USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -129:sc= 1.34 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 40 THR OG1 : rot -130:sc= 0.505 USER MOD Set 2.2: A 48 TYR OH : rot 30:sc= 0.015 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0.149 (180deg=-0.29) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 1.15 (180deg=0.911) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0168) USER MOD Single : A 12 GLN : amide:sc= -0.051 K(o=-0.051,f=-1.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -160:sc= -1.52 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0501 USER MOD Single : A 18 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-5!) USER MOD Single : A 19 THR OG1 : rot 53:sc= 0.562 USER MOD Single : A 28 THR OG1 : rot 17:sc= 0.466 USER MOD Single : A 31 ASN : amide:sc=-0.00687 K(o=-0.0069,f=-1) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 47 THR OG1 : rot 160:sc= 0.285 USER MOD Single : A 49 THR OG1 : rot 90:sc= -0.541 USER MOD Single : A 52 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.048) USER MOD Single : A 53 LYS NZ :NH3+ 138:sc= 1.07 (180deg=-1.1!) USER MOD Single : A 54 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 55 LYS NZ :NH3+ 133:sc= 1.23 (180deg=0.0424) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 135:sc= 1.06 (180deg=-1.08!) USER MOD Single : A 63 THR OG1 : rot 61:sc= 0.373 USER MOD Single : A 65 MET CE :methyl -159:sc= -0.173 (180deg=-0.988) USER MOD Single : A 70 ASN : amide:sc= 1.24 K(o=1.2,f=-0.63) USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= 0.00537 (180deg=-0.251) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.153 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.102 (180deg=-0.102) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 97 TYR OH : rot -4:sc= 0.211 USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 0.0187 (180deg=0.0118) USER MOD Single : A 100 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0704) USER MOD Single : A 102 THR OG1 : rot -27:sc= 0.878 USER MOD Single : A 103 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.931 9.937 4.786 1.00 0.00 N ATOM 2 CA GLY A 1 -10.928 10.375 5.748 1.00 0.00 C ATOM 3 C GLY A 1 -10.188 11.515 5.063 1.00 0.00 C ATOM 4 O GLY A 1 -10.855 12.261 4.349 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.587 9.274 5.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.461 10.761 4.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.463 9.463 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.392 10.708 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.248 9.563 6.005 1.00 0.00 H new ATOM 10 N ASP A 2 -8.873 11.630 5.229 1.00 0.00 N ATOM 11 CA ASP A 2 -8.047 12.671 4.632 1.00 0.00 C ATOM 12 C ASP A 2 -6.595 12.179 4.586 1.00 0.00 C ATOM 13 O ASP A 2 -6.274 11.140 5.157 1.00 0.00 O ATOM 14 CB ASP A 2 -8.203 13.962 5.450 1.00 0.00 C ATOM 15 CG ASP A 2 -7.555 15.150 4.763 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.318 15.259 4.906 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.278 15.880 4.059 1.00 0.00 O ATOM 0 H ASP A 2 -8.337 10.978 5.802 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.358 12.889 3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.262 14.167 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.756 13.824 6.435 1.00 0.00 H new ATOM 22 N VAL A 3 -5.695 12.919 3.941 1.00 0.00 N ATOM 23 CA VAL A 3 -4.269 12.658 4.024 1.00 0.00 C ATOM 24 C VAL A 3 -3.764 12.894 5.448 1.00 0.00 C ATOM 25 O VAL A 3 -2.866 12.190 5.904 1.00 0.00 O ATOM 26 CB VAL A 3 -3.489 13.481 2.979 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.873 14.964 2.912 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.981 13.389 3.246 1.00 0.00 C ATOM 0 H VAL A 3 -5.938 13.713 3.349 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.093 11.609 3.787 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.758 13.038 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.273 15.461 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.929 15.055 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.690 15.431 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.443 13.975 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.763 13.779 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.664 12.348 3.187 1.00 0.00 H new ATOM 38 N GLU A 4 -4.312 13.881 6.156 1.00 0.00 N ATOM 39 CA GLU A 4 -3.821 14.254 7.474 1.00 0.00 C ATOM 40 C GLU A 4 -3.966 13.085 8.442 1.00 0.00 C ATOM 41 O GLU A 4 -2.997 12.669 9.081 1.00 0.00 O ATOM 42 CB GLU A 4 -4.554 15.509 7.970 1.00 0.00 C ATOM 43 CG GLU A 4 -4.033 16.766 7.262 1.00 0.00 C ATOM 44 CD GLU A 4 -2.586 17.051 7.639 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.360 17.484 8.788 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.704 16.753 6.804 1.00 0.00 O ATOM 0 H GLU A 4 -5.102 14.438 5.832 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.760 14.494 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.624 15.404 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.419 15.612 