415 O VAL A 29 121.348 1.156 -8.071 1.00 0.35 O ATOM 416 CB VAL A 29 118.360 -0.163 -7.429 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.171 1.344 -7.630 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.239 -0.925 -8.141 1.00 0.35 C ATOM 0 H VAL A 29 119.277 -2.448 -7.035 1.00 0.31 H new ATOM 0 HA VAL A 29 119.698 -0.478 -9.088 1.00 0.33 H new ATOM 0 HB VAL A 29 118.330 -0.387 -6.363 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.208 1.648 -7.220 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.969 1.882 -7.119 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.201 1.576 -8.695 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.275 -0.619 -7.733 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.269 -0.703 -9.208 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.374 -1.996 -7.989 1.00 0.35 H new ATOM 428 N LEU A 30 121.184 0.040 -6.188 1.00 0.32 N ATOM 429 CA LEU A 30 122.255 0.856 -5.553 1.00 0.32 C ATOM 430 C LEU A 30 123.586 0.583 -6.253 1.00 0.32 C ATOM 431 O LEU A 30 124.401 1.468 -6.425 1.00 0.33 O ATOM 432 CB LEU A 30 122.372 0.494 -4.068 1.00 0.32 C ATOM 433 CG LEU A 30 121.076 0.857 -3.328 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.181 0.387 -1.872 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.850 2.382 -3.362 1.00 0.40 C ATOM 0 H LEU A 30 120.781 -0.684 -5.593 1.00 0.32 H new ATOM 0 HA LEU A 30 122.005 1.913 -5.645 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.574 -0.572 -3.961 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.214 1.024 -3.623 1.00 0.32 H new ATOM 0 HG LEU A 30 120.235 0.367 -3.818 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.264 0.642 -1.340 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.327 -0.693 -1.848 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.027 0.878 -1.391 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.928 2.625 -2.834 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.688 2.885 -2.879 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.774 2.716 -4.397 1.00 0.40 H new ATOM 447 N GLY A 31 123.816 -0.636 -6.649 1.00 0.33 N ATOM 448 CA GLY A 31 125.098 -0.964 -7.329 1.00 0.34 C ATOM 449 C GLY A 31 125.236 -0.132 -8.604 1.00 0.35 C ATOM 450 O GLY A 31 126.301 0.364 -8.918 1.00 0.35 O ATOM 0 H GLY A 31 123.173 -1.419 -6.531 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.936 -0.764 -6.661 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.130 -2.026 -7.572 1.00 0.34 H new ATOM 454 N LYS A 32 124.170 0.032 -9.343 1.00 0.35 N ATOM 455 CA LYS A 32 124.256 0.836 -10.598 1.00 0.37 C ATOM 456 C LYS A 32 124.570 2.294 -10.257 1.00 0.36 C ATOM 457 O LYS A 32 125.291 2.957 -10.975 1.00 0.38 O ATOM 458 CB LYS A 32 122.931 0.763 -11.365 1.00 0.39 C ATOM 459 CG LYS A 32 122.625 -0.690 -11.761 1.00 1.18 C ATOM 460 CD LYS A 32 123.599 -1.173 -12.849 1.00 1.37 C ATOM 461 CE LYS A 32 123.020 -2.403 -13.552 1.00 2.06 C ATOM 462 NZ LYS A 32 121.808 -2.008 -14.326 1.00 2.74 N ATOM 0 H LYS A 32 123.249 -0.353 -9.134 1.00 0.35 H new ATOM 0 HA LYS A 32 125.051 0.429 -11.223 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.123 1.157 -10.748 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.984 1.387 -12.257 1.00 0.39 H new ATOM 0 HG2 LYS A 32 122.701 -1.335 -10.885 1.00 1.18 H new ATOM 0 HG3 LYS A 32 121.600 -0.765 -12.124 1.00 1.18 H new ATOM 0 HD2 LYS A 32 123.774 -0.377 -13.573 1.00 1.37 H new ATOM 0 HD3 LYS A 32 124.564 -1.417 -12.404 1.00 1.37 H new ATOM 0 HE2 LYS A 32 123.764 -2.838 -14.219 1.00 2.06 H new ATOM 0 HE3 LYS A 32 122.763 -3.167 -12.818 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 121.690 -2.648 -15.137 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.970 -2.067 -13.713 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 121.918 -1.032 -14.669 1.00 2.74 H new ATOM 476 N LYS A 33 124.032 2.814 -9.184 1.00 0.35 N ATOM 477 CA LYS A 33 124.313 4.238 -8.841 1.00 0.36 C ATOM 478 C LYS A 33 125.796 4.391 -8.478 1.00 0.34 C ATOM 479 O LYS A 33 126.478 5.260 -8.983 1.00 0.36 O ATOM 480 CB LYS A 33 123.453 4.659 -7.648 1.00 0.36 C ATOM 481 CG LYS A 33 121.980 4.710 -8.068 1.00 0.39 C ATOM 482 CD LYS A 33 121.122 5.131 -6.873 1.00 0.64 C ATOM 483 CE LYS A 33 119.648 5.180 -7.288 1.00 0.65 C ATOM 484 NZ LYS A 33 119.431 6.295 -8.252 1.00 1.54 N ATOM 0 H LYS A 33 123.417 2.320 -8.537 1.00 0.35 H new ATOM 0 HA LYS A 33 124.078 4.870 -9.698 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.583 3.954 -6.827 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.772 5.636 -7.284 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.849 5.415 -8.889 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.661 3.733 -8.432 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.255 4.427 -6.051 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.441 6.108 -6.511 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.357 4.233 -7.742 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.018 5.319 -6.409 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.414 6.500 -8.322 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.933 7.143 -7.920 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.794 6.021 -9.187 1.00 1.54 H new ATOM 498 N LEU A 34 126.307 3.541 -7.627 1.00 0.32 N ATOM 499 CA LEU A 34 127.752 3.630 -7.261 1.00 0.31 C ATOM 500 C LEU A 34 128.589 3.403 -8.528 1.00 0.31 C ATOM 501 O LEU A 34 129.606 4.033 -8.742 1.00 0.33 O ATOM 502 CB LEU A 34 128.087 2.571 -6.203 1.00 0.29 C ATOM 503 CG LEU A 34 127.313 2.854 -4.906 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.495 1.675 -3.946 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.838 4.141 -4.238 1.00 0.34 C ATOM 0 H LEU A 34 125.788 2.791 -7.170 1.00 0.32 H new ATOM 0 HA LEU A 34 127.975 4.612 -6.845 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.833 1.579 -6.577 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.159 2.572 -6.003 1.00 0.29 H new ATOM 0 HG LEU A 34 126.257 2.985 -5.143 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.948 1.869 -3.023 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.113 0.766 -4.410 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.554 1.549 -3.721 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.280 4.328 -3.321 1.00 0.34 H new ATOM 0 HD22 LEU A 34 128.896 4.023 -4.002 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.710 4.983 -4.919 1.00 0.34 H new ATOM 517 N GLU A 35 128.154 2.500 -9.359 1.00 0.32 N ATOM 518 CA GLU A 35 128.914 2.215 -10.616 1.00 0.34 C ATOM 519 C GLU A 35 128.994 3.489 -11.458 1.00 0.37 C ATOM 520 O GLU A 35 130.023 3.816 -12.014 1.00 0.39 O ATOM 521 CB GLU A 35 128.196 1.116 -11.408 1.00 0.35 C ATOM 522 CG GLU A 35 128.964 0.811 -12.700 1.00 0.93 C ATOM 523 CD GLU A 35 128.261 -0.321 -13.452 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.349 -0.903 -12.889 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.650 -0.588 -14.578 1.00 1.36 O ATOM 0 H GLU A 35 127.308 1.946 -9.227 1.00 0.32 H new ATOM 0 HA GLU A 35 129.921 1.881 -10.368 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.115 0.214 -10.802 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.180 1.432 -11.645 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.014 1.702 -13.326 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.990 0.526 -12.468 1.00 0.93 H new ATOM 532 N GLU A 36 127.919 4.215 -11.546 1.00 0.39 N ATOM 533 CA GLU A 36 127.927 5.476 -12.338 1.00 0.43 C ATOM 534 C GLU A 36 128.840 6.484 -11.638 1.00 0.45 C ATOM 535 O GLU A 36 129.289 7.453 -12.220 1.00 0.49 O ATOM 536 CB GLU A 36 126.502 6.024 -12.423 1.00 0.45 C ATOM 537 CG GLU A 36 126.485 7.322 -13.234 1.00 1.12 C ATOM 538 CD GLU A 36 125.051 7.841 -13.332 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.149 7.110 -12.956 1.00 2.00 O ATOM 540 OE2 GLU A 36 124.878 8.961 -13.784 1.00 1.86 O ATOM 0 H GLU A 36 127.029 3.990 -11.102 1.00 0.39 H new ATOM 0 HA GLU A 36 128.295 5.292 -13.347 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.848 5.287 -12.888 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.114 6.207 -11.421 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.122 8.069 -12.759 1.00 1.12 H new ATOM 0 HG3 GLU A 36 126.889 7.146 -14.231 1.00 1.12 H new ATOM 547 N ARG A 37 129.102 6.263 -10.381 1.00 0.42 N ATOM 548 CA ARG A 37 129.967 7.206 -9.616 1.00 0.45 C ATOM 549 C ARG A 37 131.434 6.770 -9.728 1.00 0.42 C ATOM 550 O ARG A 37 132.314 7.395 -9.172 1.00 0.43 O ATOM 551 CB ARG A 37 129.526 7.215 -8.146 1.00 0.45 C ATOM 552 CG ARG A 37 128.151 7.891 -8.010 1.00 0.53 C ATOM 553 CD ARG A 37 128.295 9.419 -8.026 1.00 0.86 C ATOM 554 NE ARG A 37 126.983 10.041 -7.688 1.00 1.42 N ATOM 555 CZ ARG A 37 126.928 11.299 -7.348 1.00 1.88 C ATOM 556 NH1 ARG A 37 128.024 12.004 -7.285 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.779 11.852 -7.064 1.00 2.69 N ATOM 0 H ARG A 37 128.753 5.467 -9.847 1.00 0.42 H new ATOM 0 HA ARG A 37 129.869 8.211 -10.026 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.477 6.194 -7.767 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.262 7.745 -7.541 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.501 7.573 -8.826 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.675 7.575 -7.082 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.054 9.732 -7.309 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.627 9.754 -9.009 1.00 0.86 H new ATOM 0 HE ARG A 37 126.130 9.484 -7.723 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.922 11.571 -7.501 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.983 12.988 -7.019 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.923 11.300 -7.108 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.738 12.836 -6.798 1.00 2.69 H new ATOM 571 N GLY A 38 131.707 5.730 -10.483 1.00 0.40 N ATOM 572 CA GLY A 38 133.130 5.286 -10.675 1.00 0.39 C ATOM 573 C GLY A 38 133.469 4.067 -9.810 1.00 0.37 C ATOM 574 O GLY A 38 134.605 3.634 -9.778 1.00 0.48 O ATOM 0 H GLY A 38 131.010 5.170 -10.974 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.297 5.044 -11.725 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.803 6.106 -10.426 1.00 0.39 H new ATOM 578 N PHE A 39 132.514 3.499 -9.120 1.00 0.31 N ATOM 579 CA PHE A 39 132.804 2.296 -8.271 1.00 0.28 C ATOM 580 C PHE A 39 132.219 1.055 -8.951 1.00 0.28 C ATOM 581 O PHE A 39 131.168 0.569 -8.584 1.00 0.28 O ATOM 582 CB PHE A 39 132.136 2.480 -6.913 1.00 0.27 C ATOM 583 CG PHE A 39 132.736 3.669 -6.206 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.184 4.939 -6.394 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.838 3.504 -5.363 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.736 6.047 -5.742 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.392 4.611 -4.708 1.00 0.30 C ATOM 588 CZ PHE A 39 133.840 5.883 -4.899 1.00 0.32 C ATOM 0 H PHE A 39 131.544 3.814 -9.105 1.00 0.31 H new ATOM 0 HA PHE A 39 133.880 2.177 -8.145 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.063 2.625 -7.042 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.266 1.582 -6.309 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.330 5.065 -7.043 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.263 2.522 -5.216 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.310 7.028 -5.890 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.244 4.483 -4.056 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.267 6.738 -4.395 1.00 0.32 H new ATOM 598 N ASP A 40 132.877 0.563 -9.964 1.00 0.30 N ATOM 599 CA ASP A 40 132.336 -0.621 -10.695 1.00 0.31 C ATOM 600 C ASP A 40 132.628 -1.916 -9.931 1.00 0.29 C ATOM 601 O ASP A 40 132.154 -2.971 -10.303 1.00 0.30 O ATOM 602 CB ASP A 40 132.982 -0.702 -12.082 1.00 0.35 C ATOM 603 CG ASP A 40 134.477 -0.990 -11.932 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.002 -0.740 -10.859 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.069 -1.460 -12.889 1.00 0.41 O ATOM 0 H ASP A 40 133.762 0.926 -10.317 1.00 0.30 H new ATOM 0 HA ASP A 40 131.256 -0.504 -10.787 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.507 -1.487 -12.671 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.833 0.235 -12.620 1.00 0.35 H new ATOM 610 N LYS A 41 133.405 -1.858 -8.876 1.00 0.28 N ATOM 611 CA LYS A 41 133.724 -3.105 -8.104 1.00 0.28 C ATOM 612 C LYS A 41 133.670 -2.829 -6.596 1.00 0.23 C ATOM 613 O LYS A 41 133.745 -1.701 -6.150 1.00 0.23 O ATOM 614 CB LYS A 41 135.103 -3.616 -8.531 1.00 0.34 C ATOM 615 CG LYS A 41 134.994 -4.155 -9.965 1.00 0.48 C ATOM 616 CD LYS A 41 136.347 -4.678 -10.442 1.00 0.74 C ATOM 617 CE LYS A 41 136.196 -5.258 -11.851 1.00 0.71 C ATOM 618 NZ LYS A 41 135.308 -6.456 -11.798 1.00 1.56 N ATOM 0 H LYS A 41 133.832 -1.005 -8.515 1.00 0.28 H new ATOM 0 HA LYS A 41 132.982 -3.874 -8.320 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.838 -2.812 -8.482 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.443 -4.401 -7.855 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.254 -4.954 -10.005 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.647 -3.366 -10.632 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.081 -3.872 -10.445 1.00 0.74 H new ATOM 0 HD3 LYS A 41 136.716 -5.443 -9.759 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.776 -4.509 -12.522 1.00 0.71 H new ATOM 0 HE3 LYS A 41 137.172 -5.532 -12.251 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 135.488 -7.059 -12.626 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 135.502 -6.994 -10.929 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 134.314 -6.151 -11.802 1.00 1.56 H new ATOM 632 N ALA A 42 133.496 -3.867 -5.818 1.00 0.21 N ATOM 633 CA ALA A 42 133.383 -3.711 -4.334 1.00 0.20 C ATOM 634 C ALA A 42 134.690 -3.218 -3.699 1.00 0.18 C ATOM 635 O ALA A 42 134.669 -2.423 -2.781 1.00 0.18 O ATOM 636 CB ALA A 42 133.010 -5.060 -3.716 1.00 0.21 C ATOM 0 H ALA A 42 133.426 -4.828 -6.151 1.00 0.21 H new ATOM 0 HA ALA A 42 132.614 -2.963 -4.138 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.926 -4.954 -2.634 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.056 -5.395 -4.123 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.782 -5.793 -3.950 1.00 0.21 H new ATOM 642 N TYR A 43 135.822 -3.703 -4.129 1.00 0.19 N ATOM 643 CA TYR A 43 137.093 -3.268 -3.477 1.00 0.18 C ATOM 644 C TYR A 43 137.288 -1.756 -3.630 1.00 0.17 C ATOM 645 O TYR A 43 138.039 -1.147 -2.895 1.00 0.17 O ATOM 646 CB TYR A 43 138.290 -4.038 -4.052 1.00 0.20 C ATOM 647 CG TYR A 43 138.692 -3.506 -5.405 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.434 -2.324 -5.493 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.357 -4.210 -6.568 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.839 -1.843 -6.738 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.760 -3.726 -7.816 1.00 0.28 C ATOM 652 CZ TYR A 43 139.503 -2.543 -7.900 1.00 0.28 C ATOM 653 OH TYR A 43 139.906 -2.071 -9.132 1.00 0.32 O ATOM 0 H TYR A 43 135.924 -4.372 -4.892 1.00 0.19 H new ATOM 0 HA TYR A 43 137.028 -3.494 -2.413 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.134 -3.965 -3.366 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.038 -5.095 -4.136 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.694 -1.783 -4.595 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.788 -5.126 -6.501 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.412 -0.930 -6.804 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.498 -4.265 -8.715 1.00 0.28 H new ATOM 0 HH TYR A 43 139.590 -2.677 -9.834 1.00 0.32 H new ATOM 663 N VAL A 44 136.607 -1.137 -4.553 1.00 0.18 N ATOM 664 CA VAL A 44 136.753 0.341 -4.709 1.00 0.18 C ATOM 665 C VAL A 44 135.886 1.017 -3.634 1.00 0.17 C ATOM 666 O VAL A 44 136.193 2.080 -3.121 1.00 0.18 O ATOM 667 CB VAL A 44 136.284 0.768 -6.108 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.657 2.239 -6.356 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.954 -0.113 -7.172 1.00 0.24 C ATOM 0 H VAL A 44 135.960 -1.584 -5.203 1.00 0.18 H new ATOM 0 HA VAL A 44 137.796 0.635 -4.593 1.00 0.18 H new ATOM 0 HB VAL A 44 135.202 0.653 -6.170 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.322 2.537 -7.350 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.175 2.868 -5.607 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.738 2.357 -6.287 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.618 0.194 -8.163 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.036 -0.004 -7.106 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.684 -1.156 -7.004 1.00 0.24 H new ATOM 679 N VAL A 45 134.808 0.365 -3.283 1.00 0.17 N ATOM 680 CA VAL A 45 133.896 0.910 -2.235 1.00 0.17 C ATOM 681 C VAL A 45 134.528 0.652 -0.866 1.00 0.16 C ATOM 682 O VAL A 45 134.463 1.478 0.022 1.00 0.16 O ATOM 683 CB VAL A 45 132.531 0.221 -2.308 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.678 0.644 -1.106 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.822 0.625 -3.602 1.00 0.20 C ATOM 0 H VAL A 45 134.519 -0.529 -3.681 1.00 0.17 H new ATOM 0 HA VAL A 45 133.752 1.979 -2.392 1.00 0.17 H new ATOM 0 HB VAL A 45 132.671 -0.860 -2.292 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.706 0.153 -1.159 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.181 0.355 -0.183 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.540 1.725 -1.121 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.850 0.134 -3.653 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.684 1.706 -3.619 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.426 0.323 -4.457 1.00 0.20 H new ATOM 695 N LEU A 46 135.165 -0.476 -0.700 1.00 0.17 N ATOM 696 CA LEU A 46 135.829 -0.764 0.600 1.00 0.18 C ATOM 697 C LEU A 46 136.870 0.326 0.839 1.00 0.17 C ATOM 698 O LEU A 46 137.099 0.757 1.951 1.00 0.18 O ATOM 699 CB LEU A 46 136.503 -2.147 0.544 1.00 0.22 C ATOM 700 CG LEU A 46 137.388 -2.366 1.782 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.568 -2.180 3.063 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.961 -3.784 1.752 1.00 0.35 C ATOM 0 H LEU A 46 135.253 -1.207 -1.406 1.00 0.17 H new ATOM 0 HA LEU A 46 135.103 -0.774 1.413 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.743 -2.926 0.491 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.106 -2.228 -0.360 1.00 0.22 H new ATOM 0 HG LEU A 46 138.198 -1.637 1.770 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.208 -2.338 3.931 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.162 -1.169 3.091 