9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.112 16.637 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.656 17.620 7.527 1.00 0.00 H new ATOM 53 N LYS A 5 -5.179 12.541 8.533 1.00 0.00 N ATOM 54 CA LYS A 5 -5.426 11.343 9.313 1.00 0.00 C ATOM 55 C LYS A 5 -4.810 10.129 8.621 1.00 0.00 C ATOM 56 O LYS A 5 -4.137 9.347 9.293 1.00 0.00 O ATOM 57 CB LYS A 5 -6.911 11.235 9.681 1.00 0.00 C ATOM 58 CG LYS A 5 -7.364 12.348 10.640 1.00 0.00 C ATOM 59 CD LYS A 5 -6.784 12.197 12.057 1.00 0.00 C ATOM 60 CE LYS A 5 -7.306 13.319 12.966 1.00 0.00 C ATOM 61 NZ LYS A 5 -6.736 13.247 14.328 1.00 0.00 N ATOM 0 H LYS A 5 -6.006 12.918 8.071 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.919 11.394 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.511 11.277 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.098 10.265 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.065 13.314 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.452 12.349 10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.060 11.227 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.695 12.228 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.063 14.285 12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.393 13.260 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.117 14.024 14.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.989 12.337 14.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.701 13.330 14.276 1.00 0.00 H new ATOM 75 N GLY A 6 -4.920 10.024 7.293 1.00 0.00 N ATOM 76 CA GLY A 6 -4.392 8.881 6.562 1.00 0.00 C ATOM 77 C GLY A 6 -2.928 8.634 6.898 1.00 0.00 C ATOM 78 O GLY A 6 -2.565 7.549 7.339 1.00 0.00 O ATOM 0 H GLY A 6 -5.373 10.723 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.977 7.993 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.497 9.052 5.491 1.00 0.00 H new ATOM 82 N LYS A 7 -2.076 9.642 6.723 1.00 0.00 N ATOM 83 CA LYS A 7 -0.639 9.486 6.877 1.00 0.00 C ATOM 84 C LYS A 7 -0.239 9.146 8.316 1.00 0.00 C ATOM 85 O LYS A 7 0.736 8.431 8.538 1.00 0.00 O ATOM 86 CB LYS A 7 0.100 10.674 6.252 1.00 0.00 C ATOM 87 CG LYS A 7 0.186 11.846 7.213 1.00 0.00 C ATOM 88 CD LYS A 7 0.439 13.157 6.459 1.00 0.00 C ATOM 89 CE LYS A 7 0.762 14.298 7.434 1.00 0.00 C ATOM 90 NZ LYS A 7 0.602 15.629 6.814 1.00 0.00 N ATOM 0 H LYS A 7 -2.366 10.587 6.471 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.314 8.611 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.105 10.366 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.414 10.985 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.740 11.923 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.988 11.674 7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.266 13.026 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.439 13.416 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.110 14.225 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.785 14.188 7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.928 16.362 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.166 15.676 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.400 15.788 6.587 1.00 0.00 H new ATOM 104 N LYS A 8 -1.004 9.630 9.296 1.00 0.00 N ATOM 105 CA LYS A 8 -0.753 9.354 10.704 1.00 0.00 C ATOM 106 C LYS A 8 -1.126 7.907 11.019 1.00 0.00 C ATOM 107 O LYS A 8 -0.342 7.172 11.618 1.00 0.00 O ATOM 108 CB LYS A 8 -1.543 10.333 11.593 1.00 0.00 C ATOM 109 CG LYS A 8 -0.694 11.485 12.154 1.00 0.00 C ATOM 110 CD LYS A 8 -0.100 12.402 11.069 1.00 0.00 C ATOM 111 CE LYS A 8 1.425 12.267 10.907 1.00 0.00 C ATOM 112 NZ LYS A 8 2.176 12.759 12.083 1.00 0.00 N ATOM 0 H LYS A 8 -1.816 10.225 9.131 1.00 0.00 H new ATOM 0 HA LYS A 8 0.308 9.494 10.913 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.367 10.750 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.983 9.781 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.309 12.084 12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.118 11.069 12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.578 12.178 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.340 13.437 11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.675 11.220 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.742 12.820 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.194 12.754 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.874 13.729 12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.989 12.141 12.898 1.00 0.00 H new ATOM 126 N ILE A 9 -2.339 7.507 10.636 1.00 0.00 N ATOM 127 CA ILE A 9 -2.868 6.194 10.948 1.00 0.00 C ATOM 128 C ILE A 9 -2.052 5.154 10.174 1.00 0.00 C ATOM 129 O ILE A 9 -1.743 4.087 10.698 1.00 0.00 O ATOM 130 CB ILE A 9 -4.381 6.220 10.670 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.046 7.000 11.822 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.983 4.818 10.569 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.533 7.281 11.606 1.00 0.00 C ATOM 0 H ILE A 9 -2.979 8.092 10.099 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.768 5.911 11.996 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.558 6.698 9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.924 6.436 12.747 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.523 7.947 11.955 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.052 4.895 10.372 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.502 4.273 9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.824 4.285 11.507 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.927 7.833 12.460 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.664 7.873 10.700 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.070 6.338 11.504 1.00 0.00 H new ATOM 145 N PHE A 10 -1.646 5.508 8.957 1.00 0.00 N ATOM 146 CA PHE A 10 -0.643 4.794 8.196 1.00 0.00 C ATOM 147 C PHE A 10 0.635 4.646 9.006 1.00 0.00 C ATOM 148 O PHE A 10 0.975 3.536 9.390 1.00 0.00 O ATOM 149 CB PHE A 10 -0.390 5.558 6.884 1.00 0.00 C ATOM 150 CG PHE A 10 0.818 5.136 6.077 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.079 5.696 6.322 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.703 4.112 5.136 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.239 5.130 5.782 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.852 3.563 4.555 1.00 0.00 C ATOM 155 CZ PHE A 10 3.123 4.044 4.901 1.00 0.00 C ATOM 0 H PHE A 10 -2.019 6.321 8.467 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.995 3.789 7.964 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.274 5.455 6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.289 6.617 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.157 6.580 6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.273 3.743 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.211 5.524 6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.759 2.763 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.008 3.581 4.491 1.00 0.00 H new ATOM 165 N VAL A 11 1.358 5.733 9.282 1.00 0.00 N ATOM 166 CA VAL A 11 2.650 5.643 9.938 1.00 0.00 C ATOM 167 C VAL A 11 2.550 4.793 11.218 1.00 0.00 C ATOM 168 O VAL A 11 3.425 3.973 11.485 1.00 0.00 O ATOM 169 CB VAL A 11 3.238 7.057 10.156 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.108 7.138 11.410 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.072 7.562 8.969 1.00 0.00 C ATOM 0 H VAL A 11 1.064 6.684 9.058 1.00 0.00 H new ATOM 0 HA VAL A 11 3.359 5.120 9.296 1.00 0.00 H new ATOM 0 HB VAL A 11 2.361 7.695 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.497 8.151 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.510 6.884 12.285 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.939 6.438 11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.453 8.559 9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.908 6.884 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.448 7.602 8.076 1.00 0.00 H new ATOM 181 N GLN A 12 1.464 4.948 11.983 1.00 0.00 N ATOM 182 CA GLN A 12 1.185 4.162 13.168 1.00 0.00 C ATOM 183 C GLN A 12 1.232 2.639 12.936 1.00 0.00 C ATOM 184 O GLN A 12 1.644 1.930 13.849 1.00 0.00 O ATOM 185 CB GLN A 12 -0.175 4.614 13.711 1.00 0.00 C ATOM 186 CG GLN A 12 -0.073 5.838 14.632 1.00 0.00 C ATOM 187 CD GLN A 12 0.331 5.473 16.061 1.00 0.00 C ATOM 188 OE1 GLN A 12 0.233 4.322 16.476 1.00 0.00 O ATOM 189 NE2 GLN A 12 0.758 6.455 16.848 1.00 0.00 N ATOM 0 H GLN A 12 0.744 5.642 11.782 1.00 0.00 H new ATOM 0 HA GLN A 12 1.975 4.341 13.898 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.835 4.848 12.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.634 3.791 14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.656 6.537 14.221 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.033 6.353 14.651 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.832 7.405 16.484 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.011 6.259 17.816 1.00 0.00 H new ATOM 198 N LYS A 13 0.776 2.117 11.785 1.00 0.00 N ATOM 199 CA LYS A 13 0.702 0.664 11.564 1.00 0.00 C ATOM 200 C LYS A 13 1.064 0.153 10.159 1.00 0.00 C ATOM 201 O LYS A 13 0.806 -1.007 9.840 1.00 0.00 O ATOM 202 CB LYS A 13 -0.660 0.136 12.018 1.00 0.00 C ATOM 203 CG LYS A 13 -1.860 0.877 11.431 1.00 0.00 C ATOM 204 CD LYS A 13 -2.521 1.771 12.483 1.00 0.00 C ATOM 205 CE LYS A 13 -3.307 0.948 13.520 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.939 1.807 14.540 1.00 0.00 N ATOM 0 H LYS A 13 0.454 2.678 10.996 1.00 0.00 H new ATOM 0 HA LYS A 13 1.502 0.254 12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.734 -0.918 11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.712 0.192 13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.539 1.483 10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.586 0.158 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.758 2.361 12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.193 2.474 11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.074 0.362 13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.635 0.241 14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.458 1.215 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.206 