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.750 -2.900 3.079 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.589 -3.941 2.629 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.145 -4.506 1.756 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.558 -3.916 0.850 1.00 0.35 H new ATOM 714 N GLY A 47 137.499 0.777 -0.214 1.00 0.17 N ATOM 715 CA GLY A 47 138.524 1.845 -0.078 1.00 0.18 C ATOM 716 C GLY A 47 137.883 3.097 0.525 1.00 0.18 C ATOM 717 O GLY A 47 138.463 3.761 1.360 1.00 0.18 O ATOM 0 H GLY A 47 137.344 0.447 -1.167 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.341 1.501 0.556 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.953 2.077 -1.053 1.00 0.18 H new ATOM 721 N GLN A 48 136.684 3.426 0.118 1.00 0.17 N ATOM 722 CA GLN A 48 136.016 4.636 0.686 1.00 0.18 C ATOM 723 C GLN A 48 135.866 4.461 2.203 1.00 0.17 C ATOM 724 O GLN A 48 136.123 5.366 2.972 1.00 0.18 O ATOM 725 CB GLN A 48 134.637 4.795 0.035 1.00 0.19 C ATOM 726 CG GLN A 48 133.959 6.078 0.531 1.00 0.22 C ATOM 727 CD GLN A 48 134.726 7.300 0.018 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.085 7.364 -1.141 1.00 0.98 O ATOM 729 NE2 GLN A 48 134.987 8.284 0.837 1.00 1.09 N ATOM 0 H GLN A 48 136.142 2.914 -0.578 1.00 0.17 H new ATOM 0 HA GLN A 48 136.613 5.526 0.486 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.741 4.826 -1.050 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.014 3.932 0.271 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.927 6.113 0.183 1.00 0.22 H new ATOM 0 HG3 GLN A 48 133.929 6.087 1.621 1.00 0.22 H new ATOM 0 HE21 GLN A 48 134.686 8.231 1.810 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.492 9.105 0.503 1.00 1.09 H new ATOM 738 N PHE A 49 135.468 3.298 2.639 1.00 0.17 N ATOM 739 CA PHE A 49 135.322 3.053 4.106 1.00 0.17 C ATOM 740 C PHE A 49 136.676 3.262 4.783 1.00 0.18 C ATOM 741 O PHE A 49 136.774 3.839 5.847 1.00 0.19 O ATOM 742 CB PHE A 49 134.846 1.611 4.320 1.00 0.17 C ATOM 743 CG PHE A 49 134.689 1.313 5.797 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.561 1.762 6.491 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.670 0.566 6.468 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.412 1.470 7.853 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.521 0.276 7.830 1.00 0.31 C ATOM 748 CZ PHE A 49 134.392 0.727 8.522 1.00 0.26 C ATOM 0 H PHE A 49 135.236 2.503 2.043 1.00 0.17 H new ATOM 0 HA PHE A 49 134.596 3.743 4.536 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.895 1.457 3.810 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.561 0.917 3.878 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.804 2.335 5.976 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.540 0.215 5.934 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.540 1.818 8.387 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.278 -0.296 8.346 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.276 0.502 9.572 1.00 0.26 H new ATOM 758 N LEU A 50 137.714 2.791 4.169 1.00 0.19 N ATOM 759 CA LEU A 50 139.065 2.954 4.769 1.00 0.21 C ATOM 760 C LEU A 50 139.467 4.437 4.700 1.00 0.21 C ATOM 761 O LEU A 50 140.064 4.972 5.613 1.00 0.23 O ATOM 762 CB LEU A 50 140.066 2.094 3.996 1.00 0.23 C ATOM 763 CG LEU A 50 139.648 0.614 4.058 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.552 -0.202 3.131 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.770 0.077 5.493 1.00 0.28 C ATOM 0 H LEU A 50 137.690 2.299 3.276 1.00 0.19 H new ATOM 0 HA LEU A 50 139.057 2.635 5.811 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.115 2.423 2.958 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.064 2.216 4.417 1.00 0.23 H new ATOM 0 HG LEU A 50 138.609 0.527 3.741 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.261 -1.252 3.170 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.451 0.164 2.109 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.589 -0.101 3.452 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.470 -0.971 5.516 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.803 0.166 5.828 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.123 0.654 6.154 1.00 0.28 H new ATOM 777 N VAL A 51 139.163 5.094 3.613 1.00 0.21 N ATOM 778 CA VAL A 51 139.545 6.535 3.463 1.00 0.23 C ATOM 779 C VAL A 51 138.781 7.401 4.476 1.00 0.23 C ATOM 780 O VAL A 51 139.200 8.492 4.811 1.00 0.24 O ATOM 781 CB VAL A 51 139.226 7.005 2.031 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.280 8.537 1.950 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.258 6.416 1.065 1.00 0.27 C ATOM 0 H VAL A 51 138.664 4.696 2.817 1.00 0.21 H new ATOM 0 HA VAL A 51 140.613 6.638 3.652 1.00 0.23 H new ATOM 0 HB VAL A 51 138.225 6.668 1.762 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.053 8.856 0.933 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.548 8.964 2.636 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.277 8.881 2.224 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.036 6.746 0.050 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.255 6.755 1.347 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.218 5.328 1.109 1.00 0.27 H new ATOM 793 N LEU A 52 137.663 6.931 4.954 1.00 0.22 N ATOM 794 CA LEU A 52 136.870 7.740 5.935 1.00 0.23 C ATOM 795 C LEU A 52 137.283 7.374 7.361 1.00 0.23 C ATOM 796 O LEU A 52 136.591 7.680 8.311 1.00 0.24 O ATOM 797 CB LEU A 52 135.375 7.483 5.735 1.00 0.24 C ATOM 798 CG LEU A 52 134.927 8.047 4.374 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.467 7.652 4.116 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.056 9.587 4.357 1.00 0.27 C ATOM 0 H LEU A 52 137.261 6.025 4.712 1.00 0.22 H new ATOM 0 HA LEU A 52 137.069 8.799 5.770 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.171 6.413 5.781 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.805 7.951 6.538 1.00 0.24 H new ATOM 0 HG LEU A 52 135.566 7.634 3.594 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.147 8.050 3.153 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.380 6.565 4.106 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.835 8.059 4.905 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.735 9.968 3.388 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.429 10.013 5.140 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.095 9.867 4.531 1.00 0.27 H new ATOM 812 N LYS A 53 138.411 6.742 7.526 1.00 0.22 N ATOM 813 CA LYS A 53 138.868 6.385 8.896 1.00 0.23 C ATOM 814 C LYS A 53 137.732 5.727 9.681 1.00 0.24 C ATOM 815 O LYS A 53 137.559 5.973 10.857 1.00 0.30 O ATOM 816 CB LYS A 53 139.351 7.643 9.620 1.00 0.29 C ATOM 817 CG LYS A 53 140.664 8.114 8.981 1.00 0.38 C ATOM 818 CD LYS A 53 141.203 9.352 9.717 1.00 0.49 C ATOM 819 CE LYS A 53 140.523 10.622 9.194 1.00 0.90 C ATOM 820 NZ LYS A 53 140.758 10.741 7.727 1.00 1.70 N ATOM 0 H LYS A 53 139.036 6.458 6.771 1.00 0.22 H new ATOM 0 HA LYS A 53 139.692 5.675 8.822 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.598 8.428 9.554 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.502 7.434 10.679 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.401 7.312 9.016 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.500 8.350 7.930 1.00 0.38 H new ATOM 0 HD2 LYS A 53 141.026 9.252 10.788 1.00 0.49 H new ATOM 0 HD3 LYS A 53 142.282 9.425 9.577 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.453 10.586 9.400 1.00 0.90 H new ATOM 0 HE3 LYS A 53 140.918 11.498 9.709 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 140.658 11.735 7.439 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.718 10.410 7.501 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 140.062 10.161 7.216 1.00 1.70 H new ATOM 834 N LYS A 54 136.965 4.883 9.033 1.00 0.22 N ATOM 835 CA LYS A 54 135.841 4.167 9.710 1.00 0.25 C ATOM 836 C LYS A 54 134.850 5.179 10.292 1.00 0.27 C ATOM 837 O LYS A 54 134.057 4.848 11.151 1.00 0.33 O ATOM 838 CB LYS A 54 136.402 3.290 10.835 1.00 0.35 C ATOM 839 CG LYS A 54 137.428 2.317 10.251 1.00 0.67 C ATOM 840 CD LYS A 54 137.995 1.439 11.367 1.00 0.83 C ATOM 841 CE LYS A 54 139.165 0.619 10.820 1.00 1.41 C ATOM 842 NZ LYS A 54 138.713 -0.179 9.646 1.00 2.24 N ATOM 0 H LYS A 54 137.074 4.657 8.044 1.00 0.22 H new ATOM 0 HA LYS A 54 135.323 3.542 8.982 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.867 3.912 11.600 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.596 2.739 11.319 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.961 1.695 9.487 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.232 2.869 9.765 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.328 2.059 12.199 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.221 0.776 11.753 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.981 1.281 10.530 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.552 -0.043 11.595 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 139.145 -1.125 9.682 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 137.677 -0.270 9.666 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.001 0.300 8.769 1.00 2.24 H new ATOM 856 N ASP A 55 134.862 6.397 9.830 1.00 0.29 N ATOM 857 CA ASP A 55 133.888 7.388 10.371 1.00 0.39 C ATOM 858 C ASP A 55 132.478 6.969 9.929 1.00 0.37 C ATOM 859 O ASP A 55 132.117 7.072 8.773 1.00 0.37 O ATOM 860 CB ASP A 55 134.235 8.773 9.827 1.00 0.46 C ATOM 861 CG ASP A 55 135.471 9.314 10.552 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.574 9.099 11.749 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.292 9.936 9.897 1.00 1.55 O ATOM 0 H ASP A 55 135.494 6.748 9.111 1.00 0.29 H new ATOM 0 HA ASP A 55 133.929 7.421 11.460 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.425 8.717 8.755 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.393 9.451 9.966 1.00 0.46 H new ATOM 868 N GLU A 56 131.695 6.459 10.845 1.00 0.38 N ATOM 869 CA GLU A 56 130.318 5.978 10.507 1.00 0.37 C ATOM 870 C GLU A 56 129.412 7.100 9.990 1.00 0.38 C ATOM 871 O GLU A 56 128.649 6.907 9.067 1.00 0.37 O ATOM 872 CB GLU A 56 129.691 5.372 11.766 1.00 0.39 C ATOM 873 CG GLU A 56 128.297 4.815 11.446 1.00 0.41 C ATOM 874 CD GLU A 56 127.721 4.137 12.691 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.463 3.965 13.645 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.550 3.797 12.669 1.00 0.85 O ATOM 0 H GLU A 56 131.953 6.353 11.826 1.00 0.38 H new ATOM 0 HA GLU A 56 130.409 5.240 9.710 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.329 4.577 12.153 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.618 6.130 12.546 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.638 5.620 11.119 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.359 4.100 10.625 1.00 0.41 H new ATOM 883 N ASP A 57 129.467 8.261 10.578 1.00 0.40 N ATOM 884 CA ASP A 57 128.578 9.366 10.114 1.00 0.41 C ATOM 885 C ASP A 57 129.020 9.825 8.730 1.00 0.40 C ATOM 886 O ASP A 57 128.212 10.086 7.862 1.00 0.40 O ATOM 887 CB ASP A 57 128.672 10.534 11.099 1.00 0.45 C ATOM 888 CG ASP A 57 128.001 10.148 12.418 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.163 9.262 12.397 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.339 10.744 13.428 1.00 0.73 O ATOM 0 H ASP A 57 130.085 8.494 11.356 1.00 0.40 H new ATOM 0 HA ASP A 57 127.548 9.014 10.064 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.716 10.793 11.273 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.190 11.417 10.679 1.00 0.45 H new ATOM 895 N LEU A 58 130.290 9.899 8.509 1.00 0.40 N ATOM 896 CA LEU A 58 130.764 10.310 7.165 1.00 0.40 C ATOM 897 C LEU A 58 130.458 9.189 6.177 1.00 0.37 C ATOM 898 O LEU A 58 130.051 9.423 5.057 1.00 0.38 O ATOM 899 CB LEU A 58 132.270 10.574 7.183 1.00 0.40 C ATOM 900 CG LEU A 58 132.581 11.839 7.996 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.102 11.977 8.137 1.00 0.45 C ATOM 902 CD2 LEU A 58 132.005 13.088 7.292 1.00 0.55 C ATOM 0 H LEU A 58 131.020 9.695 9.192 1.00 0.40 H new ATOM 0 HA LEU A 58 130.256 11.228 6.870 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.791 9.719 7.615 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.638 10.689 6.163 1.00 0.40 H new ATOM 0 HG LEU A 58 132.122 11.757 8.981 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.334 12.873 8.713 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.501 11.102 8.650 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.554 12.055 7.148 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.234 13.976 7.881 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.450 13.185 6.302 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.924 12.985 7.196 1.00 0.55 H new ATOM 914 N PHE A 59 130.643 7.964 6.591 1.00 0.36 N ATOM 915 CA PHE A 59 130.353 6.822 5.682 1.00 0.35 C ATOM 916 C PHE A 59 128.864 6.803 5.334 1.00 0.35 C ATOM 917 O PHE A 59 128.485 6.701 4.183 1.00 0.35 O ATOM 918 CB PHE A 59 130.736 5.508 6.362 1.00 0.34 C ATOM 919 CG PHE A 59 130.445 4.360 5.426 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.415 3.955 4.504 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.211 3.701 5.481 1.00 0.36 C ATOM 922 CE1 PHE A 59 131.153 2.892 3.634 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.949 2.636 4.610 1.00 0.38 C ATOM 924 CZ PHE A 59 129.920 2.232 3.686 1.00 0.36 C ATOM 0 H PHE A 59 130.982 7.707 7.518 1.00 0.36 H new ATOM 0 HA PHE A 59 130.936 6.938 4.768 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.793 5.517 6.628 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.175 5.388 7.289 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.367 4.463 4.464 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.462 4.013 6.194 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.902 2.580 2.922 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.998 2.126 4.651 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.718 1.411 3.014 1.00 0.36 H new ATOM 934 N ARG A 60 128.012 6.880 6.326 1.00 0.37 N ATOM 935 CA ARG A 60 126.549 6.844 6.052 1.00 0.38 C ATOM 936 C ARG A 60 126.140 8.044 5.197 1.00 0.39 C ATOM 937 O ARG A 60 125.397 7.909 4.247 1.00 0.39 O ATOM 938 CB ARG A 60 125.766 6.863 7.372 1.00 0.42 C ATOM 939 CG ARG A 60 125.957 5.529 8.100 1.00 0.43 C ATOM 940 CD ARG A 60 125.112 5.508 9.377 1.00 0.50 C ATOM 941 NE ARG A 60 125.531 6.620 10.275 1.00 1.31 N ATOM 942 CZ ARG A 60 124.767 6.970 11.275 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.649 6.331 11.497 1.00 1.16 N ATOM 944 NH2 ARG A 60 125.123 7.952 12.059 1.00 2.64 N ATOM 0 H ARG A 60 128.269 6.966 7.309 1.00 0.37 H new ATOM 0 HA ARG A 60 126.320 5.926 5.510 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.111 7.684 8.000 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.707 7.034 7.177 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.668 4.704 7.448 1.00 0.43 H new ATOM 0 HG3 ARG A 60 127.009 5.387 8.347 1.00 0.43 H new ATOM 0 HD2 ARG A 60 124.056 5.608 9.127 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.230 4.552 9.887 1.00 0.50 H new ATOM 0 HE ARG A 60 126.412 7.107 10.110 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.373 5.559 10.890 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.052 6.604 12.278 1.00 1.16 H new ATOM 0 HH21 ARG A 60 125.999 8.447 11.891 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.525 8.224 12.839 1.00 2.64 H new ATOM 958 N GLU A 61 126.617 9.219 5.514 1.00 0.41 N ATOM 959 CA GLU A 61 126.245 10.408 4.699 1.00 0.44 C ATOM 960 C GLU A 61 126.817 10.244 3.289 1.00 0.42 C ATOM 961 O GLU A 61 126.191 10.601 2.312 1.00 0.42 O ATOM 962 CB GLU A 61 126.814 11.673 5.347 1.00 0.48 C ATOM 963 CG GLU A 61 126.281 12.912 4.619 1.00 1.29 C ATOM 964 CD GLU A 61 126.706 14.174 5.374 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.377 14.040 6.385 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.358 15.255 4.925 1.00 2.32 O ATOM 0 H GLU A 61 127.244 9.404 6.297 1.00 0.41 H new ATOM 0 HA GLU A 61 125.160 10.495 4.645 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.535 11.710 6.400 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.903 11.656 5.306 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.664 12.940 3.599 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.194 12.866 4.550 1.00 1.29 H new ATOM 973 N TRP A 62 128.001 9.710 3.176 1.00 0.40 N ATOM 974 CA TRP A 62 128.611 9.527 1.826 1.00 0.38 C ATOM 975 C TRP A 62 127.779 8.558 0.978 1.00 0.36 C ATOM 976 O TRP A 62 127.463 8.824 -0.162 1.00 0.36 O ATOM 977 CB TRP A 62 130.030 8.952 1.973 1.00 0.38 C ATOM 978 CG TRP A 62 130.544 8.541 0.623 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.096 9.377 -0.283 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.532 7.217 0.007 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.432 8.653 -1.415 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.104 7.316 -1.283 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.090 5.951 0.440 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.231 6.200 -2.116 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.219 4.829 -0.395 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.788 4.955 -1.670 1.00 0.32 C ATOM 0 H TRP A 62 128.573 9.392 3.958 1.00 0.40 H new ATOM 0 HA TRP A 62 128.643 10.499 1.334 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.692 9.697 2.415 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.019 8.095 2.647 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.250 10.437 -0.147 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.868 9.056 -2.244 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.649 5.843 1.420 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.669 6.301 -3.098 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.878 3.863 -0.053 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.883 4.088 -2.307 1.00 0.32 H new ATOM 997 N LEU A 63 127.449 7.425 1.525 1.00 0.34 N ATOM 998 CA LEU A 63 126.668 6.418 0.759 1.00 0.32 C ATOM 999 C LEU A 63 125.274 6.967 0.449 1.00 0.33 C ATOM 1000 O LEU A 63 124.802 6.902 -0.668 1.00 0.32 O ATOM 1001 CB LEU A 63 126.563 5.149 1.614 1.00 0.31 C ATOM 1002 CG LEU A 63 125.767 4.059 0.885 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.516 3.601 -0.374 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.582 2.871 1.834 1.00 0.32 C ATOM 0 H LEU A 63 127.689 7.151 2.478 1.00 0.34 H new ATOM 0 HA LEU A 63 127.162 6.191 -0.186 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.562 4.780 1.848 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.080 