2.347 15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.599 2.465 14.079 1.00 0.00 H new ATOM 220 N CYS A 14 1.677 0.987 9.324 1.00 0.00 N ATOM 221 CA CYS A 14 2.092 0.640 7.970 1.00 0.00 C ATOM 222 C CYS A 14 3.598 0.879 7.856 1.00 0.00 C ATOM 223 O CYS A 14 4.321 0.027 7.350 1.00 0.00 O ATOM 224 CB CYS A 14 1.370 1.471 6.939 1.00 0.00 C ATOM 225 SG CYS A 14 -0.452 1.447 6.952 1.00 0.00 S ATOM 0 H CYS A 14 1.904 1.948 9.578 1.00 0.00 H new ATOM 0 HA CYS A 14 1.847 -0.405 7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.692 2.506 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.702 1.145 5.953 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.899 1.843 5.798 1.00 0.00 H new ATOM 230 N ALA A 15 4.084 2.028 8.345 1.00 0.00 N ATOM 231 CA ALA A 15 5.486 2.432 8.237 1.00 0.00 C ATOM 232 C ALA A 15 6.469 1.425 8.814 1.00 0.00 C ATOM 233 O ALA A 15 7.588 1.321 8.318 1.00 0.00 O ATOM 234 CB ALA A 15 5.713 3.785 8.884 1.00 0.00 C ATOM 0 H ALA A 15 3.503 2.710 8.833 1.00 0.00 H new ATOM 0 HA ALA A 15 5.684 2.488 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.763 4.062 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.095 4.534 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.445 3.733 9.939 1.00 0.00 H new ATOM 240 N GLN A 16 6.054 0.681 9.841 1.00 0.00 N ATOM 241 CA GLN A 16 6.796 -0.456 10.366 1.00 0.00 C ATOM 242 C GLN A 16 7.380 -1.326 9.244 1.00 0.00 C ATOM 243 O GLN A 16 8.485 -1.847 9.376 1.00 0.00 O ATOM 244 CB GLN A 16 5.882 -1.252 11.308 1.00 0.00 C ATOM 245 CG GLN A 16 4.617 -1.806 10.631 1.00 0.00 C ATOM 246 CD GLN A 16 3.722 -2.522 11.636 1.00 0.00 C ATOM 247 OE1 GLN A 16 2.884 -1.902 12.279 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.891 -3.832 11.788 1.00 0.00 N ATOM 0 H GLN A 16 5.180 0.858 10.335 1.00 0.00 H new ATOM 0 HA GLN A 16 7.655 -0.096 10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.448 -2.082 11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.586 -0.611 12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.064 -0.991 10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.899 -2.496 9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.597 -4.322 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.315 -4.347 12.454 1.00 0.00 H new ATOM 257 N CYS A 17 6.625 -1.469 8.151 1.00 0.00 N ATOM 258 CA CYS A 17 7.002 -2.187 6.949 1.00 0.00 C ATOM 259 C CYS A 17 7.335 -1.219 5.794 1.00 0.00 C ATOM 260 O CYS A 17 8.189 -1.542 4.973 1.00 0.00 O ATOM 261 CB CYS A 17 5.891 -3.144 6.591 1.00 0.00 C ATOM 262 SG CYS A 17 5.687 -4.456 7.848 1.00 0.00 S ATOM 0 H CYS A 17 5.691 -1.064 8.086 1.00 0.00 H new ATOM 0 HA CYS A 17 7.913 -2.757 7.132 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.957 -2.592 6.487 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.102 -3.599 5.623 1.00 0.00 H new ATOM 0 HG CYS A 17 4.720 -5.249 7.494 1.00 0.00 H new ATOM 267 N HIS A 18 6.685 -0.046 5.706 1.00 0.00 N ATOM 268 CA HIS A 18 6.741 0.843 4.540 1.00 0.00 C ATOM 269 C HIS A 18 7.161 2.266 4.905 1.00 0.00 C ATOM 270 O HIS A 18 6.307 3.142 5.025 1.00 0.00 O ATOM 271 CB HIS A 18 5.345 0.925 3.918 1.00 0.00 C ATOM 272 CG HIS A 18 4.876 -0.348 3.293 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.141 -0.731 2.003 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.850 -1.117 3.767 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.294 -1.724 1.709 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.507 -2.023 2.751 1.00 0.00 N ATOM 0 H HIS A 18 6.097 0.314 6.457 1.00 0.00 H new ATOM 0 HA HIS A 18 7.480 0.428 3.854 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.633 1.222 4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.342 1.710 3.162 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.849 -0.334 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.389 -1.042 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.250 -2.222 0.752 1.00 0.00 H new ATOM 284 N THR A 19 8.452 2.561 5.039 1.00 0.00 N ATOM 285 CA THR A 19 8.864 3.891 5.467 1.00 0.00 C ATOM 286 C THR A 19 8.835 4.910 4.311 1.00 0.00 C ATOM 287 O THR A 19 9.879 5.462 3.956 1.00 0.00 O ATOM 288 CB THR A 19 10.239 3.806 6.142 1.00 0.00 C ATOM 289 OG1 THR A 19 11.223 3.462 5.188 1.00 0.00 O ATOM 290 CG2 THR A 19 10.275 2.800 7.296 1.00 0.00 C ATOM 0 H THR A 19 9.216 1.909 4.861 1.00 0.00 H new ATOM 0 HA THR A 19 8.145 4.263 6.197 1.00 0.00 H new ATOM 0 HB THR A 19 10.444 4.790 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.175 4.082 4.431 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.273 2.784 7.734 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.550 3.092 8.056 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.028 1.807 6.921 1.00 0.00 H new ATOM 298 N VAL A 20 7.662 5.170 3.724 1.00 0.00 N ATOM 299 CA VAL A 20 7.438 6.257 2.799 1.00 0.00 C ATOM 300 C VAL A 20 7.290 7.540 3.622 1.00 0.00 C ATOM 301 O VAL A 20 6.570 7.548 4.617 1.00 0.00 O ATOM 302 CB VAL A 20 6.224 5.946 1.910 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.887 5.985 2.653 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.176 6.923 0.738 1.00 0.00 C ATOM 0 H VAL A 20 6.827 4.608 3.892 1.00 0.00 H new ATOM 0 HA VAL A 20 8.275 6.391 2.114 1.00 0.00 H new ATOM 0 HB VAL A 20 6.360 4.923 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.078 5.755 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.896 5.249 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.733 6.979 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.313 6.697 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.093 7.942 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.088 6.828 0.148 1.00 0.00 H new ATOM 426 N THR A 28 10.129 -6.559 3.135 1.00 0.00 N ATOM 427 CA THR A 28 8.822 -6.946 3.649 1.00 0.00 C ATOM 428 C THR A 28 7.843 -5.773 3.577 1.00 0.00 C ATOM 429 O THR A 28 6.990 -5.629 4.441 1.00 0.00 O ATOM 430 CB THR A 28 8.952 -7.507 5.078 1.00 0.00 C ATOM 431 OG1 THR A 28 10.147 -8.256 5.189 1.00 0.00 O ATOM 432 CG2 THR A 28 7.792 -8.439 5.452 1.00 0.00 C ATOM 0 HA THR A 28 8.416 -7.740 3.022 1.00 0.00 H new ATOM 0 HB THR A 28 8.947 -6.649 5.750 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.740 -8.038 4.440 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.933 -8.806 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.851 -7.892 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.766 -9.282 4.762 1.00 0.00 H new ATOM 440 N GLY A 29 7.940 -4.965 2.525 1.00 0.00 N ATOM 441 CA GLY A 29 7.144 -3.759 2.386 1.00 0.00 C ATOM 442 C GLY A 29 7.915 -2.794 1.497 1.00 0.00 C ATOM 443 O GLY A 29 8.844 -2.146 1.968 1.00 0.00 O ATOM 0 H GLY A 29 8.576 -5.133 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.173 -3.990 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.955 -3.312 3.362 1.00 0.00 H new ATOM 447 N PRO A 30 7.624 -2.735 0.190 1.00 0.00 N ATOM 448 CA PRO A 30 8.348 -1.841 -0.690 1.00 0.00 C ATOM 449 C PRO A 30 8.034 -0.390 -0.315 1.00 0.00 C ATOM 450 O PRO A 30 6.887 -0.074 -0.009 1.00 0.00 O ATOM 451 CB PRO A 30 7.911 -2.200 -2.113 1.00 0.00 C ATOM 452 CG PRO A 30 6.558 -2.889 -1.926 1.00 0.00 C ATOM 453 CD PRO A 30 6.618 -3.498 -0.525 1.00 0.00 C ATOM 0 HA PRO A 30 9.430 -1.946 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.823 -1.312 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.631 -2.860 -2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.737 -2.178 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.397 -3.656 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.650 -3.433 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.884 -4.554 -0.568 1.00 0.00 H new ATOM 461 N ASN A 31 9.033 0.498 -0.324 1.00 0.00 N ATOM 462 CA ASN A 31 8.792 1.930 -0.194 1.00 0.00 C ATOM 463 C ASN A 31 7.736 2.356 -1.217 1.00 0.00 C ATOM 464 O ASN A 31 7.921 2.121 -2.410 1.00 0.00 O ATOM 465 CB ASN A 31 10.087 2.713 -0.443 1.00 0.00 C ATOM 466 CG ASN A 31 9.835 4.218 -0.435 1.00 0.00 C ATOM 467 OD1 ASN A 31 8.966 4.704 0.276 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.591 4.980 -1.221 1.00 0.00 N ATOM 0 H ASN A 31 10.016 0.245 -0.420 1.00 0.00 H new ATOM 0 HA ASN A 31 8.441 2.142 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.820 2.461 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.514 2.419 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.452 5.990 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.310 4.554 -1.806 1.00 0.00 H new ATOM 475 N LEU A 32 6.649 2.985 -0.762 1.00 0.00 N ATOM 476 CA LEU A 32 5.504 3.328 -1.599 1.00 0.00 C ATOM 477 C LEU A 32 5.813 4.566 -2.448 1.00 0.00 C ATOM 478 O LEU A 32 5.135 5.587 -2.357 1.00 0.00 O ATOM 479 CB LEU A 32 4.259 3.541 -0.721 1.00 0.00 C ATOM 480 CG LEU A 32 3.966 2.417 0.280 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.679 2.709 1.046 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.770 1.085 -0.440 1.00 0.00 C ATOM 0 H LEU A 32 6.541 3.272 0.211 1.00 0.00 H new ATOM 0 HA LEU A 32 5.299 2.504 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.378 4.474 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.392 3.662 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 32 4.817 2.360 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.485 1.902 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.784 3.649 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.848 2.785 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.563 0.303 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.932 1.165 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.675 0.834 -0.994 1.00 0.00 H new ATOM 494 N HIS A 33 6.853 4.482 -3.282 1.00 0.00 N ATOM 495 CA HIS A 33 7.404 5.619 -4.007 1.00 0.00 C ATOM 496 C HIS A 33 6.491 6.094 -5.143 1.00 0.00 C ATOM 497 O HIS A 33 6.708 7.165 -5.704 1.00 0.00 O ATOM 498 CB HIS A 33 8.808 5.270 -4.518 1.00 0.00 C ATOM 499 CG HIS A 33 8.821 4.466 -5.795 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.182 4.950 -7.031 1.00 0.00 N ATOM 501 CD2 HIS A 33 8.439 3.160 -5.954 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.035 3.950 -7.915 1.00 0.00 C ATOM 503 NE2 HIS A 33 8.576 2.843 -7.311 1.00 0.00 N ATOM 0 H HIS A 33 7.340 3.606 -3.472 1.00 0.00 H new ATOM 0 HA HIS A 33 7.475 6.458 -3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.364 6.194 -4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.335 4.711 -3.745 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.095 2.496 -5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.256 4.026 -8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.368 1.948 -7.753 1.00 0.00 H new ATOM 511 N GLY A 34 5.501 5.285 -5.524 1.00 0.00 N ATOM 512 CA GLY A 34 4.527 5.640 -6.534 1.00 0.00 C ATOM 513 C GLY A 34 3.486 4.532 -6.604 1.00 0.00 C ATOM 514 O GLY A 34 3.859 3.376 -6.778 1.00 0.00 O ATOM 0 H GLY A 34 5.359 4.355 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.054 6.591 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.012 5.767 -7.502 1.00 0.00 H new ATOM 518 N LEU A 35 2.209 4.881 -6.441 1.00 0.00 N ATOM 519 CA LEU A 35 1.104 3.934 -6.404 1.00 0.00 C ATOM 520 C LEU A 35 0.231 4.176 -7.638 1.00 0.00 C ATOM 521 O LEU A 35 0.296 3.446 -8.625 1.00 0.00 O ATOM 522 CB LEU A 35 0.279 4.116 -5.116 1.00 0.00 C ATOM 523 CG LEU A 35 0.994 3.876 -3.784 1.00 0.00 C ATOM 524 CD1 LEU A 35 1.775 2.564 -3.794 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.868 5.066 -3.356 1.00 0.00 C ATOM 0 H LEU A 35 1.913 5.851 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 35 1.486 2.913 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.115 5.132 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.577 3.443 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 35 0.217 3.785 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.269 2.427 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.090 1.734 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.524 2.592 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.350 4.840 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.629 5.250 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.245 5.953 -3.245 1.00 0.00 H new ATOM 537 N PHE A 36 -0.565 5.244 -7.576 1.00 0.00 N ATOM 538 CA PHE A 36 -1.623 5.575 -8.512 1.00 0.00 C ATOM 539 C PHE A 36 -1.011 5.834 -9.877 1.00 0.00 C ATOM 540 O PHE A 36 -0.373 6.865 -10.075 1.00 0.00 O ATOM 541 CB PHE A 36 -2.406 6.790 -7.988 1.00 0.00 C ATOM 542 CG PHE A 36 -3.043 6.563 -6.625 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.274 6.670 -5.450 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.353 6.059 -6.540 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.748 6.142 -4.241 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.847 5.598 -5.308 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.054 5.650 -4.156 1.00 0.00 C ATOM 0 H PHE A 36 -0.479 5.934 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.326 4.748 -8.610 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.734 7.646 -7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.185 7.046 -8.706 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.313 7.162 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.978 6.026 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.104 6.115 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.849 5.199 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.448 5.313 -3.209 1.00 0.00 H new ATOM 557 N GLY A 37 -1.186 4.891 -10.806 1.00 0.00 N ATOM 558 CA GLY A 37 -0.610 5.016 -12.141 1.00 0.00 C ATOM 559 C GLY A 37 0.631 4.139 -12.328 1.00 0.00 C ATOM 560 O GLY A 37 0.991 3.833 -13.463 1.00 0.00 O ATOM 0 H GLY A 37 -1.721 4.036 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.359 4.743 -12.884 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.346 6.058 -12.323 1.00 0.00 H new ATOM 564 N ARG A 38 1.305 3.737 -11.245 1.00 0.00 N ATOM 565 CA ARG A 38 2.541 2.981 -11.336 1.00 0.00 C ATOM 566 C ARG A 38 2.227 1.487 -11.388 1.00 0.00 C ATOM 567 O ARG A 38 1.698 0.914 -10.438 1.00 0.00 O ATOM 568 CB ARG A 38 3.479 3.359 -10.182 1.00 0.00 C ATOM 569 CG ARG A 38 4.900 2.848 -10.470 1.00 0.00 C ATOM 570 CD ARG A 38 5.990 3.638 -9.730 1.00 0.00 C ATOM 571 NE ARG A 38 5.971 5.080 -10.052 1.00 0.00 N ATOM 572 CZ ARG A 38 6.295 5.646 -11.226 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.790 4.897 -12.216 1.00 0.00 N ATOM 574 NH2 ARG A 38 6.116 6.961 -11.403 1.00 0.00 N ATOM 0 H ARG A 38 1.004 3.929 -10.290 1.00 0.00 H new ATOM 0 HA ARG A 38 3.067 3.230 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.492 4.441 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.112 2.931 -9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.966 1.798 -10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.087 2.900 -11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.860 3.509 -8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.967 3.226 -9.985 1.00 0.00 H new ATOM 0 HE ARG A 38 5.682 5.711 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.922 3.895 -12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.036 5.328 -13.107 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.735 7.530 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.361 