5.384 2.562 1.00 0.31 H new ATOM 0 HG LEU A 63 124.798 4.457 0.585 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.938 2.827 -0.880 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.653 4.449 -1.045 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.490 3.201 -0.093 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.017 2.087 1.330 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.558 2.484 2.127 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.039 3.196 2.722 1.00 0.32 H new ATOM 1016 N LYS A 64 124.621 7.516 1.429 1.00 0.35 N ATOM 1017 CA LYS A 64 123.264 8.083 1.200 1.00 0.37 C ATOM 1018 C LYS A 64 123.363 9.246 0.212 1.00 0.39 C ATOM 1019 O LYS A 64 122.585 9.366 -0.714 1.00 0.39 O ATOM 1020 CB LYS A 64 122.685 8.573 2.529 1.00 0.41 C ATOM 1021 CG LYS A 64 121.284 9.149 2.305 1.00 0.43 C ATOM 1022 CD LYS A 64 120.709 9.596 3.648 1.00 0.68 C ATOM 1023 CE LYS A 64 119.308 10.174 3.440 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.683 10.441 4.764 1.00 2.11 N ATOM 0 H LYS A 64 124.969 7.598 2.384 1.00 0.35 H new ATOM 0 HA LYS A 64 122.608 7.316 0.788 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.640 7.750 3.242 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.336 9.333 2.961 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.329 9.992 1.616 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.637 8.399 1.849 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.666 8.752 4.336 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.358 10.345 4.102 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.365 11.095 2.860 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.695 9.476 2.870 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.730 10.834 4.625 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.616 9.553 5.302 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.265 11.122 5.292 1.00 2.11 H new ATOM 1038 N ASP A 65 124.326 10.102 0.414 1.00 0.41 N ATOM 1039 CA ASP A 65 124.509 11.271 -0.491 1.00 0.45 C ATOM 1040 C ASP A 65 124.966 10.788 -1.865 1.00 0.43 C ATOM 1041 O ASP A 65 124.652 11.377 -2.880 1.00 0.46 O ATOM 1042 CB ASP A 65 125.570 12.204 0.096 1.00 0.49 C ATOM 1043 CG ASP A 65 125.635 13.489 -0.730 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.521 13.398 -1.942 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.803 14.543 -0.139 1.00 1.42 O ATOM 0 H ASP A 65 125.001 10.040 1.176 1.00 0.41 H new ATOM 0 HA ASP A 65 123.564 11.805 -0.590 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.330 12.438 1.133 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.542 11.711 0.097 1.00 0.49 H new ATOM 1050 N THR A 66 125.741 9.740 -1.899 1.00 0.40 N ATOM 1051 CA THR A 66 126.264 9.237 -3.198 1.00 0.39 C ATOM 1052 C THR A 66 125.211 8.407 -3.939 1.00 0.39 C ATOM 1053 O THR A 66 125.196 8.397 -5.154 1.00 0.41 O ATOM 1054 CB THR A 66 127.509 8.381 -2.939 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.475 9.164 -2.252 1.00 0.37 O ATOM 1056 CG2 THR A 66 128.104 7.903 -4.267 1.00 0.39 C ATOM 0 H THR A 66 126.035 9.209 -1.079 1.00 0.40 H new ATOM 0 HA THR A 66 126.518 10.092 -3.824 1.00 0.39 H new ATOM 0 HB THR A 66 127.231 7.515 -2.339 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.410 8.993 -1.289 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.988 7.296 -4.072 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.365 7.307 -4.803 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.383 8.766 -4.872 1.00 0.39 H new ATOM 1064 N CYS A 67 124.356 7.674 -3.253 1.00 0.37 N ATOM 1065 CA CYS A 67 123.349 6.816 -3.971 1.00 0.38 C ATOM 1066 C CYS A 67 121.928 7.016 -3.433 1.00 0.37 C ATOM 1067 O CYS A 67 120.961 6.839 -4.147 1.00 0.40 O ATOM 1068 CB CYS A 67 123.738 5.348 -3.788 1.00 0.37 C ATOM 1069 SG CYS A 67 123.604 4.905 -2.038 1.00 0.36 S ATOM 0 H CYS A 67 124.312 7.633 -2.235 1.00 0.37 H new ATOM 0 HA CYS A 67 123.353 7.104 -5.022 1.00 0.38 H new ATOM 0 HB2 CYS A 67 123.088 4.710 -4.387 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.757 5.184 -4.139 1.00 0.37 H new ATOM 0 HG CYS A 67 124.069 5.875 -1.308 1.00 0.36 H new ATOM 1075 N GLY A 68 121.786 7.364 -2.178 1.00 0.36 N ATOM 1076 CA GLY A 68 120.418 7.555 -1.591 1.00 0.36 C ATOM 1077 C GLY A 68 120.069 6.343 -0.719 1.00 0.34 C ATOM 1078 O GLY A 68 118.930 6.145 -0.349 1.00 0.34 O ATOM 0 H GLY A 68 122.558 7.525 -1.531 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.389 8.467 -0.995 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.681 7.670 -2.386 1.00 0.36 H new ATOM 1082 N ALA A 69 121.038 5.531 -0.387 1.00 0.33 N ATOM 1083 CA ALA A 69 120.752 4.335 0.461 1.00 0.32 C ATOM 1084 C ALA A 69 119.950 4.765 1.688 1.00 0.31 C ATOM 1085 O ALA A 69 120.030 5.896 2.127 1.00 0.32 O ATOM 1086 CB ALA A 69 122.069 3.699 0.911 1.00 0.32 C ATOM 0 H ALA A 69 122.013 5.643 -0.665 1.00 0.33 H new ATOM 0 HA ALA A 69 120.178 3.609 -0.116 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.859 2.826 1.530 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.643 3.394 0.036 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.644 4.423 1.488 1.00 0.32 H new ATOM 1092 N ASN A 70 119.165 3.878 2.241 1.00 0.30 N ATOM 1093 CA ASN A 70 118.343 4.243 3.432 1.00 0.30 C ATOM 1094 C ASN A 70 119.116 3.937 4.716 1.00 0.30 C ATOM 1095 O ASN A 70 120.180 3.352 4.694 1.00 0.29 O ATOM 1096 CB ASN A 70 117.045 3.432 3.427 1.00 0.30 C ATOM 1097 CG ASN A 70 116.133 3.931 2.304 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.841 5.107 2.225 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.670 3.082 1.429 1.00 1.77 N ATOM 0 H ASN A 70 119.058 2.916 1.919 1.00 0.30 H new ATOM 0 HA ASN A 70 118.116 5.308 3.390 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.266 2.374 3.287 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.541 3.528 4.389 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.062 3.406 0.677 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.916 2.094 1.497 1.00 1.77 H new ATOM 1106 N ALA A 71 118.582 4.343 5.835 1.00 0.32 N ATOM 1107 CA ALA A 71 119.265 4.100 7.136 1.00 0.34 C ATOM 1108 C ALA A 71 119.450 2.598 7.372 1.00 0.32 C ATOM 1109 O ALA A 71 120.444 2.171 7.918 1.00 0.32 O ATOM 1110 CB ALA A 71 118.421 4.687 8.268 1.00 0.39 C ATOM 0 H ALA A 71 117.693 4.838 5.904 1.00 0.32 H new ATOM 0 HA ALA A 71 120.245 4.577 7.113 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.918 4.511 9.222 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.301 5.759 8.114 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.441 4.210 8.276 1.00 0.39 H new ATOM 1116 N LYS A 72 118.504 1.790 6.984 1.00 0.30 N ATOM 1117 CA LYS A 72 118.652 0.325 7.216 1.00 0.29 C ATOM 1118 C LYS A 72 119.743 -0.233 6.304 1.00 0.27 C ATOM 1119 O LYS A 72 120.526 -1.079 6.694 1.00 0.27 O ATOM 1120 CB LYS A 72 117.323 -0.370 6.914 1.00 0.29 C ATOM 1121 CG LYS A 72 117.424 -1.859 7.250 1.00 1.18 C ATOM 1122 CD LYS A 72 116.089 -2.540 6.943 1.00 1.29 C ATOM 1123 CE LYS A 72 116.186 -4.028 7.281 1.00 2.11 C ATOM 1124 NZ LYS A 72 116.428 -4.186 8.743 1.00 2.58 N ATOM 0 H LYS A 72 117.642 2.076 6.520 1.00 0.30 H new ATOM 0 HA LYS A 72 118.929 0.147 8.255 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.523 0.089 7.495 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.067 -0.242 5.862 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.223 -2.321 6.669 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.678 -1.989 8.302 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.290 -2.076 7.522 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.836 -2.411 5.891 1.00 1.29 H new ATOM 0 HE2 LYS A 72 115.266 -4.538 6.996 1.00 2.11 H new ATOM 0 HE3 LYS A 72 116.995 -4.489 6.715 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 116.163 -5.148 9.037 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 117.435 -4.027 8.947 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.855 -3.494 9.267 1.00 2.58 H new ATOM 1138 N GLN A 73 119.785 0.221 5.084 1.00 0.26 N ATOM 1139 CA GLN A 73 120.801 -0.285 4.124 1.00 0.25 C ATOM 1140 C GLN A 73 122.202 0.153 4.541 1.00 0.25 C ATOM 1141 O GLN A 73 123.155 -0.591 4.420 1.00 0.25 O ATOM 1142 CB GLN A 73 120.496 0.258 2.727 1.00 0.26 C ATOM 1143 CG GLN A 73 119.143 -0.274 2.256 1.00 0.29 C ATOM 1144 CD GLN A 73 119.244 -1.779 2.005 1.00 1.24 C ATOM 1145 OE1 GLN A 73 120.224 -2.253 1.465 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.268 -2.556 2.382 1.00 1.88 N ATOM 0 H GLN A 73 119.153 0.928 4.708 1.00 0.26 H new ATOM 0 HA GLN A 73 120.762 -1.374 4.118 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.484 1.348 2.744 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.279 -0.042 2.030 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.379 -0.071 3.007 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.837 0.238 1.343 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.445 -2.158 2.835 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.327 -3.562 2.224 1.00 1.88 H new ATOM 1155 N SER A 74 122.344 1.359 5.017 1.00 0.26 N ATOM 1156 CA SER A 74 123.691 1.841 5.418 1.00 0.27 C ATOM 1157 C SER A 74 124.194 1.047 6.623 1.00 0.26 C ATOM 1158 O SER A 74 125.364 0.733 6.717 1.00 0.26 O ATOM 1159 CB SER A 74 123.607 3.322 5.784 1.00 0.30 C ATOM 1160 OG SER A 74 123.227 3.446 7.147 1.00 1.36 O ATOM 0 H SER A 74 121.586 2.029 5.145 1.00 0.26 H new ATOM 0 HA SER A 74 124.384 1.704 4.588 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.570 3.805 5.617 1.00 0.30 H new ATOM 0 HB3 SER A 74 122.882 3.826 5.145 1.00 0.30 H new ATOM 0 HG SER A 74 122.347 3.037 7.280 1.00 1.36 H new ATOM 1166 N ARG A 75 123.333 0.714 7.552 1.00 0.27 N ATOM 1167 CA ARG A 75 123.789 -0.060 8.740 1.00 0.28 C ATOM 1168 C ARG A 75 124.373 -1.393 8.281 1.00 0.26 C ATOM 1169 O ARG A 75 125.348 -1.867 8.831 1.00 0.27 O ATOM 1170 CB ARG A 75 122.604 -0.303 9.677 1.00 0.30 C ATOM 1171 CG ARG A 75 122.190 1.018 10.328 1.00 0.33 C ATOM 1172 CD ARG A 75 120.902 0.816 11.130 1.00 0.61 C ATOM 1173 NE ARG A 75 121.182 -0.039 12.318 1.00 1.34 N ATOM 1174 CZ ARG A 75 120.324 -0.098 13.298 1.00 1.81 C ATOM 1175 NH1 ARG A 75 119.219 0.598 13.244 1.00 1.88 N ATOM 1176 NH2 ARG A 75 120.569 -0.853 14.334 1.00 2.80 N ATOM 0 H ARG A 75 122.340 0.945 7.537 1.00 0.27 H new ATOM 0 HA ARG A 75 124.555 0.503 9.273 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.767 -0.725 9.120 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.875 -1.029 10.443 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.985 1.377 10.982 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.038 1.780 9.563 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.505 1.780 11.448 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.141 0.349 10.504 1.00 0.61 H new ATOM 0 HE ARG A 75 122.046 -0.579 12.365 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.027 1.188 12.435 1.00 1.88 H new ATOM 0 HH12 ARG A 75 118.549 0.551 14.011 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.431 -1.396 14.377 1.00 2.80 H new ATOM 0 HH22 ARG A 75 119.898 -0.900 15.101 1.00 2.80 H new ATOM 1190 N ASP A 76 123.792 -2.020 7.297 1.00 0.25 N ATOM 1191 CA ASP A 76 124.312 -3.332 6.833 1.00 0.24 C ATOM 1192 C ASP A 76 125.677 -3.160 6.167 1.00 0.23 C ATOM 1193 O ASP A 76 126.562 -3.974 6.345 1.00 0.23 O ATOM 1194 CB ASP A 76 123.328 -3.938 5.830 1.00 0.24 C ATOM 1195 CG ASP A 76 122.053 -4.367 6.560 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.112 -4.535 7.766 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.038 -4.519 5.899 1.00 0.39 O ATOM 0 H ASP A 76 122.975 -1.676 6.793 1.00 0.25 H new ATOM 0 HA ASP A 76 124.422 -3.994 7.692 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.088 -3.210 5.055 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.781 -4.796 5.333 1.00 0.24 H new ATOM 1202 N CYS A 77 125.872 -2.117 5.406 1.00 0.22 N ATOM 1203 CA CYS A 77 127.196 -1.931 4.756 1.00 0.22 C ATOM 1204 C CYS A 77 128.248 -1.627 5.821 1.00 0.22 C ATOM 1205 O CYS A 77 129.363 -2.103 5.752 1.00 0.21 O ATOM 1206 CB CYS A 77 127.120 -0.761 3.773 1.00 0.23 C ATOM 1207 SG CYS A 77 126.097 -1.233 2.356 1.00 0.24 S ATOM 0 H CYS A 77 125.179 -1.395 5.209 1.00 0.22 H new ATOM 0 HA CYS A 77 127.469 -2.841 4.222 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.697 0.115 4.265 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.121 -0.487 3.438 1.00 0.23 H new ATOM 0 HG CYS A 77 126.005 -2.528 2.300 1.00 0.24 H new ATOM 1213 N PHE A 78 127.916 -0.830 6.801 1.00 0.23 N ATOM 1214 CA PHE A 78 128.926 -0.501 7.843 1.00 0.25 C ATOM 1215 C PHE A 78 129.374 -1.783 8.543 1.00 0.24 C ATOM 1216 O PHE A 78 130.535 -2.137 8.524 1.00 0.23 O ATOM 1217 CB PHE A 78 128.312 0.452 8.870 1.00 0.29 C ATOM 1218 CG PHE A 78 129.379 0.890 9.847 1.00 0.32 C ATOM 1219 CD1 PHE A 78 129.609 0.148 11.011 1.00 0.38 C ATOM 1220 CD2 PHE A 78 130.140 2.036 9.585 1.00 0.36 C ATOM 1221 CE1 PHE A 78 130.602 0.552 11.914 1.00 0.43 C ATOM 1222 CE2 PHE A 78 131.131 2.440 10.489 1.00 0.41 C ATOM 1223 CZ PHE A 78 131.362 1.698 11.652 1.00 0.43 C ATOM 0 H PHE A 78 127.000 -0.398 6.923 1.00 0.23 H new ATOM 0 HA PHE A 78 129.786 -0.023 7.374 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.885 1.320 8.368 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.498 -0.042 9.400 1.00 0.29 H new ATOM 0 HD1 PHE A 78 129.022 -0.735 11.213 1.00 0.38 H new ATOM 0 HD2 PHE A 78 129.963 2.608 8.686 1.00 0.36 H new ATOM 0 HE1 PHE A 78 130.781 -0.021 12.812 1.00 0.43 H new ATOM 0 HE2 PHE A 78 131.717 3.325 10.288 1.00 0.41 H new ATOM 0 HZ PHE A 78 132.127 2.009 12.348 1.00 0.43 H new ATOM 1233 N GLY A 79 128.460 -2.481 9.164 1.00 0.25 N ATOM 1234 CA GLY A 79 128.820 -3.742 9.870 1.00 0.26 C ATOM 1235 C GLY A 79 129.419 -4.747 8.884 1.00 0.24 C ATOM 1236 O GLY A 79 130.317 -5.495 9.211 1.00 0.24 O ATOM 0 H GLY A 79 127.473 -2.228 9.212 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.535 -3.531 10.665 1.00 0.26 H new ATOM 0 HA3 GLY A 79 127.935 -4.168 10.342 1.00 0.26 H new ATOM 1240 N CYS A 80 128.932 -4.767 7.678 1.00 0.22 N ATOM 1241 CA CYS A 80 129.480 -5.727 6.678 1.00 0.22 C ATOM 1242 C CYS A 80 130.902 -5.320 6.302 1.00 0.22 C ATOM 1243 O CYS A 80 131.805 -6.133 6.296 1.00 0.23 O ATOM 1244 CB CYS A 80 128.598 -5.721 5.430 1.00 0.22 C ATOM 1245 SG CYS A 80 129.293 -6.842 4.187 1.00 0.25 S ATOM 0 H CYS A 80 128.182 -4.164 7.340 1.00 0.22 H new ATOM 0 HA CYS A 80 129.494 -6.729 7.107 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.585 -6.030 5.687 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.530 -4.711 5.026 1.00 0.22 H new ATOM 0 HG CYS A 80 129.178 -6.307 3.008 1.00 0.25 H new ATOM 1251 N LEU A 81 131.118 -4.070 6.013 1.00 0.21 N ATOM 1252 CA LEU A 81 132.501 -3.646 5.670 1.00 0.21 C ATOM 1253 C LEU A 81 133.360 -3.712 6.936 1.00 0.22 C ATOM 1254 O LEU A 81 134.503 -4.124 6.899 1.00 0.22 O ATOM 1255 CB LEU A 81 132.474 -2.213 5.125 1.00 0.22 C ATOM 1256 CG LEU A 81 131.621 -2.152 3.844 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.202 -0.707 3.574 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.429 -2.658 2.639 1.00 0.28 C ATOM 0 H LEU A 81 130.411 -3.335 5.999 1.00 0.21 H new ATOM 0 HA LEU A 81 132.921 -4.303 4.909 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.065 -1.537 5.876 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.489 -1.877 4.912 1.00 0.22 H new ATOM 0 HG LEU A 81 130.742 -2.781 3.985 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.599 -0.667 2.667 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.618 -0.334 4.415 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.090 -0.088 3.447 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.813 -2.609 1.741 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.314 -2.035 2.507 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.735 -3.690 2.813 1.00 0.28 H new ATOM 1270 N ARG A 82 132.817 -3.311 8.057 1.00 0.22 N ATOM 1271 CA ARG A 82 133.595 -3.354 9.330 1.00 0.24 C ATOM 1272 C ARG A 82 133.941 -4.801 9.683 1.00 0.25 C ATOM 1273 O ARG A 82 135.039 -5.091 10.115 1.00 0.26 O ATOM 1274 CB ARG A 82 132.764 -2.706 10.448 1.00 0.28 C ATOM 1275 CG ARG A 82 133.468 -2.836 11.811 1.00 0.33 C ATOM 1276 CD ARG A 82 134.867 -2.192 11.783 1.00 0.84 C ATOM 1277 NE ARG A 82 135.879 -3.262 11.549 1.00 1.41 N ATOM 1278 CZ ARG A 82 137.109 -2.955 11.248 1.00 1.95 C ATOM 1279 NH1 ARG A 82 137.462 -1.705 11.141 1.00 2.25 N ATOM 1280 NH2 ARG A 82 137.987 -3.903 11.055 1.00 2.73 N ATOM 0 H ARG A 82 131.865 -2.955 8.145 1.00 0.22 H new ATOM 0 HA ARG A 82 134.527 -2.801 9.212 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.600 -1.653 10.219 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.783 -3.178 10.496 1.00 0.28 H new ATOM 0 HG2 ARG A 82 132.862 -2.361 12.582 1.00 0.33 H new ATOM 0 HG3 ARG A 82 133.556 -3.889 12.078 1.00 0.33 H new ATOM 0 HD2 ARG A 82 134.922 -1.441 10.995 1.00 0.84 H new ATOM 0 HD3 ARG A 82 135.067 -1.681 12.725 1.00 0.84 H new ATOM 0 HE ARG A 82 135.606 -4.242 11.625 1.00 1.41 H new ATOM 0 HH11 ARG A 82 136.775 -0.966 11.293 1.00 2.25 H new ATOM 0 HH12 ARG A 82 138.425 -1.465 10.905 1.00 2.25 H new ATOM 0 HH21 ARG A 82 137.709 -4.881 11.140 1.00 2.73 H new ATOM 0 HH22 ARG A 82 138.951 -3.665 10.819 1.00 2.73 H new ATOM 1294 N GLU A 83 133.021 -5.715 9.519 1.00 0.25 N ATOM 1295 CA GLU A 83 133.314 -7.137 9.862 1.00 0.28 C ATOM 1296 C GLU A 83 134.315 -7.736 8.872 1.00 0.27 C ATOM 1297 O GLU A 83 135.200 -8.471 9.263 1.00 0.29 O ATOM 1298 CB GLU A 83 132.018 -7.958 9.855 1.00 0.30 C ATOM 1299 CG GLU A 83 131.194 -7.624 11.103 1.00 0.33 C ATOM 1300 CD GLU A 83 129.850 -8.352 11.042 1.00 1.19 C ATOM 1301 OE1 GLU A 83 129.621 -9.054 10.071 1.00 1.91 O ATOM 1302 OE2 GLU A 83 129.073 -8.197 11.971 1.00 1.56 O ATOM 0 H GLU A 83 132.082 -5.539 9.163 1.00 0.25 H new ATOM 0 HA GLU A 83 133.752 -7.167 10.860 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.441 -7.739 8.956 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.250 -9.023 9.834 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.738 -7.919 12.000 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.033 -6.548 11.167 1.00 0.33 H new ATOM 1309 N TRP A 84 134.217 -7.438 7.602 1.00 0.25 N ATOM 1310 CA TRP A 84 135.205 -8.012 6.648 1.00 0.25 C ATOM 1311 C TRP A 84 136.592 -7.538 7.075 1.00 0.27 C ATOM 1312 O TRP A 84 137.549 -8.286 7.083 1.00 0.28 O ATOM 1313 CB TRP A 84 134.912 -7.523 5.228 1.00 0.25 C ATOM 1314 CG TRP A 84 135.870 -8.166 4.276 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.616 -9.291 3.570 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.221 -7.756 3.918 1.00 0.30 C ATOM 1317 NE1 TRP A 84 136.723 -9.599 2.802 1.00 0.33 N ATOM 1318 CE2 TRP A 84 137.739 -8.682 2.981 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.038 -6.681 4.309 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.022 -8.548 2.453 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.331 -6.543 3.779 1.00 0.35 C ATOM 1322 CH2 TRP A 84 139.821 -7.475 2.853 1.00 0.37 C ATOM 0 H TRP A 84 133.507 -6.832 7.192 1.00 0.25 H new ATOM 0 HA TRP A 84 135.148 -9.100 6.656 1.00 0.25 H new ATOM 0 HB2 TRP A 84 133.887 -7.768 4.951 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.005 -6.438 5.178 1.00 0.25 H new ATOM 0 HD1 TRP A 84 134.697 -9.857 3.601 1.00 0.30 H new ATOM 0 HE1 TRP A 84 136.782 -10.405 2.179 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.669 -5.957 5.021 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.395 -9.268 1.740 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 139.952 -5.714 4.086 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.816 -7.363 2.449 1.00 0.37 H new ATOM 1333 N CYS A 85 136.694 -6.290 7.445 1.00 0.27 N ATOM 1334 CA CYS A 85 138.007 -5.747 7.893 1.00 0.30 C ATOM 1335 C CYS A 85 138.450 -6.493 9.153 1.00 0.33 C ATOM 1336 O CYS A 85 139.606 -6.829 9.316 1.00 0.36 O ATOM 1337 CB CYS A 85 137.852 -4.257 8.208 1.00 0.33 C ATOM 1338 SG CYS A 85 137.659 -3.328 6.667 1.00 0.33 S ATOM 0 H CYS A 85 135.923 -5.622 7.456 1.00 0.27 H new ATOM 0 HA CYS A 85 138.753 -5.877 7.109 1.00 0.30 H new ATOM 0 HB2 CYS A 85 136.986 -4.099 8.851 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.724 -3.898 8.754 1.00 0.33 H new ATOM 0 HG CYS A 85 136.417 -3.373 6.286 1.00 0.33 H new ATOM 1344 N ASP A 86 137.530 -6.761 10.038 1.00 0.34 N ATOM 1345 CA ASP A 86 137.874 -7.497 11.288 1.00 0.39 C ATOM 1346 C ASP A 86 138.439 -8.875 10.942 1.00 0.41 C ATOM 1347 O ASP A 86 139.329 -9.374 11.603 1.00 0.43 O ATOM 1348 CB ASP A 86 136.622 -7.654 12.153 1.00 0.41 C ATOM 1349 CG ASP A 86 136.226 -6.293 12.731 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.075 -5.419 12.770 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.081 -6.150 13.127 1.00 0.51 O ATOM 0 H ASP A 86 136.548 -6.500 9.949 1.00 0.34 H new ATOM 0 HA ASP A 86 138.626 -6.933 11.840 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.804 -8.060 11.557 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.811 -8.362 12.960 1.00 0.41 H new ATOM 1356 N ALA A 87 137.919 -9.505 9.921 1.00 0.41 N ATOM 1357 CA ALA A 87 138.414 -10.862 9.547 1.00 0.43 C ATOM 1358 C ALA A 87 139.634 -10.739 8.635 1.00 0.43 C ATOM 1359 O ALA A 87 140.563 -11.519 8.724 1.00 0.48 O ATOM 1360 CB ALA A 87 137.309 -11.615 8.805 1.00 0.41 C ATOM 0 H ALA A 87 137.173 -9.138 9.330 1.00 0.41 H new ATOM 0 HA ALA A 87 138.692 -11.403 10.451 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.666 -12.607 8.530 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.436 -11.710 9.451 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.036 -11.065 7.904 1.00 0.41 H new ATOM 1366 N PHE A 88 139.633 -9.781 7.741 1.00 0.40 N ATOM 1367 CA PHE A 88 140.785 -9.629 6.800 1.00 0.44 C ATOM 1368 C PHE A 88 141.687 -8.481 7.241 1.00 0.54 C ATOM 1369 O PHE A 88 142.687 -8.681 7.902 1.00 1.24 O ATOM 1370 CB PHE A 88 140.252 -9.314 5.400 1.00 0.41 C ATOM 1371 CG PHE A 88 139.629 -10.548 4.801 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.428 -11.468 4.116 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.252 -10.767 4.920 1.00 0.35 C ATOM 1374 CE1 PHE A 88 139.852 -12.609 3.550 1.00 0.47 C ATOM 1375 CE2 PHE A 88 137.675 -11.907 4.351 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.477 -12.827 3.666 1.00 0.45 C ATOM 0 H PHE A 88 138.885 -9.098 7.623 1.00 0.40 H new ATOM 0 HA PHE A 88 141.356 -10.557 6.796 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.515 -8.513 5.453 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.063 -8.959 4.764 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.490 -11.297 4.024 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.635 -10.057 5.451 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.470 -13.322 3.023 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.612 -12.077 4.440 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.032 -13.707 3.226 1.00 0.45 H new ATOM 1386 N LEU A 89 141.358 -7.278 6.854 1.00 0.39 N ATOM 1387 CA LEU A 89 142.200 -6.106 7.212 1.00 0.36 C ATOM 1388 C LEU A 89 141.824 -5.600 8.606 1.00 0.87 C ATOM 1389 O LEU A 89 140.855 -4.868 8.706 1.00 1.43 O ATOM 1390 CB LEU A 89 141.944 -5.011 6.173 1.00 0.74 C ATOM 1391 CG LEU A 89 142.599 -3.695 6.596 1.00 0.47 C ATOM 1392 CD1 LEU A 89 144.064 -3.932 6.967 1.00 1.00 C ATOM 1393 CD2 LEU A 89 142.521 -2.716 5.421 1.00 1.28 C ATOM 1394 OXT LEU A 89 142.514 -5.950 9.549 1.00 1.66 O ATOM 0 H LEU A 89 140.531 -7.057 6.299 1.00 0.39 H new ATOM 0 HA LEU A 89 143.254 -6.383 7.221 1.00 0.36 H new ATOM 0 HB2 LEU A 89 142.337 -5.323 5.205 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.871 -4.865 6.049 1.00 0.74 H new ATOM 0 HG LEU A 89 142.081 -3.288 7.464 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.521 -2.989 7.267 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.120 -4.641 7.793 1.00 1.00 H new ATOM 0 HD13 LEU A 89 144.597 -4.336 6.106 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.984 -1.770 5.704 1.00 1.28 H new ATOM 0 HD22 LEU A 89 143.047 -3.135 4.563 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.477 -2.545 5.159 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 164.878 -8.392 -3.936 1.00 3.74 N ATOM 1408 CA MET B 1 163.693 -7.596 -3.508 1.00 3.26 C ATOM 1409 C MET B 1 163.930 -6.116 -3.825 1.00 2.28 C ATOM 1410 O MET B 1 163.003 -5.372 -4.077 1.00 2.68 O ATOM 1411 CB MET B 1 163.475 -7.777 -2.002 1.00 3.75 C ATOM 1412 CG MET B 1 164.721 -7.315 -1.241 1.00 4.33 C ATOM 1413 SD MET B 1 164.489 -7.612 0.530 1.00 5.04 S ATOM 1414 CE MET B 1 166.077 -6.939 1.079 1.00 5.66 C ATOM 0 H1 MET B 1 164.786 -9.367 -3.586 1.00 3.74 H new ATOM 0 H2 MET B 1 164.934 -8.400 -4.974 1.00 3.74 H new ATOM 0 H3 MET B 1 165.742 -7.965 -3.546 1.00 3.74 H new ATOM 0 HA MET B 1 162.808 -7.940 -4.043 1.00 3.26 H new ATOM 0 HB2 MET B 1 162.606 -7.203 -1.679 1.00 3.75 H new ATOM 0 HB3 MET B 1 163.267 -8.823 -1.778 1.00 3.75 H new ATOM 0 HG2 MET B 1 165.599 -7.852 -1.599 1.00 4.33 H new ATOM 0 HG3 MET B 1 164.900 -6.255 -1.423 1.00 4.33 H new ATOM 0 HE1 MET B 1 166.152 -7.021 2.163 1.00 5.66 H new ATOM 0 HE2 MET B 1 166.889 -7.499 0.616 1.00 5.66 H new ATOM 0 HE3 MET B 1 166.148 -5.891 0.789 1.00 5.66 H new ATOM 1426 N THR B 2 165.167 -5.688 -3.818 1.00 1.63 N ATOM 1427 CA THR B 2 165.480 -4.257 -4.123 1.00 1.44 C ATOM 1428 C THR B 2 164.900 -3.347 -3.032 1.00 1.17 C ATOM 1429 O THR B 2 165.500 -2.359 -2.655 1.00 1.22 O ATOM 1430 CB THR B 2 164.879 -3.877 -5.487 1.00 2.22 C ATOM 1431 OG1 THR B 2 164.979 -4.983 -6.371 1.00 2.78 O ATOM 1432 CG2 THR B 2 165.638 -2.685 -6.076 1.00 3.02 C ATOM 0 H THR B 2 165.979 -6.271 -3.613 1.00 1.63 H new ATOM 0 HA THR B 2 166.562 -4.128 -4.154 1.00 1.44 H new ATOM 0 HB THR B 2 163.832 -3.606 -5.355 1.00 2.22 H new ATOM 0 HG1 THR B 2 164.595 -4.743 -7.240 1.00 2.78 H new ATOM 0 HG21 THR B 2 165.208 -2.421 -7.042 1.00 3.02 H new ATOM 0 HG22 THR B 2 165.561 -1.834 -5.399 1.00 3.02 H new ATOM 0 HG23 THR B 2 166.687 -2.950 -6.207 1.00 3.02 H new ATOM 1440 N THR B 3 163.739 -3.662 -2.531 1.00 0.96 N ATOM 1441 CA THR B 3 163.125 -2.807 -1.478 1.00 0.76 C ATOM 1442 C THR B 3 163.749 -3.121 -0.116 1.00 0.69 C ATOM 1443 O THR B 3 164.476 -4.082 0.039 1.00 0.75 O ATOM 1444 CB THR B 3 161.621 -3.079 -1.419 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.401 -4.423 -1.008 1.00 0.80 O ATOM 1446 CG2 THR B 3 161.008 -2.861 -2.802 1.00 0.76 C ATOM 0 H THR B 3 163.188 -4.475 -2.805 1.00 0.96 H new ATOM 0 HA THR B 3 163.304 -1.759 -1.720 1.00 0.76 H new ATOM 0 HB THR B 3 161.155 -2.399 -0.706 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.905 -4.901 -1.705 1.00 0.80 H new ATOM 0 HG21 THR B 3 159.936 -3.055 -2.760 1.00 0.76 H new ATOM 0 HG22 THR B 3 161.178 -1.832 -3.117 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.472 -3.541 -3.517 1.00 0.76 H new ATOM 1454 N SER B 4 163.466 -2.314 0.871 1.00 0.63 N ATOM 1455 CA SER B 4 164.034 -2.557 2.227 1.00 0.62 C ATOM 1456 C SER B 4 163.285 -3.715 2.889 1.00 0.60 C ATOM 1457 O SER B 4 162.282 -4.192 2.397 1.00 0.58 O ATOM 1458 CB SER B 4 163.881 -1.294 3.075 1.00 0.63 C ATOM 1459 OG SER B 4 164.769 -0.296 2.587 1.00 1.50 O ATOM 0 H SER B 4 162.864 -1.494 0.795 1.00 0.63 H new ATOM 0 HA SER B 4 165.091 -2.810 2.143 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.853 -0.935 3.033 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.100 -1.514 4.120 1.00 0.63 H new ATOM 0 HG SER B 4 164.675 0.517 3.125 1.00 1.50 H new ATOM 1465 N GLN B 5 163.798 -4.178 3.997 1.00 0.63 N ATOM 1466 CA GLN B 5 163.176 -5.327 4.717 1.00 0.64 C ATOM 1467 C GLN B 5 161.740 -4.990 5.126 1.00 0.60 C ATOM 1468 O GLN B 5 160.898 -5.860 5.220 1.00 0.60 O ATOM 1469 CB GLN B 5 164.004 -5.635 5.967 1.00 0.71 C ATOM 1470 CG GLN B 5 163.452 -6.880 6.663 1.00 1.34 C ATOM 1471 CD GLN B 5 164.337 -7.224 7.863 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.334 -6.572 8.104 1.00 2.09 O ATOM 1473 NE2 GLN B 5 164.022 -8.237 8.621 1.00 2.18 N ATOM 0 H GLN B 5 164.636 -3.802 4.441 1.00 0.63 H new ATOM 0 HA GLN B 5 163.154 -6.194 4.057 1.00 0.64 H new ATOM 0 HB2 GLN B 5 165.047 -5.793 5.693 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.979 -4.785 6.649 1.00 0.71 H new ATOM 0 HG2 GLN B 5 162.428 -6.703 6.991 1.00 1.34 H new ATOM 0 HG3 GLN B 5 163.423 -7.718 5.966 1.00 1.34 H new ATOM 0 HE21 GLN B 5 163.185 -8.784 8.419 1.00 2.18 H new ATOM 0 HE22 GLN B 5 164.612 -8.482 9.416 1.00 2.18 H new ATOM 1482 N LYS B 6 161.452 -3.743 5.379 1.00 0.59 N ATOM 1483 CA LYS B 6 160.068 -3.371 5.792 1.00 0.57 C ATOM 1484 C LYS B 6 159.092 -3.767 4.681 1.00 0.51 C ATOM 1485 O LYS B 6 157.964 -4.137 4.939 1.00 0.50 O ATOM 1486 CB LYS B 6 159.987 -1.861 6.028 1.00 0.58 C ATOM 1487 CG LYS B 6 160.837 -1.498 7.245 1.00 0.66 C ATOM 1488 CD LYS B 6 160.766 0.010 7.493 1.00 0.80 C ATOM 1489 CE LYS B 6 161.622 0.366 8.712 1.00 1.25 C ATOM 1490 NZ LYS B 6 161.607 1.842 8.920 1.00 2.01 N ATOM 0 H LYS B 6 162.112 -2.968 5.318 1.00 0.59 H new ATOM 0 HA LYS B 6 159.810 -3.891 6.714 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.341 -1.324 5.148 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.952 -1.561 6.190 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.482 -2.038 8.123 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.871 -1.801 7.082 1.00 0.66 H new ATOM 0 HD2 LYS B 6 161.120 0.551 6.616 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.733 0.314 7.659 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.239 -0.140 9.598 1.00 1.25 H new ATOM 0 HE3 LYS B 6 162.645 0.020 8.564 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 162.189 2.082 9.748 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 161.992 2.315 8.078 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 160.630 2.160 9.080 1.00 2.01 H new ATOM 1504 N HIS B 7 159.510 -3.691 3.448 1.00 0.49 N ATOM 1505 CA HIS B 7 158.600 -4.062 2.326 1.00 0.45 C ATOM 1506 C HIS B 7 158.157 -5.520 2.467 1.00 0.45 C ATOM 1507 O HIS B 7 156.988 -5.836 2.371 1.00 0.43 O ATOM 1508 CB HIS B 7 159.340 -3.860 0.996 1.00 0.45 C ATOM 1509 CG HIS B 7 158.590 -4.516 -0.138 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.747 -3.810 -0.988 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.562 -5.817 -0.583 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.256 -4.684 -1.889 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.722 -5.915 -1.684 1.00 0.42 N ATOM 0 H HIS B 7 160.443 -3.388 3.168 1.00 0.49 H new ATOM 0 HA HIS B 7 157.713 -3.429 2.350 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.453 -2.795 0.795 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.344 -4.280 1.065 1.00 0.45 H new ATOM 0 HD2 HIS B 7 159.110 -6.637 -0.143 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.570 -4.419 -2.680 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.507 -6.754 -2.223 1.00 0.42 H new ATOM 1521 N ARG B 8 159.086 -6.419 2.686 1.00 0.48 N ATOM 1522 CA ARG B 8 158.736 -7.861 2.826 1.00 0.50 C ATOM 1523 C ARG B 8 157.984 -8.088 4.135 1.00 0.51 C ATOM 1524 O ARG B 8 157.111 -8.926 4.225 1.00 0.51 O ATOM 1525 CB ARG B 8 160.025 -8.690 2.850 1.00 0.55 C ATOM 1526 CG ARG B 8 160.784 -8.556 1.522 1.00 0.57 C ATOM 1527 CD ARG B 8 160.133 -9.413 0.425 1.00 1.00 C ATOM 1528 NE ARG B 8 159.952 -10.805 0.923 1.00 1.70 N ATOM 1529 CZ ARG B 8 159.189 -11.639 0.271 1.00 2.29 C ATOM 1530 NH1 ARG B 8 158.601 -11.263 -0.832 1.00 2.43 N ATOM 1531 NH2 ARG B 8 159.020 -12.852 0.720 1.00 3.23 N ATOM 0 H ARG B 8 160.080 -6.210 2.774 1.00 0.48 H new ATOM 0 HA ARG B 8 158.108 -8.160 1.987 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.660 -8.360 3.672 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.786 -9.738 3.033 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.798 -7.511 1.211 1.00 0.57 H new ATOM 0 HG3 ARG B 8 161.821 -8.862 1.660 1.00 0.57 H new ATOM 0 HD2 ARG B 8 159.170 -8.989 0.141 1.00 1.00 H new ATOM 0 HD3 ARG B 8 160.757 -9.414 -0.469 1.00 1.00 H new ATOM 0 HE ARG B 8 160.425 -11.107 1.775 1.00 1.70 H new ATOM 0 HH11 ARG B 8 158.738 -10.316 -1.186 1.00 2.43 H new ATOM 0 HH12 ARG B 8 158.005 -11.916 -1.340 1.00 2.43 H new ATOM 0 HH21 ARG B 8 159.484 -13.147 1.579 1.00 3.23 H new ATOM 0 HH22 ARG B 8 158.424 -13.505 0.212 1.00 3.23 H new ATOM 1545 N ASP B 9 158.322 -7.351 5.149 1.00 0.52 N ATOM 1546 CA ASP B 9 157.635 -7.533 6.455 1.00 0.54 C ATOM 1547 C ASP B 9 156.180 -7.077 6.339 1.00 0.49 C ATOM 1548 O ASP B 9 155.282 -7.685 6.887 1.00 0.48 O ATOM 1549 CB ASP B 9 158.339 -6.707 7.530 1.00 0.61 C ATOM 1550 CG ASP B 9 159.706 -7.323 7.832 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.897 -8.483 7.505 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.538 -6.627 8.390 1.00 0.76 O ATOM 0 H ASP B 9 159.044 -6.630 5.132 1.00 0.52 H new ATOM 0 HA ASP B 9 157.666 -8.587 6.730 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.459 -5.677 7.193 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.733 -6.677 8.436 1.00 0.61 H new ATOM 1557 N PHE B 10 155.945 -6.003 5.641 1.00 0.46 N ATOM 1558 CA PHE B 10 154.552 -5.497 5.502 1.00 0.43 C ATOM 1559 C PHE B 10 153.680 -6.542 4.796 1.00 0.37 C ATOM 1560 O PHE B 10 152.587 -6.845 5.232 1.00 0.36 O ATOM 1561 CB PHE B 10 154.575 -4.200 4.690 1.00 0.45 C ATOM 1562 CG PHE B 10 153.207 -3.563 4.709 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.876 -2.659 5.725 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.276 -3.867 3.710 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.612 -2.060 5.743 1.00 0.44 C ATOM 1566 CE2 PHE B 10 151.011 -3.266 3.728 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.679 -2.362 4.745 1.00 0.43 C ATOM 0 H PHE B 10 156.657 -5.453 5.160 1.00 0.46 H new ATOM 0 HA PHE B 10 154.132 -5.306 6.489 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.312 -3.513 5.105 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.876 -4.408 3.663 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.596 -2.424 6.495 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.532 -4.564 2.926 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.356 -1.364 6.528 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.291 -3.500 2.957 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.704 -1.898 4.759 1.00 0.43 H new ATOM 1577 N VAL B 11 154.149 -7.091 3.708 1.00 0.37 N ATOM 1578 CA VAL B 11 153.344 -8.114 2.972 1.00 0.35 C ATOM 1579 C VAL B 11 153.511 -9.492 3.626 1.00 0.36 C ATOM 1580 O VAL B 11 153.086 -10.496 3.088 1.00 0.37 O ATOM 1581 CB VAL B 11 153.836 -8.182 1.526 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.759 -6.790 0.893 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.286 -8.678 1.508 1.00 0.40 C ATOM 0 H VAL B 11 155.056 -6.876 3.295 1.00 0.37 H new ATOM 0 HA VAL B 11 152.291 -7.833 3.002 1.00 0.35 H new ATOM 0 HB VAL B 11 153.210 -8.870 0.958 1.00 0.37 H new ATOM 0 HG11 VAL B 11 154.110 -6.839 -0.138 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.727 -6.440 0.909 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.385 -6.099 1.457 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.641 -8.728 0.479 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.913 -7.990 2.075 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.337 -9.670 1.958 1.00 0.40 H new ATOM 1593 N ALA B 12 154.122 -9.549 4.783 1.00 0.41 N ATOM 1594 CA ALA B 12 154.319 -10.862 5.485 1.00 0.47 C ATOM 1595 C ALA B 12 153.319 -11.024 6.635 1.00 0.45 C ATOM 1596 O ALA B 12 153.113 -12.112 7.135 1.00 0.48 O ATOM 1597 CB ALA B 12 155.732 -10.920 6.064 1.00 0.53 C ATOM 0 H ALA B 12 154.496 -8.739 5.277 1.00 0.41 H new ATOM 0 HA ALA B 12 154.165 -11.662 4.761 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.877 -11.872 6.574 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.460 -10.825 5.258 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.868 -10.104 6.774 1.00 0.53 H new ATOM 1603 N GLU B 13 152.698 -9.961 7.066 1.00 0.42 N ATOM 1604 CA GLU B 13 151.724 -10.076 8.191 1.00 0.43 C ATOM 1605 C GLU B 13 150.740 -8.902 8.126 1.00 0.39 C ATOM 1606 O GLU B 13 151.082 -7.845 7.637 1.00 0.36 O ATOM 1607 CB GLU B 13 152.491 -10.023 9.511 1.00 0.46 C ATOM 1608 CG GLU B 13 153.509 -8.881 9.453 1.00 0.48 C ATOM 1609 CD GLU B 13 154.168 -8.708 10.822 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.443 -8.561 11.792 1.00 1.27 O ATOM 1611 OE2 GLU B 13 155.387 -8.723 10.876 1.00 1.04 O ATOM 0 H GLU B 13 152.821 -9.021 6.691 1.00 0.42 H new ATOM 0 HA GLU B 13 151.175 -11.015 8.118 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.801 -9.870 10.341 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.999 -10.971 9.689 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.266 -9.094 8.698 1.00 0.48 H new ATOM 0 HG3 GLU B 13 153.015 -7.955 9.157 1.00 0.48 H new ATOM 1618 N PRO B 14 149.534 -9.060 8.627 1.00 0.42 N ATOM 1619 CA PRO B 14 148.535 -7.958 8.622 1.00 0.40 C ATOM 1620 C PRO B 14 149.197 -6.616 8.955 1.00 0.36 C ATOM 1621 O PRO B 14 150.259 -6.580 9.544 1.00 0.36 O ATOM 1622 CB PRO B 14 147.545 -8.376 9.714 1.00 0.45 C ATOM 1623 CG PRO B 14 147.576 -9.875 9.703 1.00 0.49 C ATOM 1624 CD PRO B 14 148.989 -10.285 9.249 1.00 0.48 C ATOM 0 HA PRO B 14 148.060 -7.814 7.652 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.838 -7.981 10.687 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.544 -7.999 9.506 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.357 -10.274 10.693 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.821 -10.273 9.025 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.600 -10.611 10.091 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.956 -11.112 8.540 1.00 0.48 H new ATOM 1632 N MET B 15 148.599 -5.515 8.584 1.00 0.35 N ATOM 1633 CA MET B 15 149.233 -4.196 8.890 1.00 0.34 C ATOM 1634 C MET B 15 148.745 -3.694 10.247 1.00 0.35 C ATOM 1635 O MET B 15 149.406 -2.921 10.913 1.00 0.37 O ATOM 1636 CB MET B 15 148.861 -3.180 7.806 1.00 0.36 C ATOM 1637 CG MET B 15 147.348 -3.174 7.588 1.00 0.40 C ATOM 1638 SD MET B 15 146.876 -1.633 6.755 1.00 0.56 S ATOM 1639 CE MET B 15 146.779 -2.279 5.068 1.00 0.42 C ATOM 0 H MET B 15 147.709 -5.469 8.088 1.00 0.35 H new ATOM 0 HA MET B 15 150.316 -4.317 8.916 1.00 0.34 H new ATOM 0 HB2 MET B 15 149.198 -2.185 8.098 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.369 -3.428 6.874 1.00 0.36 H new ATOM 0 HG2 MET B 15 147.051 -4.033 6.986 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.830 -3.259 8.543 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.994 -1.479 4.359 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.507 -3.080 4.943 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.777 -2.667 4.884 1.00 0.42 H new ATOM 1649 N GLY B 16 147.592 -4.135 10.666 1.00 0.36 N ATOM 1650 CA GLY B 16 147.059 -3.692 11.981 1.00 0.39 C ATOM 1651 C GLY B 16 147.005 -2.164 12.031 1.00 0.38 C ATOM 1652 O GLY B 16 146.564 -1.520 11.100 1.00 0.37 O ATOM 0 H GLY B 16 146.996 -4.784 10.153 1.00 0.36 H new ATOM 0 HA2 GLY B 16 146.063 -4.105 12.138 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.691 -4.069 12.785 1.00 0.39 H new ATOM 1656 N GLU B 17 147.413 -1.581 13.131 1.00 0.40 N ATOM 1657 CA GLU B 17 147.346 -0.092 13.280 1.00 0.41 C ATOM 1658 C GLU B 17 148.737 0.541 13.140 1.00 0.38 C ATOM 1659 O GLU B 17 149.004 1.585 13.704 1.00 0.39 O ATOM 1660 CB GLU B 17 146.776 0.221 14.662 1.00 0.46 C ATOM 1661 CG GLU B 17 145.314 -0.232 14.710 1.00 0.50 C ATOM 1662 CD GLU B 17 144.728 0.049 16.095 1.00 0.55 C ATOM 1663 OE1 GLU B 17 145.482 0.452 16.965 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.536 -0.152 16.264 1.00 0.84 O ATOM 0 H GLU B 17 147.792 -2.075 13.938 1.00 0.40 H new ATOM 0 HA GLU B 17 146.712 0.321 12.496 1.00 0.41 H new ATOM 0 HB2 GLU B 17 147.354 -0.289 15.433 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.846 1.289 14.866 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.737 0.292 13.948 1.00 0.50 H new ATOM 0 HG3 GLU B 17 145.246 -1.297 14.486 1.00 0.50 H new ATOM 1671 N LYS B 18 149.624 -0.060 12.391 1.00 0.36 N ATOM 1672 CA LYS B 18 150.979 0.545 12.225 1.00 0.35 C ATOM 1673 C LYS B 18 150.796 1.931 11.583 1.00 0.31 C ATOM 1674 O LYS B 18 149.864 2.140 10.834 1.00 0.30 O ATOM 1675 CB LYS B 18 151.828 -0.344 11.306 1.00 0.35 C ATOM 1676 CG LYS B 18 152.050 -1.709 11.965 1.00 0.45 C ATOM 1677 CD LYS B 18 152.643 -2.679 10.939 1.00 1.16 C ATOM 1678 CE LYS B 18 152.933 -4.026 11.608 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.367 -5.009 10.574 1.00 2.02 N ATOM 0 H LYS B 18 149.471 -0.936 11.891 1.00 0.36 H new ATOM 0 HA LYS B 18 151.482 0.634 13.188 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.329 -0.471 10.345 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.787 0.134 11.107 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.722 -1.609 12.817 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.106 -2.098 12.347 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.948 -2.816 10.110 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.560 -2.265 10.521 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.710 -3.909 12.364 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.042 -4.390 12.120 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.564 -5.924 11.026 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 152.612 -5.127 9.869 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.228 -4.662 10.105 1.00 2.02 H new ATOM 1693 N PRO B 19 151.649 2.883 11.884 1.00 0.31 N ATOM 1694 CA PRO B 19 151.527 4.269 11.329 1.00 0.29 C ATOM 1695 C PRO B 19 151.746 4.323 9.812 1.00 0.25 C ATOM 1696 O PRO B 19 152.266 3.404 9.210 1.00 0.23 O ATOM 1697 CB PRO B 19 152.613 5.061 12.075 1.00 0.32 C ATOM 1698 CG PRO B 19 153.617 4.034 12.486 1.00 0.32 C ATOM 1699 CD PRO B 19 152.820 2.759 12.771 1.00 0.34 C ATOM 0 HA PRO B 19 150.525 4.673 11.473 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.062 5.819 11.433 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.201 5.580 12.940 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.351 3.868 11.697 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.167 4.357 13.370 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.400 1.864 12.548 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.526 2.695 13.819 1.00 0.34 H new ATOM 1707 N VAL B 20 151.336 5.400 9.198 1.00 0.24 N ATOM 1708 CA VAL B 20 151.496 5.538 7.723 1.00 0.22 C ATOM 1709 C VAL B 20 152.971 5.413 7.331 1.00 0.21 C ATOM 1710 O VAL B 20 153.324 4.709 6.405 1.00 0.22 O ATOM 1711 CB VAL B 20 150.952 6.901 7.285 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.715 8.024 7.998 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.111 7.051 5.768 1.00 0.28 C ATOM 0 H VAL B 20 150.894 6.195 9.659 1.00 0.24 H new ATOM 0 HA VAL B 20 150.940 4.743 7.226 1.00 0.22 H new ATOM 0 HB VAL B 20 149.896 6.967 7.549 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.322 8.990 7.681 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.593 7.919 9.076 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.773 7.962 7.745 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.724 8.021 5.456 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.166 6.979 5.504 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.556 6.260 5.264 1.00 0.28 H new ATOM 1723 N GLY B 21 153.834 6.111 8.025 1.00 0.22 N ATOM 1724 CA GLY B 21 155.290 6.064 7.700 1.00 0.21 C ATOM 1725 C GLY B 21 155.791 4.617 7.661 1.00 0.19 C ATOM 1726 O GLY B 21 156.939 4.364 7.354 1.00 0.19 O ATOM 0 H GLY B 21 153.589 6.716 8.809 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.468 6.542 6.736 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.852 6.628 8.444 1.00 0.21 H new ATOM 1730 N SER B 22 154.954 3.662 7.966 1.00 0.20 N ATOM 1731 CA SER B 22 155.408 2.242 7.937 1.00 0.20 C ATOM 1732 C SER B 22 155.352 1.718 6.503 1.00 0.19 C ATOM 1733 O SER B 22 156.054 0.795 6.139 1.00 0.20 O ATOM 1734 CB SER B 22 154.473 1.402 8.802 1.00 0.23 C ATOM 1735 OG SER B 22 153.323 1.049 8.045 1.00 1.24 O ATOM 0 H SER B 22 153.980 3.803 8.233 1.00 0.20 H new ATOM 0 HA SER B 22 156.429 2.179 8.314 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.986 0.504 9.146 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.180 1.962 9.690 1.00 0.23 H new ATOM 0 HG SER B 22 152.617 1.712 8.194 1.00 1.24 H new ATOM 1741 N LEU B 23 154.514 2.292 5.691 1.00 0.18 N ATOM 1742 CA LEU B 23 154.402 1.816 4.283 1.00 0.18 C ATOM 1743 C LEU B 23 155.748 1.972 3.576 1.00 0.18 C ATOM 1744 O LEU B 23 156.435 2.964 3.721 1.00 0.18 O ATOM 1745 CB LEU B 23 153.341 2.636 3.544 1.00 0.19 C ATOM 1746 CG LEU B 23 151.949 2.323 4.107 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.940 3.317 3.526 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.528 0.884 3.744 1.00 0.24 C ATOM 0 H LEU B 23 153.901 3.069 5.938 1.00 0.18 H new ATOM 0 HA LEU B 23 154.113 0.765 4.284 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.554 3.700 3.649 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.371 2.408 2.478 1.00 0.19 H new ATOM 0 HG LEU B 23 151.976 2.411 5.193 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.948 3.101 3.922 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.228 4.331 3.802 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.925 3.227 2.440 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.538 0.681 4.152 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.503 0.775 2.660 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.245 0.178 4.163 1.00 0.24 H new ATOM 1760 N ALA B 24 156.121 0.990 2.811 1.00 0.18 N ATOM 1761 CA ALA B 24 157.418 1.064 2.087 1.00 0.19 C ATOM 1762 C ALA B 24 157.377 2.201 1.063 1.00 0.19 C ATOM 1763 O ALA B 24 156.415 2.379 0.342 1.00 0.20 O ATOM 1764 CB ALA B 24 157.676 -0.259 1.370 1.00 0.21 C ATOM 0 H ALA B 24 155.584 0.137 2.654 1.00 0.18 H new ATOM 0 HA ALA B 24 158.219 1.254 2.802 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.626 -0.206 0.839 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.713 -1.067 2.100 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.873 -0.450 0.658 1.00 0.21 H new ATOM 1770 N GLY B 25 158.427 2.975 1.008 1.00 0.20 N ATOM 1771 CA GLY B 25 158.481 4.118 0.045 1.00 0.21 C ATOM 1772 C GLY B 25 158.073 5.404 0.763 1.00 0.20 C ATOM 1773 O GLY B 25 158.387 6.494 0.327 1.00 0.22 O ATOM 0 H GLY B 25 159.256 2.866 1.592 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.487 4.219 -0.361 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.814 3.931 -0.797 1.00 0.21 H new ATOM 1777 N ILE B 26 157.389 5.286 1.871 1.00 0.20 N ATOM 1778 CA ILE B 26 156.971 6.499 2.636 1.00 0.21 C ATOM 1779 C ILE B 26 157.953 6.680 3.790 1.00 0.23 C ATOM 1780 O ILE B 26 157.999 5.874 4.697 1.00 0.25 O ATOM 1781 CB ILE B 26 155.559 6.293 3.190 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.605 5.891 2.054 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.069 7.589 3.841 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.661 6.915 0.914 1.00 0.24 C ATOM 0 H ILE B 26 157.100 4.398 2.281 1.00 0.20 H new ATOM 0 HA ILE B 26 156.970 7.379 1.992 1.00 0.21 H new ATOM 0 HB ILE B 26 155.579 5.499 3.936 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.875 4.904 1.677 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.587 5.819 2.436 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.064 7.441 4.235 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.740 7.864 4.654 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.054 8.386 3.098 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.979 6.613 0.119 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.368 7.895 1.291 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.676 6.966 0.520 1.00 0.24 H new ATOM 1796 N GLY B 27 158.748 7.715 3.777 1.00 0.24 N ATOM 1797 CA GLY B 27 159.724 7.909 4.889 1.00 0.27 C ATOM 1798 C GLY B 27 159.090 8.737 6.006 1.00 0.28 C ATOM 1799 O GLY B 27 157.956 9.167 5.912 1.00 0.27 O ATOM 0 H GLY B 27 158.765 8.431 3.050 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.041 6.941 5.278 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.617 8.411 4.516 1.00 0.27 H new ATOM 1803 N GLU B 28 159.811 8.954 7.070 1.00 0.30 N ATOM 1804 CA GLU B 28 159.239 9.745 8.195 1.00 0.32 C ATOM 1805 C GLU B 28 158.794 11.116 7.684 1.00 0.32 C ATOM 1806 O GLU B 28 157.765 11.626 8.078 1.00 0.35 O ATOM 1807 CB GLU B 28 160.292 9.927 9.295 1.00 0.36 C ATOM 1808 CG GLU B 28 160.549 8.587 9.988 1.00 0.39 C ATOM 1809 CD GLU B 28 161.662 8.755 11.025 1.00 1.27 C ATOM 1810 OE1 GLU B 28 162.081 9.880 11.238 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.075 7.755 11.589 1.00 1.64 O ATOM 0 H GLU B 28 160.765 8.621 7.209 1.00 0.30 H new ATOM 0 HA GLU B 28 158.381 9.212 8.605 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.218 10.309 8.866 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.950 10.664 10.022 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.638 8.234 10.471 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.833 7.834 9.253 1.00 0.39 H new ATOM 1818 N VAL B 29 159.553 11.721 6.816 1.00 0.31 N ATOM 1819 CA VAL B 29 159.158 13.063 6.301 1.00 0.33 C ATOM 1820 C VAL B 29 157.872 12.937 5.482 1.00 0.33 C ATOM 1821 O VAL B 29 156.959 13.729 5.614 1.00 0.35 O ATOM 1822 CB VAL B 29 160.280 13.615 5.418 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.820 14.913 4.746 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.518 13.889 6.277 1.00 0.35 C ATOM 0 H VAL B 29 160.425 11.348 6.441 1.00 0.31 H new ATOM 0 HA VAL B 29 158.986 13.741 7.137 1.00 0.33 H new ATOM 0 HB VAL B 29 160.527 12.883 4.649 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.622 15.302 4.119 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.943 14.713 4.131 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.568 15.649 5.510 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.317 14.282 5.649 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.271 14.618 7.049 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.848 12.962 6.746 1.00 0.35 H new ATOM 1834 N LEU B 30 157.796 11.952 4.631 1.00 0.32 N ATOM 1835 CA LEU B 30 156.575 11.777 3.796 1.00 0.33 C ATOM 1836 C LEU B 30 155.392 11.416 4.693 1.00 0.32 C ATOM 1837 O LEU B 30 154.276 11.834 4.463 1.00 0.33 O ATOM 1838 CB LEU B 30 156.802 10.658 2.771 1.00 0.33 C ATOM 1839 CG LEU B 30 157.924 11.049 1.799 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.200 9.873 0.855 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.510 12.286 0.974 1.00 0.40 C ATOM 0 H LEU B 30 158.529 11.259 4.477 1.00 0.32 H new ATOM 0 HA LEU B 30 156.363 12.708 3.270 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.062 9.732 3.284 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.882 10.469 2.218 1.00 0.33 H new ATOM 0 HG LEU B 30 158.823 11.291 2.366 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.996 10.143 0.161 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.505 9.003 1.437 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.295 9.636 0.295 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.315 12.552 0.289 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.609 12.059 0.404 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.313 13.122 1.645 1.00 0.40 H new ATOM 1853 N GLY B 31 155.628 10.639 5.712 1.00 0.33 N ATOM 1854 CA GLY B 31 154.513 10.247 6.618 1.00 0.34 C ATOM 1855 C GLY B 31 153.892 11.498 7.246 1.00 0.35 C ATOM 1856 O GLY B 31 152.690 11.603 7.375 1.00 0.36 O ATOM 0 H GLY B 31 156.542 10.259 5.957 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.756 9.695 6.061 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.883 9.582 7.399 1.00 0.34 H new ATOM 1860 N LYS B 32 154.698 12.450 7.636 1.00 0.35 N ATOM 1861 CA LYS B 32 154.137 13.686 8.251 1.00 0.37 C ATOM 1862 C LYS B 32 153.306 14.450 7.217 1.00 0.37 C ATOM 1863 O LYS B 32 152.293 15.037 7.544 1.00 0.38 O ATOM 1864 CB LYS B 32 155.270 14.583 8.761 1.00 0.40 C ATOM 1865 CG LYS B 32 156.085 13.852 9.838 1.00 1.18 C ATOM 1866 CD LYS B 32 155.259 13.692 11.126 1.00 1.36 C ATOM 1867 CE LYS B 32 156.194 13.402 12.303 1.00 2.07 C ATOM 1868 NZ LYS B 32 157.036 14.601 12.578 1.00 2.75 N ATOM 0 H LYS B 32 155.715 12.425 7.556 1.00 0.35 H new ATOM 0 HA LYS B 32 153.501 13.403 9.090 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.920 14.866 7.933 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.857 15.505 9.171 1.00 0.40 H new ATOM 0 HG2 LYS B 32 156.388 12.872 9.470 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.998 14.408 10.051 1.00 1.18 H new ATOM 0 HD2 LYS B 32 154.687 14.600 11.318 1.00 1.36 H new ATOM 0 HD3 LYS B 32 154.540 12.881 11.011 1.00 1.36 H new ATOM 0 HE2 LYS B 32 155.612 13.143 13.188 1.00 2.07 H new ATOM 0 HE3 LYS B 32 156.827 12.545 12.075 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 157.300 14.616 13.584 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 157.896 14.563 11.994 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 156.500 15.462 12.348 1.00 2.75 H new ATOM 1882 N LYS B 33 153.717 14.468 5.976 1.00 0.35 N ATOM 1883 CA LYS B 33 152.929 15.219 4.956 1.00 0.36 C ATOM 1884 C LYS B 33 151.570 14.536 4.761 1.00 0.34 C ATOM 1885 O LYS B 33 150.536 15.173 4.796 1.00 0.36 O ATOM 1886 CB LYS B 33 153.691 15.232 3.628 1.00 0.36 C ATOM 1887 CG LYS B 33 154.952 16.092 3.766 1.00 0.39 C ATOM 1888 CD LYS B 33 155.711 16.103 2.436 1.00 0.64 C ATOM 1889 CE LYS B 33 156.974 16.961 2.568 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.596 18.392 2.740 1.00 1.56 N ATOM 0 H LYS B 33 154.554 14.001 5.628 1.00 0.35 H new ATOM 0 HA LYS B 33 152.777 16.244 5.295 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.962 14.215 3.343 1.00 0.36 H new ATOM 0 HB3 LYS B 33 153.055 15.627 2.836 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.682 17.109 4.051 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.589 15.697 4.557 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.979 15.086 2.151 1.00 0.64 H new ATOM 0 HD3 LYS B 33 155.073 16.498 1.645 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.565 16.626 3.421 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.598 16.844 1.682 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.424 18.994 2.559 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.839 18.634 2.069 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.260 18.548 3.712 1.00 1.56 H new ATOM 1904 N LEU B 34 151.559 13.243 4.577 1.00 0.32 N ATOM 1905 CA LEU B 34 150.261 12.527 4.409 1.00 0.31 C ATOM 1906 C LEU B 34 149.433 12.706 5.689 1.00 0.31 C ATOM 1907 O LEU B 34 148.230 12.872 5.654 1.00 0.32 O ATOM 1908 CB LEU B 34 150.518 11.036 4.143 1.00 0.28 C ATOM 1909 CG LEU B 34 151.267 10.854 2.814 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.699 9.388 2.679 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.358 11.230 1.626 1.00 0.33 C ATOM 0 H LEU B 34 152.390 12.653 4.536 1.00 0.32 H new ATOM 0 HA LEU B 34 149.714 12.938 3.560 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.101 10.609 4.959 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.571 10.496 4.112 1.00 0.28 H new ATOM 0 HG LEU B 34 152.141 11.506 2.807 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.231 9.251 1.738 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.355 9.124 3.509 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.818 8.746 2.694 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.905 11.095 0.693 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.476 10.590 1.626 1.00 0.33 H new ATOM 0 HD23 LEU B 34 150.050 12.271 1.719 1.00 0.33 H new ATOM 1923 N GLU B 35 150.088 12.666 6.815 1.00 0.31 N ATOM 1924 CA GLU B 35 149.357 12.829 8.110 1.00 0.34 C ATOM 1925 C GLU B 35 148.662 14.191 8.128 1.00 0.37 C ATOM 1926 O GLU B 35 147.526 14.316 8.541 1.00 0.39 O ATOM 1927 CB GLU B 35 150.352 12.739 9.272 1.00 0.35 C ATOM 1928 CG GLU B 35 149.618 12.904 10.606 1.00 0.92 C ATOM 1929 CD GLU B 35 150.618 12.761 11.755 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.750 12.396 11.485 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.233 13.014 12.884 1.00 1.35 O ATOM 0 H GLU B 35 151.095 12.528 6.899 1.00 0.31 H new ATOM 0 HA GLU B 35 148.612 12.041 8.214 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.866 11.778 9.247 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.114 13.511 9.169 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.134 13.880 10.649 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.832 12.154 10.697 1.00 0.92 H new ATOM 1938 N GLU B 36 149.334 15.209 7.674 1.00 0.39 N ATOM 1939 CA GLU B 36 148.717 16.562 7.648 1.00 0.44 C ATOM 1940 C GLU B 36 147.570 16.555 6.637 1.00 0.45 C ATOM 1941 O GLU B 36 146.697 17.399 6.654 1.00 0.49 O ATOM 1942 CB GLU B 36 149.775 17.592 7.241 1.00 0.46 C ATOM 1943 CG GLU B 36 149.161 18.994 7.209 1.00 1.11 C ATOM 1944 CD GLU B 36 150.238 20.012 6.835 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.396 19.630 6.786 1.00 1.99 O ATOM 1946 OE2 GLU B 36 149.887 21.156 6.595 1.00 1.85 O ATOM 0 H GLU B 36 150.289 15.162 7.318 1.00 0.39 H new ATOM 0 HA GLU B 36 148.332 16.824 8.633 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.607 17.567 7.945 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.179 17.341 6.260 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.345 19.029 6.487 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.736 19.239 8.182 1.00 1.11 H new ATOM 1953 N ARG B 37 147.581 15.606 5.744 1.00 0.42 N ATOM 1954 CA ARG B 37 146.509 15.541 4.709 1.00 0.45 C ATOM 1955 C ARG B 37 145.343 14.688 5.222 1.00 0.42 C ATOM 1956 O ARG B 37 144.362 14.490 4.533 1.00 0.43 O ATOM 1957 CB ARG B 37 147.090 14.930 3.426 1.00 0.45 C ATOM 1958 CG ARG B 37 148.081 15.909 2.773 1.00 0.52 C ATOM 1959 CD ARG B 37 147.331 16.985 1.976 1.00 0.86 C ATOM 1960 NE ARG B 37 148.311 17.791 1.192 1.00 1.42 N ATOM 1961 CZ ARG B 37 147.893 18.556 0.221 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.623 18.602 -0.071 1.00 2.15 N ATOM 1963 NH2 ARG B 37 148.746 19.277 -0.458 1.00 2.68 N ATOM 0 H ARG B 37 148.286 14.871 5.685 1.00 0.42 H new ATOM 0 HA ARG B 37 146.138 16.544 4.497 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.594 13.991 3.657 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.285 14.697 2.729 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.695 16.379 3.541 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.757 15.365 2.113 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.607 16.520 1.307 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.771 17.630 2.652 1.00 0.86 H new ATOM 0 HE ARG B 37 149.305 17.744 1.414 1.00 1.42 H new ATOM 0 HH11 ARG B 37 145.957 18.040 0.459 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.295 19.200 -0.830 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.739 19.242 -0.229 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.418 19.875 -1.217 1.00 2.68 H new ATOM 1977 N GLY B 38 145.420 14.218 6.447 1.00 0.41 N ATOM 1978 CA GLY B 38 144.288 13.420 7.025 1.00 0.39 C ATOM 1979 C GLY B 38 144.583 11.917 7.007 1.00 0.37 C ATOM 1980 O GLY B 38 143.735 11.121 7.359 1.00 0.49 O ATOM 0 H GLY B 38 146.216 14.352 7.070 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.103 13.742 8.050 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.378 13.618 6.459 1.00 0.39 H new ATOM 1984 N PHE B 39 145.765 11.509 6.620 1.00 0.31 N ATOM 1985 CA PHE B 39 146.097 10.047 6.605 1.00 0.28 C ATOM 1986 C PHE B 39 147.040 9.736 7.771 1.00 0.28 C ATOM 1987 O PHE B 39 148.236 9.604 7.598 1.00 0.28 O ATOM 1988 CB PHE B 39 146.798 9.716 5.294 1.00 0.27 C ATOM 1989 CG PHE B 39 145.861 9.968 4.139 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.825 11.229 3.538 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.037 8.944 3.665 1.00 0.27 C ATOM 1992 CE1 PHE B 39 144.961 11.469 2.465 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.171 9.181 2.591 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.132 10.446 1.991 1.00 0.32 C ATOM 0 H PHE B 39 146.518 12.125 6.313 1.00 0.31 H new ATOM 0 HA PHE B 39 145.186 9.456 6.700 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.695 10.325 5.186 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.118 8.674 5.295 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.465 12.019 3.903 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.068 7.969 4.128 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.933 12.444 2.002 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.534 8.389 2.225 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.463 10.632 1.164 1.00 0.32 H new ATOM 2004 N ASP B 40 146.516 9.656 8.962 1.00 0.30 N ATOM 2005 CA ASP B 40 147.394 9.398 10.142 1.00 0.31 C ATOM 2006 C ASP B 40 147.750 7.912 10.244 1.00 0.29 C ATOM 2007 O ASP B 40 148.557 7.524 11.066 1.00 0.30 O ATOM 2008 CB ASP B 40 146.666 9.828 11.418 1.00 0.35 C ATOM 2009 CG ASP B 40 145.446 8.931 11.635 1.00 0.37 C ATOM 2010 OD1 ASP B 40 145.005 8.322 10.674 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.978 8.861 12.759 1.00 0.41 O ATOM 0 H ASP B 40 145.523 9.757 9.171 1.00 0.30 H new ATOM 0 HA ASP B 40 148.314 9.970 10.020 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.338 9.760 12.274 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.355 10.870 11.339 1.00 0.35 H new ATOM 2016 N LYS B 41 147.156 7.071 9.433 1.00 0.28 N ATOM 2017 CA LYS B 41 147.467 5.603 9.507 1.00 0.28 C ATOM 2018 C LYS B 41 147.594 5.009 8.098 1.00 0.23 C ATOM 2019 O LYS B 41 147.125 5.564 7.124 1.00 0.23 O ATOM 2020 CB LYS B 41 146.371 4.900 10.315 1.00 0.33 C ATOM 2021 CG LYS B 41 146.506 5.322 11.784 1.00 0.47 C ATOM 2022 CD LYS B 41 145.431 4.646 12.634 1.00 0.74 C ATOM 2023 CE LYS B 41 145.627 5.043 14.098 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.922 4.492 14.592 1.00 1.56 N ATOM 0 H LYS B 41 146.471 7.333 8.724 1.00 0.28 H new ATOM 0 HA LYS B 41 148.423 5.454 10.009 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.386 5.169 9.932 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.465 3.818 10.221 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.495 5.054 12.156 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.417 6.405 11.867 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.440 4.944 12.293 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.493 3.563 12.527 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.620 6.129 14.196 1.00 0.71 H new ATOM 0 HE3 LYS B 41 144.803 4.663 14.703 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.898 4.425 15.630 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.074 3.546 14.188 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 147.699 5.120 14.304 1.00 1.56 H new ATOM 2038 N ALA B 42 148.270 3.894 7.993 1.00 0.21 N ATOM 2039 CA ALA B 42 148.496 3.253 6.661 1.00 0.20 C ATOM 2040 C ALA B 42 147.194 2.744 6.029 1.00 0.18 C ATOM 2041 O ALA B 42 147.007 2.846 4.833 1.00 0.18 O ATOM 2042 CB ALA B 42 149.455 2.074 6.830 1.00 0.21 C ATOM 0 H ALA B 42 148.680 3.394 8.782 1.00 0.21 H new ATOM 0 HA ALA B 42 148.915 4.011 5.999 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.625 1.601 5.863 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.404 2.431 7.231 1.00 0.21 H new ATOM 0 HB3 ALA B 42 149.021 1.348 7.517 1.00 0.21 H new ATOM 2048 N TYR B 43 146.310 2.158 6.791 1.00 0.18 N ATOM 2049 CA TYR B 43 145.065 1.612 6.174 1.00 0.18 C ATOM 2050 C TYR B 43 144.258 2.732 5.507 1.00 0.17 C ATOM 2051 O TYR B 43 143.425 2.479 4.660 1.00 0.17 O ATOM 2052 CB TYR B 43 144.220 0.870 7.220 1.00 0.20 C ATOM 2053 CG TYR B 43 143.469 1.832 8.108 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.307 2.448 7.635 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.912 2.080 9.412 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.588 3.313 8.461 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.193 2.950 10.238 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.029 3.566 9.764 1.00 0.27 C ATOM 2059 OH TYR B 43 141.315 4.421 10.579 1.00 0.32 O ATOM 0 H TYR B 43 146.393 2.034 7.800 1.00 0.18 H new ATOM 0 HA TYR B 43 145.349 0.895 5.403 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.513 0.210 6.717 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.866 0.239 7.830 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.965 2.254 6.629 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.807 1.601 9.780 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.690 3.788 8.094 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.536 3.147 11.243 1.00 0.28 H new ATOM 0 HH TYR B 43 141.756 4.486 11.452 1.00 0.32 H new ATOM 2069 N VAL B 44 144.508 3.964 5.856 1.00 0.18 N ATOM 2070 CA VAL B 44 143.759 5.079 5.203 1.00 0.18 C ATOM 2071 C VAL B 44 144.405 5.346 3.833 1.00 0.17 C ATOM 2072 O VAL B 44 143.761 5.727 2.871 1.00 0.17 O ATOM 2073 CB VAL B 44 143.833 6.342 6.075 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.866 7.408 5.531 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.450 5.997 7.521 1.00 0.24 C ATOM 0 H VAL B 44 145.192 4.247 6.558 1.00 0.18 H new ATOM 0 HA VAL B 44 142.710 4.810 5.080 1.00 0.18 H new ATOM 0 HB VAL B 44 144.851 6.731 6.052 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.922 8.301 6.153 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.141 7.661 4.507 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.848 7.018 5.547 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.504 6.895 8.136 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.434 5.602 7.544 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.139 5.248 7.911 1.00 0.24 H new ATOM 2085 N VAL B 45 145.689 5.111 3.758 1.00 0.17 N ATOM 2086 CA VAL B 45 146.426 5.314 2.477 1.00 0.17 C ATOM 2087 C VAL B 45 146.132 4.126 1.559 1.00 0.15 C ATOM 2088 O VAL B 45 145.970 4.280 0.365 1.00 0.15 O ATOM 2089 CB VAL B 45 147.932 5.397 2.740 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.686 5.403 1.405 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.249 6.682 3.508 1.00 0.20 C ATOM 0 H VAL B 45 146.262 4.785 4.536 1.00 0.17 H new ATOM 0 HA VAL B 45 146.104 6.245 2.010 1.00 0.17 H new ATOM 0 HB VAL B 45 148.243 4.535 3.330 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.758 5.462 1.593 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.464 4.487 0.857 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.373 6.264 0.814 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.321 6.739 3.694 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.936 7.544 2.919 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.715 6.679 4.458 1.00 0.20 H new ATOM 2101 N LEU B 46 146.030 2.947 2.111 1.00 0.17 N ATOM 2102 CA LEU B 46 145.711 1.762 1.271 1.00 0.17 C ATOM 2103 C LEU B 46 144.356 2.016 0.614 1.00 0.17 C ATOM 2104 O LEU B 46 144.115 1.639 -0.515 1.00 0.17 O ATOM 2105 CB LEU B 46 145.651 0.501 2.152 1.00 0.22 C ATOM 2106 CG LEU B 46 145.090 -0.688 1.355 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.920 -0.911 0.089 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.143 -1.948 2.219 1.00 0.35 C ATOM 0 H LEU B 46 146.154 2.756 3.105 1.00 0.17 H new ATOM 0 HA LEU B 46 146.477 1.607 0.511 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.648 0.261 2.521 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.025 0.689 3.024 1.00 0.22 H new ATOM 0 HG LEU B 46 144.059 -0.473 1.075 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.514 -1.755 -0.468 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.884 -0.016 -0.532 1.00 0.40 H new ATOM 0 HD13 LEU B 46 146.954 -1.121 0.364 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.746 -2.792 1.656 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.176 -2.153 2.500 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.545 -1.798 3.118 1.00 0.35 H new ATOM 2120 N GLY B 47 143.473 2.662 1.324 1.00 0.17 N ATOM 2121 CA GLY B 47 142.131 2.961 0.761 1.00 0.18 C ATOM 2122 C GLY B 47 142.279 3.816 -0.499 1.00 0.17 C ATOM 2123 O GLY B 47 141.590 3.617 -1.479 1.00 0.18 O ATOM 0 H GLY B 47 143.626 2.997 2.275 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.611 2.033 0.523 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.525 3.486 1.499 1.00 0.18 H new ATOM 2127 N GLN B 48 143.179 4.767 -0.490 1.00 0.17 N ATOM 2128 CA GLN B 48 143.366 5.623 -1.701 1.00 0.18 C ATOM 2129 C GLN B 48 143.764 4.732 -2.885 1.00 0.17 C ATOM 2130 O GLN B 48 143.258 4.878 -3.980 1.00 0.18 O ATOM 2131 CB GLN B 48 144.471 6.651 -1.422 1.00 0.18 C ATOM 2132 CG GLN B 48 144.628 7.602 -2.614 1.00 0.22 C ATOM 2133 CD GLN B 48 143.375 8.469 -2.749 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.879 8.996 -1.773 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.842 8.642 -3.926 1.00 1.09 N ATOM 0 H GLN B 48 143.789 4.987 0.298 1.00 0.17 H new ATOM 0 HA GLN B 48 142.440 6.147 -1.940 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.229 7.220 -0.524 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.414 6.138 -1.231 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.506 8.233 -2.475 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.787 7.031 -3.529 1.00 0.22 H new ATOM 0 HE21 GLN B 48 143.259 8.199 -4.745 1.00 1.09 H new ATOM 0 HE22 GLN B 48 142.008 9.220 -4.028 1.00 1.09 H new ATOM 2144 N PHE B 49 144.653 3.800 -2.669 1.00 0.17 N ATOM 2145 CA PHE B 49 145.071 2.885 -3.775 1.00 0.17 C ATOM 2146 C PHE B 49 143.845 2.122 -4.279 1.00 0.18 C ATOM 2147 O PHE B 49 143.658 1.933 -5.464 1.00 0.19 O ATOM 2148 CB PHE B 49 146.113 1.895 -3.232 1.00 0.18 C ATOM 2149 CG PHE B 49 146.558 0.940 -4.317 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.488 1.352 -5.278 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.056 -0.369 -4.347 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.915 0.460 -6.269 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.482 -1.260 -5.340 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.411 -0.847 -6.300 1.00 0.27 C ATOM 0 H PHE B 49 145.110 3.631 -1.773 1.00 0.17 H new ATOM 0 HA PHE B 49 145.504 3.456 -4.596 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.974 2.441 -2.845 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.690 1.335 -2.398 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.877 2.359 -5.255 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.341 -0.690 -3.604 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.633 0.779 -7.010 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.093 -2.267 -5.364 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.740 -1.535 -7.065 1.00 0.27 H new ATOM 2164 N LEU B 50 143.018 1.688 -3.385 1.00 0.18 N ATOM 2165 CA LEU B 50 141.803 0.937 -3.802 1.00 0.20 C ATOM 2166 C LEU B 50 140.828 1.904 -4.496 1.00 0.21 C ATOM 2167 O LEU B 50 140.182 1.560 -5.467 1.00 0.23 O ATOM 2168 CB LEU B 50 141.148 0.317 -2.566 1.00 0.22 C ATOM 2169 CG LEU B 50 142.133 -0.639 -1.867 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.526 -1.102 -0.541 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.421 -1.862 -2.752 1.00 0.27 C ATOM 0 H LEU B 50 143.126 1.818 -2.379 1.00 0.18 H new ATOM 0 HA LEU B 50 142.071 0.142 -4.498 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.840 1.102 -1.876 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.247 -0.224 -2.855 1.00 0.22 H new ATOM 0 HG LEU B 50 143.070 -0.112 -1.687 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.218 -1.779 -0.041 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.341 -0.237 0.096 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.586 -1.620 -0.732 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.119 -2.525 -2.241 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.491 -2.396 -2.949 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.858 -1.534 -3.695 1.00 0.27 H new ATOM 2183 N VAL B 51 140.701 3.101 -3.988 1.00 0.21 N ATOM 2184 CA VAL B 51 139.753 4.089 -4.593 1.00 0.23 C ATOM 2185 C VAL B 51 140.225 4.490 -5.999 1.00 0.23 C ATOM 2186 O VAL B 51 139.448 4.943 -6.815 1.00 0.25 O ATOM 2187 CB VAL B 51 139.672 5.337 -3.695 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.995 6.489 -4.452 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.854 5.010 -2.443 1.00 0.27 C ATOM 0 H VAL B 51 141.215 3.441 -3.175 1.00 0.21 H new ATOM 0 HA VAL B 51 138.767 3.632 -4.673 1.00 0.23 H new ATOM 0 HB VAL B 51 140.681 5.637 -3.412 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.943 7.367 -3.808 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.574 6.728 -5.344 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.987 6.191 -4.742 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.796 5.892 -1.806 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.849 4.706 -2.734 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.335 4.199 -1.896 1.00 0.27 H new ATOM 2199 N LEU B 52 141.488 4.336 -6.283 1.00 0.22 N ATOM 2200 CA LEU B 52 142.001 4.722 -7.636 1.00 0.23 C ATOM 2201 C LEU B 52 141.952 3.513 -8.571 1.00 0.23 C ATOM 2202 O LEU B 52 142.575 3.503 -9.615 1.00 0.24 O ATOM 2203 CB LEU B 52 143.436 5.243 -7.519 1.00 0.24 C ATOM 2204 CG LEU B 52 143.443 6.578 -6.752 1.00 0.25 C ATOM 2205 CD1 LEU B 52 144.890 7.019 -6.511 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.699 7.670 -7.554 1.00 0.27 C ATOM 0 H LEU B 52 142.188 3.962 -5.643 1.00 0.22 H new ATOM 0 HA LEU B 52 141.373 5.512 -8.047 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.057 4.512 -7.002 1.00 0.24 H new ATOM 0 HB3 LEU B 52 143.865 5.381 -8.511 1.00 0.24 H new ATOM 0 HG LEU B 52 142.934 6.437 -5.798 1.00 0.25 H new ATOM 0 HD11 LEU B 52 144.897 7.964 -5.968 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.409 6.260 -5.925 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.396 7.147 -7.468 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.715 8.606 -6.996 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.191 7.813 -8.516 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.666 7.362 -7.717 1.00 0.27 H new ATOM 2218 N LYS B 53 141.207 2.501 -8.224 1.00 0.23 N ATOM 2219 CA LYS B 53 141.110 1.310 -9.113 1.00 0.24 C ATOM 2220 C LYS B 53 142.505 0.860 -9.553 1.00 0.24 C ATOM 2221 O LYS B 53 142.709 0.474 -10.685 1.00 0.30 O ATOM 2222 CB LYS B 53 140.257 1.651 -10.336 1.00 0.29 C ATOM 2223 CG LYS B 53 138.798 1.814 -9.893 1.00 0.39 C ATOM 2224 CD LYS B 53 137.899 2.106 -11.106 1.00 0.48 C ATOM 2225 CE LYS B 53 137.937 3.599 -11.448 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.492 4.392 -10.265 1.00 1.71 N ATOM 0 H LYS B 53 140.661 2.447 -7.364 1.00 0.23 H new ATOM 0 HA LYS B 53 140.641 0.494 -8.564 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.615 2.570 -10.801 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.338 0.862 -11.084 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.460 0.907 -9.392 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.719 2.626 -9.170 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.232 1.521 -11.963 1.00 0.48 H new ATOM 0 HD3 LYS B 53 136.875 1.801 -10.890 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.947 3.891 -11.736 1.00 0.92 H new ATOM 0 HE3 LYS B 53 137.290 3.804 -12.301 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 137.145 5.321 -10.580 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.728 3.885 -9.775 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 138.293 4.524 -9.614 1.00 1.71 H new ATOM 2240 N LYS B 54 143.461 0.899 -8.654 1.00 0.23 N ATOM 2241 CA LYS B 54 144.855 0.462 -8.972 1.00 0.26 C ATOM 2242 C LYS B 54 145.414 1.292 -10.130 1.00 0.28 C ATOM 2243 O LYS B 54 146.373 0.904 -10.768 1.00 0.34 O ATOM 2244 CB LYS B 54 144.842 -1.022 -9.360 1.00 0.36 C ATOM 2245 CG LYS B 54 144.232 -1.837 -8.217 1.00 0.67 C ATOM 2246 CD LYS B 54 144.215 -3.319 -8.596 1.00 0.83 C ATOM 2247 CE LYS B 54 143.415 -4.101 -7.551 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.002 -3.873 -6.202 1.00 2.25 N ATOM 0 H LYS B 54 143.329 1.222 -7.696 1.00 0.23 H new ATOM 0 HA LYS B 54 145.487 0.608 -8.096 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.265 -1.166 -10.273 1.00 0.36 H new ATOM 0 HB3 LYS B 54 145.856 -1.365 -9.566 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.810 -1.691 -7.304 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.219 -1.492 -8.011 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.770 -3.448 -9.583 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.234 -3.703 -8.653 1.00 0.83 H new ATOM 0 HE2 LYS B 54 142.372 -3.784 -7.564 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.427 -5.165 -7.789 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 143.951 -4.752 -5.648 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 144.996 -3.583 -6.300 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 143.470 -3.124 -5.714 1.00 2.25 H new ATOM 2262 N ASP B 55 144.854 2.434 -10.404 1.00 0.30 N ATOM 2263 CA ASP B 55 145.402 3.264 -11.512 1.00 0.39 C ATOM 2264 C ASP B 55 146.795 3.764 -11.094 1.00 0.38 C ATOM 2265 O ASP B 55 146.932 4.613 -10.234 1.00 0.37 O ATOM 2266 CB ASP B 55 144.459 4.440 -11.763 1.00 0.47 C ATOM 2267 CG ASP B 55 143.216 3.948 -12.507 1.00 1.18 C ATOM 2268 OD1 ASP B 55 143.359 3.081 -13.352 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.140 4.444 -12.214 1.00 1.54 O ATOM 0 H ASP B 55 144.049 2.827 -9.916 1.00 0.30 H new ATOM 0 HA ASP B 55 145.488 2.684 -12.431 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.172 4.898 -10.816 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.966 5.208 -12.348 1.00 0.47 H new ATOM 2274 N GLU B 56 147.828 3.210 -11.675 1.00 0.39 N ATOM 2275 CA GLU B 56 149.226 3.595 -11.305 1.00 0.38 C ATOM 2276 C GLU B 56 149.527 5.071 -11.600 1.00 0.38 C ATOM 2277 O GLU B 56 150.181 5.739 -10.825 1.00 0.38 O ATOM 2278 CB GLU B 56 150.197 2.722 -12.105 1.00 0.40 C ATOM 2279 CG GLU B 56 151.643 3.048 -11.712 1.00 0.41 C ATOM 2280 CD GLU B 56 152.596 2.106 -12.450 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.116 1.163 -13.055 1.00 0.88 O ATOM 2282 OE2 GLU B 56 153.792 2.346 -12.397 1.00 0.85 O ATOM 0 H GLU B 56 147.762 2.497 -12.401 1.00 0.39 H new ATOM 0 HA GLU B 56 149.342 3.445 -10.232 1.00 0.38 H new ATOM 0 HB2 GLU B 56 149.990 1.668 -11.918 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.055 2.890 -13.173 1.00 0.40 H new ATOM 0 HG2 GLU B 56 151.874 4.084 -11.960 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.771 2.942 -10.635 1.00 0.41 H new ATOM 2289 N ASP B 57 149.082 5.582 -12.713 1.00 0.40 N ATOM 2290 CA ASP B 57 149.381 7.008 -13.038 1.00 0.42 C ATOM 2291 C ASP B 57 148.621 7.917 -12.082 1.00 0.41 C ATOM 2292 O ASP B 57 149.141 8.905 -11.600 1.00 0.41 O ATOM 2293 CB ASP B 57 148.946 7.299 -14.478 1.00 0.45 C ATOM 2294 CG ASP B 57 149.877 6.571 -15.449 1.00 0.47 C ATOM 2295 OD1 ASP B 57 150.993 6.271 -15.056 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.458 6.324 -16.568 1.00 0.74 O ATOM 0 H ASP B 57 148.529 5.081 -13.408 1.00 0.40 H new ATOM 0 HA ASP B 57 150.451 7.191 -12.936 1.00 0.42 H new ATOM 0 HB2 ASP B 57 147.917 6.974 -14.631 1.00 0.45 H new ATOM 0 HB3 ASP B 57 148.973 8.372 -14.667 1.00 0.45 H new ATOM 2301 N LEU B 58 147.414 7.576 -11.777 1.00 0.40 N ATOM 2302 CA LEU B 58 146.647 8.415 -10.822 1.00 0.40 C ATOM 2303 C LEU B 58 147.254 8.248 -9.432 1.00 0.38 C ATOM 2304 O LEU B 58 147.389 9.193 -8.681 1.00 0.38 O ATOM 2305 CB LEU B 58 145.179 7.992 -10.789 1.00 0.41 C ATOM 2306 CG LEU B 58 144.489 8.357 -12.110 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.074 7.769 -12.110 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.419 9.891 -12.276 1.00 0.55 C ATOM 0 H LEU B 58 146.922 6.760 -12.141 1.00 0.40 H new ATOM 0 HA LEU B 58 146.698 9.457 -11.139 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.107 6.918 -10.618 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.671 8.482 -9.958 1.00 0.41 H new ATOM 0 HG LEU B 58 145.062 7.947 -12.942 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.575 8.023 -13.045 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.130 6.685 -12.011 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.509 8.180 -11.274 1.00 0.45 H new ATOM 0 HD21 LEU B 58 143.927 10.133 -13.218 1.00 0.55 H new ATOM 0 HD22 LEU B 58 143.853 10.321 -11.450 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.428 10.303 -12.278 1.00 0.55 H new ATOM 2320 N PHE B 59 147.634 7.047 -9.087 1.00 0.37 N ATOM 2321 CA PHE B 59 148.246 6.816 -7.751 1.00 0.35 C ATOM 2322 C PHE B 59 149.559 7.593 -7.640 1.00 0.36 C ATOM 2323 O PHE B 59 149.799 8.293 -6.676 1.00 0.35 O ATOM 2324 CB PHE B 59 148.516 5.323 -7.558 1.00 0.35 C ATOM 2325 CG PHE B 59 149.124 5.102 -6.196 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.292 4.912 -5.087 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.515 5.084 -6.039 1.00 0.37 C ATOM 2328 CE1 PHE B 59 148.849 4.706 -3.821 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.073 4.878 -4.771 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.240 4.689 -3.663 1.00 0.37 C ATOM 0 H PHE B 59 147.546 6.217 -9.674 1.00 0.37 H new ATOM 0 HA PHE B 59 147.558 7.161 -6.979 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.588 4.758 -7.652 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.190 4.960 -8.334 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.219 4.924 -5.209 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.157 5.229 -6.895 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.206 4.560 -2.965 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.146 4.865 -4.649 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.670 4.530 -2.685 1.00 0.37 H new ATOM 2340 N ARG B 60 150.422 7.456 -8.614 1.00 0.38 N ATOM 2341 CA ARG B 60 151.727 8.169 -8.554 1.00 0.39 C ATOM 2342 C ARG B 60 151.506 9.682 -8.542 1.00 0.40 C ATOM 2343 O ARG B 60 152.111 10.394 -7.768 1.00 0.39 O ATOM 2344 CB ARG B 60 152.593 7.786 -9.759 1.00 0.43 C ATOM 2345 CG ARG B 60 153.054 6.332 -9.617 1.00 0.44 C ATOM 2346 CD ARG B 60 153.989 5.966 -10.773 1.00 0.51 C ATOM 2347 NE ARG B 60 153.275 6.128 -12.070 1.00 1.31 N ATOM 2348 CZ ARG B 60 153.951 6.154 -13.186 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.250 6.017 -13.167 1.00 1.15 N ATOM 2350 NH2 ARG B 60 153.329 6.312 -14.324 1.00 2.64 N ATOM 0 H ARG B 60 150.277 6.882 -9.445 1.00 0.38 H new ATOM 0 HA ARG B 60 152.238 7.877 -7.637 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.026 7.910 -10.682 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.457 8.448 -9.824 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.568 6.196 -8.665 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.191 5.667 -9.612 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.874 6.602 -10.753 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.333 4.938 -10.663 1.00 0.51 H new ATOM 0 HE ARG B 60 152.259 6.218 -12.086 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.736 5.890 -12.280 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.778 6.037 -14.040 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.314 6.415 -14.341 1.00 2.64 H new ATOM 0 HH22 ARG B 60 153.858 6.332 -15.196 1.00 2.64 H new ATOM 2364 N GLU B 61 150.641 10.185 -9.384 1.00 0.42 N ATOM 2365 CA GLU B 61 150.391 11.652 -9.396 1.00 0.44 C ATOM 2366 C GLU B 61 149.760 12.062 -8.063 1.00 0.42 C ATOM 2367 O GLU B 61 150.060 13.106 -7.521 1.00 0.43 O ATOM 2368 CB GLU B 61 149.447 12.002 -10.549 1.00 0.48 C ATOM 2369 CG GLU B 61 149.334 13.525 -10.678 1.00 1.30 C ATOM 2370 CD GLU B 61 148.535 13.874 -11.937 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.111 12.956 -12.618 1.00 2.38 O ATOM 2372 OE2 GLU B 61 148.355 15.053 -12.193 1.00 2.33 O ATOM 0 H GLU B 61 150.101 9.645 -10.060 1.00 0.42 H new ATOM 0 HA GLU B 61 151.331 12.186 -9.533 1.00 0.44 H new ATOM 0 HB2 GLU B 61 149.820 11.575 -11.480 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.463 11.568 -10.371 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.844 13.940 -9.797 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.327 13.971 -10.730 1.00 1.30 H new ATOM 2379 N TRP B 62 148.889 11.252 -7.530 1.00 0.40 N ATOM 2380 CA TRP B 62 148.242 11.604 -6.231 1.00 0.39 C ATOM 2381 C TRP B 62 149.282 11.682 -5.108 1.00 0.36 C ATOM 2382 O TRP B 62 149.319 12.624 -4.344 1.00 0.36 O ATOM 2383 CB TRP B 62 147.210 10.526 -5.863 1.00 0.38 C ATOM 2384 CG TRP B 62 146.739 10.746 -4.453 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.786 11.629 -4.083 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.206 10.108 -3.226 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.633 11.574 -2.709 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.486 10.650 -2.133 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.172 9.120 -2.955 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.719 10.228 -0.820 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.404 8.694 -1.636 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.679 9.247 -0.573 1.00 0.32 C ATOM 0 H TRP B 62 148.596 10.363 -7.935 1.00 0.40 H new ATOM 0 HA TRP B 62 147.759 12.575 -6.343 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.365 10.566 -6.551 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.653 9.535 -5.960 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.233 12.273 -4.751 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.971 12.146 -2.184 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.738 8.687 -3.766 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.159 10.659 -0.003 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.147 7.935 -1.441 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.863 8.914 0.438 1.00 0.32 H new ATOM 2403 N LEU B 63 150.108 10.684 -4.992 1.00 0.34 N ATOM 2404 CA LEU B 63 151.127 10.675 -3.908 1.00 0.32 C ATOM 2405 C LEU B 63 152.127 11.810 -4.123 1.00 0.33 C ATOM 2406 O LEU B 63 152.438 12.560 -3.220 1.00 0.32 O ATOM 2407 CB LEU B 63 151.844 9.319 -3.942 1.00 0.31 C ATOM 2408 CG LEU B 63 152.914 9.233 -2.847 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.261 9.272 -1.458 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.683 7.917 -3.016 1.00 0.32 C ATOM 0 H LEU B 63 150.122 9.869 -5.605 1.00 0.34 H new ATOM 0 HA LEU B 63 150.652 10.822 -2.938 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.118 8.517 -3.809 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.306 9.173 -4.918 1.00 0.31 H new ATOM 0 HG LEU B 63 153.593 10.081 -2.935 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.033 9.210 -0.691 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.708 10.204 -1.342 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.577 8.429 -1.354 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.448 7.841 -2.244 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.993 7.078 -2.926 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.155 7.895 -3.998 1.00 0.32 H new ATOM 2422 N LYS B 64 152.621 11.949 -5.317 1.00 0.35 N ATOM 2423 CA LYS B 64 153.591 13.039 -5.604 1.00 0.37 C ATOM 2424 C LYS B 64 152.909 14.392 -5.400 1.00 0.38 C ATOM 2425 O LYS B 64 153.451 15.296 -4.794 1.00 0.38 O ATOM 2426 CB LYS B 64 154.085 12.915 -7.046 1.00 0.41 C ATOM 2427 CG LYS B 64 155.094 14.026 -7.350 1.00 0.43 C ATOM 2428 CD LYS B 64 155.603 13.861 -8.780 1.00 0.68 C ATOM 2429 CE LYS B 64 156.612 14.965 -9.097 1.00 1.24 C ATOM 2430 NZ LYS B 64 157.232 14.701 -10.425 1.00 2.10 N ATOM 0 H LYS B 64 152.394 11.352 -6.112 1.00 0.35 H new ATOM 0 HA LYS B 64 154.442 12.961 -4.927 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.548 11.940 -7.198 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.243 12.979 -7.735 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.626 15.003 -7.228 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.926 13.981 -6.647 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.069 12.883 -8.900 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.769 13.905 -9.481 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.116 15.936 -9.101 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.381 15.003 -8.325 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 157.919 15.451 -10.643 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.718 13.782 -10.405 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.493 14.686 -11.156 1.00 2.10 H new ATOM 2444 N ASP B 65 151.715 14.526 -5.909 1.00 0.41 N ATOM 2445 CA ASP B 65 150.963 15.802 -5.768 1.00 0.44 C ATOM 2446 C ASP B 65 150.567 16.005 -4.306 1.00 0.43 C ATOM 2447 O ASP B 65 150.482 17.116 -3.823 1.00 0.45 O ATOM 2448 CB ASP B 65 149.701 15.743 -6.632 1.00 0.48 C ATOM 2449 CG ASP B 65 149.014 17.109 -6.628 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.037 17.759 -5.595 1.00 1.90 O ATOM 2451 OD2 ASP B 65 148.482 17.485 -7.659 1.00 1.41 O ATOM 0 H ASP B 65 151.223 13.795 -6.423 1.00 0.41 H new ATOM 0 HA ASP B 65 151.592 16.632 -6.091 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.959 15.457 -7.652 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.021 14.981 -6.250 1.00 0.48 H new ATOM 2456 N THR B 66 150.288 14.939 -3.611 1.00 0.39 N ATOM 2457 CA THR B 66 149.854 15.058 -2.192 1.00 0.39 C ATOM 2458 C THR B 66 151.052 15.273 -1.261 1.00 0.38 C ATOM 2459 O THR B 66 150.918 15.930 -0.247 1.00 0.40 O ATOM 2460 CB THR B 66 149.104 13.783 -1.788 1.00 0.37 C ATOM 2461 OG1 THR B 66 147.999 13.596 -2.661 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.590 13.910 -0.353 1.00 0.38 C ATOM 0 H THR B 66 150.342 13.985 -3.967 1.00 0.39 H new ATOM 0 HA THR B 66 149.198 15.924 -2.100 1.00 0.39 H new ATOM 0 HB THR B 66 149.783 12.933 -1.853 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.249 12.975 -3.377 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.059 13.000 -0.075 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.432 14.060 0.323 1.00 0.38 H new ATOM 0 HG23 THR B 66 147.913 14.761 -0.283 1.00 0.38 H new ATOM 2470 N CYS B 67 152.208 14.707 -1.544 1.00 0.36 N ATOM 2471 CA CYS B 67 153.377 14.869 -0.611 1.00 0.37 C ATOM 2472 C CYS B 67 154.650 15.301 -1.345 1.00 0.37 C ATOM 2473 O CYS B 67 155.506 15.948 -0.775 1.00 0.39 O ATOM 2474 CB CYS B 67 153.641 13.532 0.081 1.00 0.36 C ATOM 2475 SG CYS B 67 154.159 12.312 -1.151 1.00 0.36 S ATOM 0 H CYS B 67 152.391 14.144 -2.375 1.00 0.36 H new ATOM 0 HA CYS B 67 153.125 15.648 0.108 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.414 13.649 0.841 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.741 13.190 0.592 1.00 0.36 H new ATOM 0 HG CYS B 67 153.308 12.300 -2.134 1.00 0.36 H new ATOM 2481 N GLY B 68 154.797 14.937 -2.594 1.00 0.35 N ATOM 2482 CA GLY B 68 156.033 15.313 -3.356 1.00 0.36 C ATOM 2483 C GLY B 68 156.948 14.088 -3.469 1.00 0.34 C ATOM 2484 O GLY B 68 158.107 14.201 -3.813 1.00 0.33 O ATOM 0 H GLY B 68 154.114 14.394 -3.122 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.766 15.675 -4.349 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.554 16.125 -2.849 1.00 0.36 H new ATOM 2488 N ALA B 69 156.440 12.918 -3.181 1.00 0.32 N ATOM 2489 CA ALA B 69 157.289 11.693 -3.275 1.00 0.31 C ATOM 2490 C ALA B 69 157.996 11.668 -4.629 1.00 0.31 C ATOM 2491 O ALA B 69 157.523 12.231 -5.597 1.00 0.32 O ATOM 2492 CB ALA B 69 156.409 10.449 -3.139 1.00 0.31 C ATOM 0 H ALA B 69 155.477 12.758 -2.886 1.00 0.32 H new ATOM 0 HA ALA B 69 158.030 11.703 -2.476 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.029 9.555 -3.208 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.902 10.466 -2.174 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.668 10.439 -3.938 1.00 0.31 H new ATOM 2498 N ASN B 70 159.138 11.033 -4.708 1.00 0.29 N ATOM 2499 CA ASN B 70 159.885 10.989 -6.000 1.00 0.29 C ATOM 2500 C ASN B 70 159.471 9.755 -6.803 1.00 0.29 C ATOM 2501 O ASN B 70 158.740 8.908 -6.334 1.00 0.29 O ATOM 2502 CB ASN B 70 161.388 10.921 -5.720 1.00 0.29 C ATOM 2503 CG ASN B 70 161.868 12.265 -5.172 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.649 13.295 -5.777 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.518 12.298 -4.042 1.00 1.78 N ATOM 0 H ASN B 70 159.585 10.543 -3.933 1.00 0.29 H new ATOM 0 HA ASN B 70 159.654 11.888 -6.572 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.599 10.128 -5.003 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.928 10.676 -6.635 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.843 13.189 -3.666 1.00 1.78 H new ATOM 0 HD22 ASN B 70 162.702 11.433 -3.534 1.00 1.78 H new ATOM 2512 N ALA B 71 159.932 9.663 -8.020 1.00 0.31 N ATOM 2513 CA ALA B 71 159.576 8.502 -8.883 1.00 0.33 C ATOM 2514 C ALA B 71 160.043 7.193 -8.242 1.00 0.31 C ATOM 2515 O ALA B 71 159.380 6.182 -8.333 1.00 0.31 O ATOM 2516 CB ALA B 71 160.245 8.665 -10.248 1.00 0.38 C ATOM 0 H ALA B 71 160.546 10.350 -8.457 1.00 0.31 H new ATOM 0 HA ALA B 71 158.493 8.468 -8.999 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.987 7.817 -10.883 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.899 9.587 -10.715 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.327 8.707 -10.120 1.00 0.38 H new ATOM 2522 N LYS B 72 161.179 7.192 -7.602 1.00 0.29 N ATOM 2523 CA LYS B 72 161.665 5.926 -6.982 1.00 0.28 C ATOM 2524 C LYS B 72 160.787 5.569 -5.784 1.00 0.26 C ATOM 2525 O LYS B 72 160.465 4.420 -5.554 1.00 0.26 O ATOM 2526 CB LYS B 72 163.113 6.117 -6.521 1.00 0.28 C ATOM 2527 CG LYS B 72 163.664 4.795 -5.980 1.00 1.18 C ATOM 2528 CD LYS B 72 165.111 4.998 -5.524 1.00 1.28 C ATOM 2529 CE LYS B 72 165.668 3.680 -4.988 1.00 2.10 C ATOM 2530 NZ LYS B 72 165.699 2.676 -6.089 1.00 2.57 N ATOM 0 H LYS B 72 161.787 8.002 -7.482 1.00 0.29 H new ATOM 0 HA LYS B 72 161.616 5.118 -7.712 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.726 6.464 -7.353 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.160 6.884 -5.748 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.054 4.447 -5.147 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.618 4.026 -6.751 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.720 5.350 -6.357 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.155 5.765 -4.751 1.00 1.28 H new ATOM 0 HE2 LYS B 72 166.671 3.831 -4.589 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.050 3.318 -4.167 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 166.365 1.915 -5.846 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.748 2.275 -6.220 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 166.005 3.136 -6.970 1.00 2.57 H new ATOM 2544 N GLN B 73 160.412 6.548 -5.010 1.00 0.25 N ATOM 2545 CA GLN B 73 159.573 6.284 -3.811 1.00 0.24 C ATOM 2546 C GLN B 73 158.179 5.813 -4.219 1.00 0.25 C ATOM 2547 O GLN B 73 157.601 4.946 -3.594 1.00 0.25 O ATOM 2548 CB GLN B 73 159.454 7.564 -2.984 1.00 0.26 C ATOM 2549 CG GLN B 73 160.838 7.974 -2.477 1.00 0.28 C ATOM 2550 CD GLN B 73 161.324 6.960 -1.440 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.559 6.507 -0.612 1.00 2.12 O ATOM 2552 NE2 GLN B 73 162.571 6.576 -1.454 1.00 1.89 N ATOM 0 H GLN B 73 160.653 7.528 -5.159 1.00 0.25 H new ATOM 0 HA GLN B 73 160.046 5.500 -3.220 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.026 8.363 -3.590 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.779 7.405 -2.143 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.541 8.025 -3.308 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.795 8.969 -2.035 1.00 0.28 H new ATOM 0 HE21 GLN B 73 163.214 6.956 -2.149 1.00 1.89 H new ATOM 0 HE22 GLN B 73 162.903 5.896 -0.770 1.00 1.89 H new ATOM 2561 N SER B 74 157.622 6.388 -5.248 1.00 0.26 N ATOM 2562 CA SER B 74 156.260 5.982 -5.674 1.00 0.27 C ATOM 2563 C SER B 74 156.276 4.540 -6.181 1.00 0.26 C ATOM 2564 O SER B 74 155.355 3.783 -5.942 1.00 0.26 O ATOM 2565 CB SER B 74 155.784 6.911 -6.790 1.00 0.30 C ATOM 2566 OG SER B 74 156.250 6.419 -8.040 1.00 1.36 O ATOM 0 H SER B 74 158.053 7.121 -5.811 1.00 0.26 H new ATOM 0 HA SER B 74 155.582 6.050 -4.823 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.696 6.969 -6.792 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.157 7.921 -6.622 1.00 0.30 H new ATOM 0 HG SER B 74 157.230 6.414 -8.045 1.00 1.36 H new ATOM 2572 N ARG B 75 157.309 4.138 -6.881 1.00 0.27 N ATOM 2573 CA ARG B 75 157.361 2.741 -7.393 1.00 0.27 C ATOM 2574 C ARG B 75 157.310 1.770 -6.218 1.00 0.26 C ATOM 2575 O ARG B 75 156.689 0.728 -6.298 1.00 0.26 O ATOM 2576 CB ARG B 75 158.651 2.533 -8.190 1.00 0.29 C ATOM 2577 CG ARG B 75 158.573 3.323 -9.499 1.00 0.32 C ATOM 2578 CD ARG B 75 159.921 3.261 -10.219 1.00 0.61 C ATOM 2579 NE ARG B 75 160.161 1.873 -10.706 1.00 1.35 N ATOM 2580 CZ ARG B 75 161.087 1.645 -11.599 1.00 1.82 C ATOM 2581 NH1 ARG B 75 161.797 2.633 -12.069 1.00 1.89 N ATOM 2582 NH2 ARG B 75 161.300 0.430 -12.022 1.00 2.81 N ATOM 0 H ARG B 75 158.114 4.718 -7.117 1.00 0.27 H new ATOM 0 HA ARG B 75 156.508 2.558 -8.047 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.510 2.861 -7.605 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.795 1.473 -8.400 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.790 2.913 -10.137 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.307 4.360 -9.294 1.00 0.32 H new ATOM 0 HD2 ARG B 75 159.930 3.958 -11.057 1.00 0.61 H new ATOM 0 HD3 ARG B 75 160.721 3.564 -9.543 1.00 0.61 H new ATOM 0 HE ARG B 75 159.602 1.101 -10.342 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.629 3.584 -11.739 1.00 1.89 H new ATOM 0 HH12 ARG B 75 162.520 2.455 -12.766 1.00 1.89 H new ATOM 0 HH21 ARG B 75 160.744 -0.342 -11.656 1.00 2.81 H new ATOM 0 HH22 ARG B 75 162.023 0.252 -12.719 1.00 2.81 H new ATOM 2596 N ASP B 76 157.967 2.075 -5.134 1.00 0.24 N ATOM 2597 CA ASP B 76 157.969 1.150 -3.970 1.00 0.24 C ATOM 2598 C ASP B 76 156.580 1.086 -3.337 1.00 0.22 C ATOM 2599 O ASP B 76 156.131 0.031 -2.933 1.00 0.22 O ATOM 2600 CB ASP B 76 158.977 1.645 -2.932 1.00 0.23 C ATOM 2601 CG ASP B 76 160.396 1.450 -3.469 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.560 0.649 -4.375 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.295 2.105 -2.968 1.00 0.39 O ATOM 0 H ASP B 76 158.506 2.931 -5.005 1.00 0.24 H new ATOM 0 HA ASP B 76 158.246 0.153 -4.312 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.801 2.698 -2.711 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.852 1.098 -1.997 1.00 0.23 H new ATOM 2608 N CYS B 77 155.885 2.186 -3.244 1.00 0.22 N ATOM 2609 CA CYS B 77 154.528 2.140 -2.638 1.00 0.21 C ATOM 2610 C CYS B 77 153.585 1.364 -3.558 1.00 0.22 C ATOM 2611 O CYS B 77 152.755 0.603 -3.104 1.00 0.21 O ATOM 2612 CB CYS B 77 154.001 3.566 -2.464 1.00 0.22 C ATOM 2613 SG CYS B 77 154.937 4.405 -1.160 1.00 0.23 S ATOM 0 H CYS B 77 156.195 3.105 -3.558 1.00 0.22 H new ATOM 0 HA CYS B 77 154.581 1.647 -1.668 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.092 4.115 -3.401 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.942 3.544 -2.209 1.00 0.22 H new ATOM 0 HG CYS B 77 155.344 3.532 -0.287 1.00 0.23 H new ATOM 2619 N PHE B 78 153.688 1.555 -4.846 1.00 0.23 N ATOM 2620 CA PHE B 78 152.772 0.825 -5.762 1.00 0.25 C ATOM 2621 C PHE B 78 152.971 -0.681 -5.595 1.00 0.24 C ATOM 2622 O PHE B 78 152.060 -1.403 -5.244 1.00 0.23 O ATOM 2623 CB PHE B 78 153.071 1.220 -7.209 1.00 0.28 C ATOM 2624 CG PHE B 78 152.051 0.584 -8.123 1.00 0.32 C ATOM 2625 CD1 PHE B 78 152.286 -0.688 -8.659 1.00 0.38 C ATOM 2626 CD2 PHE B 78 150.865 1.263 -8.431 1.00 0.36 C ATOM 2627 CE1 PHE B 78 151.339 -1.279 -9.503 1.00 0.43 C ATOM 2628 CE2 PHE B 78 149.918 0.671 -9.275 1.00 0.40 C ATOM 2629 CZ PHE B 78 150.155 -0.599 -9.811 1.00 0.42 C ATOM 0 H PHE B 78 154.359 2.177 -5.297 1.00 0.23 H new ATOM 0 HA PHE B 78 151.741 1.084 -5.520 1.00 0.25 H new ATOM 0 HB2 PHE B 78 153.044 2.305 -7.315 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.075 0.898 -7.486 1.00 0.28 H new ATOM 0 HD1 PHE B 78 153.199 -1.214 -8.421 1.00 0.38 H new ATOM 0 HD2 PHE B 78 150.681 2.243 -8.017 1.00 0.36 H new ATOM 0 HE1 PHE B 78 151.522 -2.260 -9.917 1.00 0.43 H new ATOM 0 HE2 PHE B 78 149.004 1.195 -9.512 1.00 0.40 H new ATOM 0 HZ PHE B 78 149.424 -1.055 -10.463 1.00 0.42 H new ATOM 2639 N GLY B 79 154.162 -1.162 -5.845 1.00 0.25 N ATOM 2640 CA GLY B 79 154.434 -2.620 -5.705 1.00 0.25 C ATOM 2641 C GLY B 79 154.175 -3.072 -4.266 1.00 0.23 C ATOM 2642 O GLY B 79 153.704 -4.161 -4.021 1.00 0.24 O ATOM 0 H GLY B 79 154.961 -0.602 -6.142 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.800 -3.183 -6.390 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.467 -2.832 -5.980 1.00 0.25 H new ATOM 2646 N CYS B 80 154.473 -2.236 -3.314 1.00 0.22 N ATOM 2647 CA CYS B 80 154.235 -2.621 -1.893 1.00 0.21 C ATOM 2648 C CYS B 80 152.736 -2.693 -1.622 1.00 0.21 C ATOM 2649 O CYS B 80 152.246 -3.651 -1.059 1.00 0.22 O ATOM 2650 CB CYS B 80 154.872 -1.583 -0.972 1.00 0.22 C ATOM 2651 SG CYS B 80 154.543 -2.020 0.755 1.00 0.24 S ATOM 0 H CYS B 80 154.869 -1.307 -3.455 1.00 0.22 H new ATOM 0 HA CYS B 80 154.680 -3.598 -1.704 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.947 -1.537 -1.148 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.471 -0.593 -1.190 1.00 0.22 H new ATOM 0 HG CYS B 80 154.279 -0.942 1.433 1.00 0.24 H new ATOM 2657 N LEU B 81 151.996 -1.703 -2.033 1.00 0.21 N ATOM 2658 CA LEU B 81 150.529 -1.764 -1.803 1.00 0.21 C ATOM 2659 C LEU B 81 149.939 -2.845 -2.711 1.00 0.21 C ATOM 2660 O LEU B 81 149.072 -3.597 -2.314 1.00 0.22 O ATOM 2661 CB LEU B 81 149.906 -0.400 -2.131 1.00 0.22 C ATOM 2662 CG LEU B 81 150.491 0.682 -1.205 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.255 2.064 -1.815 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.811 0.634 0.169 1.00 0.28 C ATOM 0 H LEU B 81 152.336 -0.868 -2.510 1.00 0.21 H new ATOM 0 HA LEU B 81 150.317 -2.006 -0.761 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.100 -0.143 -3.172 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.824 -0.447 -2.011 1.00 0.22 H new ATOM 0 HG LEU B 81 151.559 0.496 -1.091 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.670 2.828 -1.157 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.742 2.120 -2.789 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.185 2.231 -1.935 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.235 1.405 0.812 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.741 0.808 0.052 1.00 0.28 H new ATOM 0 HD23 LEU B 81 149.972 -0.345 0.621 1.00 0.28 H new ATOM 2676 N ARG B 82 150.408 -2.932 -3.930 1.00 0.22 N ATOM 2677 CA ARG B 82 149.883 -3.968 -4.867 1.00 0.24 C ATOM 2678 C ARG B 82 150.199 -5.367 -4.334 1.00 0.25 C ATOM 2679 O ARG B 82 149.375 -6.258 -4.396 1.00 0.26 O ATOM 2680 CB ARG B 82 150.513 -3.763 -6.253 1.00 0.28 C ATOM 2681 CG ARG B 82 150.099 -4.881 -7.225 1.00 0.32 C ATOM 2682 CD ARG B 82 148.567 -4.959 -7.374 1.00 0.85 C ATOM 2683 NE ARG B 82 148.059 -6.030 -6.470 1.00 1.42 N ATOM 2684 CZ ARG B 82 146.782 -6.139 -6.229 1.00 1.96 C ATOM 2685 NH1 ARG B 82 145.943 -5.304 -6.772 1.00 2.26 N ATOM 2686 NH2 ARG B 82 146.345 -7.089 -5.448 1.00 2.74 N ATOM 0 H ARG B 82 151.134 -2.328 -4.316 1.00 0.22 H new ATOM 0 HA ARG B 82 148.800 -3.871 -4.950 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.207 -2.797 -6.655 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.599 -3.741 -6.162 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.552 -4.703 -8.200 1.00 0.32 H new ATOM 0 HG3 ARG B 82 150.480 -5.837 -6.866 1.00 0.32 H new ATOM 0 HD2 ARG B 82 148.112 -4.001 -7.120 1.00 0.85 H new ATOM 0 HD3 ARG B 82 148.297 -5.176 -8.408 1.00 0.85 H new ATOM 0 HE ARG B 82 148.714 -6.681 -6.037 1.00 1.42 H new ATOM 0 HH11 ARG B 82 146.285 -4.565 -7.386 1.00 2.26 H new ATOM 0 HH12 ARG B 82 144.944 -5.389 -6.583 1.00 2.26 H new ATOM 0 HH21 ARG B 82 147.002 -7.746 -5.027 1.00 2.74 H new ATOM 0 HH22 ARG B 82 145.346 -7.175 -5.259 1.00 2.74 H new ATOM 2700 N GLU B 83 151.380 -5.582 -3.817 1.00 0.25 N ATOM 2701 CA GLU B 83 151.732 -6.935 -3.296 1.00 0.27 C ATOM 2702 C GLU B 83 150.944 -7.248 -2.022 1.00 0.27 C ATOM 2703 O GLU B 83 150.488 -8.360 -1.840 1.00 0.28 O ATOM 2704 CB GLU B 83 153.237 -7.011 -3.009 1.00 0.29 C ATOM 2705 CG GLU B 83 154.007 -7.106 -4.331 1.00 0.33 C ATOM 2706 CD GLU B 83 155.512 -7.064 -4.055 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.880 -6.964 -2.896 1.00 1.91 O ATOM 2708 OE2 GLU B 83 156.271 -7.133 -5.008 1.00 1.57 O ATOM 0 H GLU B 83 152.115 -4.880 -3.733 1.00 0.25 H new ATOM 0 HA GLU B 83 151.472 -7.673 -4.054 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.557 -6.130 -2.453 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.456 -7.878 -2.386 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.748 -8.030 -4.848 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.725 -6.283 -4.988 1.00 0.33 H new ATOM 2715 N TRP B 84 150.753 -6.300 -1.139 1.00 0.25 N ATOM 2716 CA TRP B 84 149.969 -6.604 0.090 1.00 0.25 C ATOM 2717 C TRP B 84 148.575 -7.046 -0.351 1.00 0.26 C ATOM 2718 O TRP B 84 148.011 -7.988 0.167 1.00 0.28 O ATOM 2719 CB TRP B 84 149.857 -5.354 0.967 1.00 0.25 C ATOM 2720 CG TRP B 84 149.129 -5.701 2.226 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.726 -6.048 3.388 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.695 -5.750 2.472 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.751 -6.304 4.333 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.482 -6.136 3.818 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.570 -5.500 1.668 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 146.199 -6.270 4.346 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 145.275 -5.635 2.197 1.00 0.35 C ATOM 2728 CH2 TRP B 84 145.091 -6.019 3.533 1.00 0.36 C ATOM 0 H TRP B 84 151.101 -5.344 -1.216 1.00 0.25 H new ATOM 0 HA TRP B 84 150.460 -7.386 0.669 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.850 -4.969 1.201 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.327 -4.566 0.432 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.792 -6.114 3.551 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.946 -6.583 5.295 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.701 -5.203 0.638 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 146.063 -6.566 5.376 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.416 -5.442 1.571 1.00 0.35 H new ATOM 0 HH2 TRP B 84 144.093 -6.121 3.933 1.00 0.36 H new ATOM 2739 N CYS B 85 148.026 -6.367 -1.320 1.00 0.27 N ATOM 2740 CA CYS B 85 146.673 -6.740 -1.820 1.00 0.30 C ATOM 2741 C CYS B 85 146.729 -8.153 -2.407 1.00 0.33 C ATOM 2742 O CYS B 85 145.837 -8.956 -2.215 1.00 0.36 O ATOM 2743 CB CYS B 85 146.250 -5.754 -2.909 1.00 0.33 C ATOM 2744 SG CYS B 85 145.852 -4.156 -2.156 1.00 0.33 S ATOM 0 H CYS B 85 148.456 -5.569 -1.788 1.00 0.27 H new ATOM 0 HA CYS B 85 145.954 -6.710 -1.002 1.00 0.30 H new ATOM 0 HB2 CYS B 85 147.052 -5.635 -3.638 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.384 -6.140 -3.447 1.00 0.33 H new ATOM 0 HG CYS B 85 146.944 -3.471 -1.989 1.00 0.33 H new ATOM 2750 N ASP B 86 147.783 -8.459 -3.113 1.00 0.34 N ATOM 2751 CA ASP B 86 147.928 -9.814 -3.712 1.00 0.40 C ATOM 2752 C ASP B 86 147.928 -10.871 -2.607 1.00 0.41 C ATOM 2753 O ASP B 86 147.410 -11.957 -2.773 1.00 0.43 O ATOM 2754 CB ASP B 86 149.235 -9.894 -4.501 1.00 0.42 C ATOM 2755 CG ASP B 86 149.118 -9.045 -5.769 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.999 -8.764 -6.169 1.00 0.55 O ATOM 2757 OD2 ASP B 86 150.148 -8.691 -6.320 1.00 0.52 O ATOM 0 H ASP B 86 148.556 -7.821 -3.302 1.00 0.34 H new ATOM 0 HA ASP B 86 147.091 -9.998 -4.385 1.00 0.40 H new ATOM 0 HB2 ASP B 86 150.064 -9.540 -3.889 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.452 -10.930 -4.763 1.00 0.42 H new ATOM 2762 N ALA B 87 148.525 -10.570 -1.482 1.00 0.40 N ATOM 2763 CA ALA B 87 148.578 -11.569 -0.375 1.00 0.43 C ATOM 2764 C ALA B 87 147.310 -11.481 0.471 1.00 0.43 C ATOM 2765 O ALA B 87 146.795 -12.480 0.934 1.00 0.47 O ATOM 2766 CB ALA B 87 149.790 -11.278 0.511 1.00 0.40 C ATOM 0 H ALA B 87 148.977 -9.677 -1.283 1.00 0.40 H new ATOM 0 HA ALA B 87 148.658 -12.569 -0.802 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.832 -12.006 1.321 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.700 -11.345 -0.084 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.703 -10.275 0.929 1.00 0.40 H new ATOM 2772 N PHE B 88 146.813 -10.291 0.699 1.00 0.39 N ATOM 2773 CA PHE B 88 145.589 -10.134 1.543 1.00 0.44 C ATOM 2774 C PHE B 88 144.361 -9.893 0.667 1.00 0.54 C ATOM 2775 O PHE B 88 143.621 -10.803 0.350 1.00 1.24 O ATOM 2776 CB PHE B 88 145.767 -8.928 2.468 1.00 0.41 C ATOM 2777 CG PHE B 88 146.754 -9.258 3.557 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.315 -9.891 4.725 1.00 0.43 C ATOM 2779 CD2 PHE B 88 148.105 -8.927 3.404 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.226 -10.193 5.739 1.00 0.46 C ATOM 2781 CE2 PHE B 88 149.016 -9.228 4.420 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.575 -9.860 5.588 1.00 0.44 C ATOM 0 H PHE B 88 147.202 -9.421 0.337 1.00 0.39 H new ATOM 0 HA PHE B 88 145.447 -11.046 2.122 1.00 0.44 H new ATOM 0 HB2 PHE B 88 146.117 -8.069 1.896 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.808 -8.650 2.906 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.272 -10.146 4.842 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.443 -8.439 2.502 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.888 -10.684 6.640 1.00 0.46 H new ATOM 0 HE2 PHE B 88 150.059 -8.973 4.304 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.278 -10.091 6.374 1.00 0.44 H new ATOM 2792 N LEU B 89 144.124 -8.663 0.296 1.00 0.39 N ATOM 2793 CA LEU B 89 142.933 -8.333 -0.530 1.00 0.36 C ATOM 2794 C LEU B 89 143.246 -8.561 -2.010 1.00 0.87 C ATOM 2795 O LEU B 89 143.841 -7.685 -2.610 1.00 1.43 O ATOM 2796 CB LEU B 89 142.590 -6.859 -0.290 1.00 0.74 C ATOM 2797 CG LEU B 89 141.522 -6.381 -1.271 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.336 -7.347 -1.267 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.047 -4.994 -0.834 1.00 1.27 C ATOM 2800 OXT LEU B 89 142.881 -9.610 -2.518 1.00 1.67 O ATOM 0 H LEU B 89 144.714 -7.866 0.534 1.00 0.39 H new ATOM 0 HA LEU B 89 142.091 -8.969 -0.255 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.236 -6.726 0.732 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.488 -6.250 -0.399 1.00 0.74 H new ATOM 0 HG LEU B 89 141.940 -6.340 -2.277 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.580 -6.997 -1.970 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.675 -8.340 -1.562 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.907 -7.393 -0.266 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.283 -4.637 -1.524 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.629 -5.052 0.171 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.890 -4.303 -0.837 1.00 1.27 H new TER 2812 LEU B 89