7.394 -12.294 1.00 0.00 H new ATOM 588 N LYS A 39 2.538 0.857 -12.522 1.00 0.00 N ATOM 589 CA LYS A 39 2.326 -0.567 -12.719 1.00 0.00 C ATOM 590 C LYS A 39 3.152 -1.388 -11.721 1.00 0.00 C ATOM 591 O LYS A 39 4.376 -1.279 -11.704 1.00 0.00 O ATOM 592 CB LYS A 39 2.593 -0.933 -14.185 1.00 0.00 C ATOM 593 CG LYS A 39 4.039 -0.669 -14.643 1.00 0.00 C ATOM 594 CD LYS A 39 4.091 0.040 -16.004 1.00 0.00 C ATOM 595 CE LYS A 39 3.500 -0.821 -17.131 1.00 0.00 C ATOM 596 NZ LYS A 39 3.502 -0.110 -18.427 1.00 0.00 N ATOM 0 H LYS A 39 2.946 1.328 -13.330 1.00 0.00 H new ATOM 0 HA LYS A 39 1.285 -0.817 -12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.363 -1.988 -14.333 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.912 -0.366 -14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.550 -0.060 -13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.578 -1.614 -14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.544 0.981 -15.943 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.125 0.288 -16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.074 -1.743 -17.222 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.479 -1.105 -16.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.096 -0.725 -19.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.934 0.757 -18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.478 0.138 -18.685 1.00 0.00 H new ATOM 610 N THR A 40 2.491 -2.192 -10.882 1.00 0.00 N ATOM 611 CA THR A 40 3.173 -3.104 -9.974 1.00 0.00 C ATOM 612 C THR A 40 3.610 -4.356 -10.733 1.00 0.00 C ATOM 613 O THR A 40 3.541 -4.417 -11.959 1.00 0.00 O ATOM 614 CB THR A 40 2.253 -3.409 -8.787 1.00 0.00 C ATOM 615 OG1 THR A 40 2.970 -3.826 -7.638 1.00 0.00 O ATOM 616 CG2 THR A 40 1.160 -4.437 -9.076 1.00 0.00 C ATOM 0 H THR A 40 1.474 -2.225 -10.817 1.00 0.00 H new ATOM 0 HA THR A 40 4.079 -2.650 -9.574 1.00 0.00 H new ATOM 0 HB THR A 40 1.766 -2.453 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.573 -4.650 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.558 -4.590 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.524 -4.074 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.618 -5.381 -9.371 1.00 0.00 H new ATOM 624 N GLY A 41 4.037 -5.376 -9.992 1.00 0.00 N ATOM 625 CA GLY A 41 4.410 -6.655 -10.575 1.00 0.00 C ATOM 626 C GLY A 41 5.856 -6.642 -11.091 1.00 0.00 C ATOM 627 O GLY A 41 6.298 -7.608 -11.709 1.00 0.00 O ATOM 0 H GLY A 41 4.133 -5.336 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.296 -7.442 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.733 -6.893 -11.395 1.00 0.00 H new ATOM 631 N GLN A 42 6.603 -5.563 -10.826 1.00 0.00 N ATOM 632 CA GLN A 42 7.947 -5.343 -11.339 1.00 0.00 C ATOM 633 C GLN A 42 8.702 -4.428 -10.367 1.00 0.00 C ATOM 634 O GLN A 42 8.900 -3.245 -10.629 1.00 0.00 O ATOM 635 CB GLN A 42 7.859 -4.748 -12.754 1.00 0.00 C ATOM 636 CG GLN A 42 9.227 -4.736 -13.449 1.00 0.00 C ATOM 637 CD GLN A 42 9.209 -3.912 -14.733 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.216 -3.881 -15.455 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.307 -3.224 -15.033 1.00 0.00 N ATOM 0 H GLN A 42 6.274 -4.802 -10.232 1.00 0.00 H new ATOM 0 HA GLN A 42 8.497 -6.281 -11.413 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.153 -5.327 -13.349 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.470 -3.731 -12.698 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.976 -4.330 -12.769 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.526 -5.759 -13.679 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.119 -3.266 -14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.337 -2.655 -15.879 1.00 0.00 H new ATOM 648 N ALA A 43 9.109 -4.975 -9.220 1.00 0.00 N ATOM 649 CA ALA A 43 9.922 -4.248 -8.250 1.00 0.00 C ATOM 650 C ALA A 43 11.373 -4.144 -8.739 1.00 0.00 C ATOM 651 O ALA A 43 11.784 -4.960 -9.561 1.00 0.00 O ATOM 652 CB ALA A 43 9.891 -5.008 -6.928 1.00 0.00 C ATOM 0 H ALA A 43 8.884 -5.930 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 43 9.523 -3.242 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.494 -4.479 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.863 -5.079 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.294 -6.010 -7.075 1.00 0.00 H new ATOM 658 N PRO A 44 12.166 -3.196 -8.210 1.00 0.00 N ATOM 659 CA PRO A 44 13.586 -3.097 -8.508 1.00 0.00 C ATOM 660 C PRO A 44 14.372 -4.275 -7.926 1.00 0.00 C ATOM 661 O PRO A 44 14.705 -5.220 -8.635 1.00 0.00 O ATOM 662 CB PRO A 44 14.024 -1.724 -7.983 1.00 0.00 C ATOM 663 CG PRO A 44 12.997 -1.382 -6.900 1.00 0.00 C ATOM 664 CD PRO A 44 11.727 -2.084 -7.378 1.00 0.00 C ATOM 0 HA PRO A 44 13.791 -3.163 -9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.034 -1.759 -7.575 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.027 -0.978 -8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.311 -1.743 -5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.851 -0.305 -6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.137 -2.439 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.094 -1.401 -7.944 1.00 0.00 H new ATOM 672 N GLY A 45 14.695 -4.199 -6.637 1.00 0.00 N ATOM 673 CA GLY A 45 15.564 -5.144 -5.949 1.00 0.00 C ATOM 674 C GLY A 45 14.957 -5.528 -4.604 1.00 0.00 C ATOM 675 O GLY A 45 15.308 -4.950 -3.575 1.00 0.00 O ATOM 0 H GLY A 45 14.349 -3.458 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.704 -6.035 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.549 -4.702 -5.800 1.00 0.00 H new ATOM 679 N PHE A 46 14.018 -6.478 -4.624 1.00 0.00 N ATOM 680 CA PHE A 46 13.294 -6.982 -3.457 1.00 0.00 C ATOM 681 C PHE A 46 12.202 -7.936 -3.950 1.00 0.00 C ATOM 682 O PHE A 46 12.239 -9.129 -3.661 1.00 0.00 O ATOM 683 CB PHE A 46 12.742 -5.813 -2.611 1.00 0.00 C ATOM 684 CG PHE A 46 11.421 -6.040 -1.895 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.330 -6.898 -0.782 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.259 -5.415 -2.385 1.00 0.00 C ATOM 687 CE1 PHE A 46 10.080 -7.126 -0.173 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.019 -5.657 -1.779 1.00 0.00 C ATOM 689 CZ PHE A 46 8.931 -6.489 -0.657 1.00 0.00 C ATOM 0 H PHE A 46 13.731 -6.935 -5.490 1.00 0.00 H new ATOM 0 HA PHE A 46 13.960 -7.536 -2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.492 -5.553 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.629 -4.947 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.216 -7.380 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.323 -4.747 -3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.008 -7.795 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.127 -5.199 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.981 -6.639 -0.167 1.00 0.00 H new ATOM 699 N THR A 47 11.269 -7.385 -4.729 1.00 0.00 N ATOM 700 CA THR A 47 10.028 -8.009 -5.174 1.00 0.00 C ATOM 701 C THR A 47 9.267 -8.784 -4.090 1.00 0.00 C ATOM 702 O THR A 47 9.527 -8.653 -2.897 1.00 0.00 O ATOM 703 CB THR A 47 10.177 -8.727 -6.527 1.00 0.00 C ATOM 704 OG1 THR A 47 8.899 -8.824 -7.139 1.00 0.00 O ATOM 705 CG2 THR A 47 10.805 -10.113 -6.413 1.00 0.00 C ATOM 0 H THR A 47 11.369 -6.435 -5.086 1.00 0.00 H new ATOM 0 HA THR A 47 9.343 -7.185 -5.375 1.00 0.00 H new ATOM 0 HB THR A 47 10.858 -8.133 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.008 -8.974 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.880 -10.561 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.801 -10.027 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.184 -10.743 -5.776 1.00 0.00 H new ATOM 713 N TYR A 48 8.235 -9.505 -4.520 1.00 0.00 N ATOM 714 CA TYR A 48 7.165 -9.965 -3.655 1.00 0.00 C ATOM 715 C TYR A 48 6.755 -11.400 -3.984 1.00 0.00 C ATOM 716 O TYR A 48 7.367 -12.050 -4.830 1.00 0.00 O ATOM 717 CB TYR A 48 5.976 -8.996 -3.727 1.00 0.00 C ATOM 718 CG TYR A 48 6.006 -7.912 -4.783 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.631 -6.688 -4.509 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.266 -8.061 -5.962 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.591 -5.642 -5.447 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.161 -6.993 -6.866 1.00 0.00 C ATOM 723 CZ TYR A 48 5.883 -5.814 -6.651 1.00 0.00 C ATOM 724 OH TYR A 48 6.034 -4.930 -7.677 1.00 0.00 O ATOM 0 H TYR A 48 8.122 -9.787 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 48 7.530 -9.976 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.073 -9.587 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.880 -8.513 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.147 -6.547 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.775 -8.999 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.101 -4.712 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.520 -7.081 -7.731 1.00 0.00 H new ATOM 0 HH TYR A 48 6.937 -4.551 -7.652 1.00 0.00 H new ATOM 734 N THR A 49 5.716 -11.892 -3.304 1.00 0.00 N ATOM 735 CA THR A 49 5.121 -13.184 -3.652 1.00 0.00 C ATOM 736 C THR A 49 4.606 -13.138 -5.087 1.00 0.00 C ATOM 737 O THR A 49 4.071 -12.114 -5.502 1.00 0.00 O ATOM 738 CB THR A 49 3.952 -13.542 -2.725 1.00 0.00 C ATOM 739 OG1 THR A 49 3.010 -12.485 -2.621 1.00 0.00 O ATOM 740 CG2 THR A 49 4.431 -14.062 -1.367 1.00 0.00 C ATOM 0 H THR A 49 5.273 -11.420 -2.516 1.00 0.00 H new ATOM 0 HA THR A 49 5.896 -13.943 -3.541 1.00 0.00 H new ATOM 0 HB THR A 49 3.417 -14.372 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.328 -12.585 -3.318 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.569 -14.302 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.035 -14.958 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.031 -13.296 -0.875 1.00 0.00 H new ATOM 748 N ASP A 50 4.707 -14.248 -5.826 1.00 0.00 N ATOM 749 CA ASP A 50 4.254 -14.305 -7.215 1.00 0.00 C ATOM 750 C ASP A 50 2.769 -13.990 -7.353 1.00 0.00 C ATOM 751 O ASP A 50 2.348 -13.453 -8.366 1.00 0.00 O ATOM 752 CB ASP A 50 4.659 -15.623 -7.891 1.00 0.00 C ATOM 753 CG ASP A 50 5.375 -15.314 -9.200 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.601 -15.075 -9.156 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.723 -15.181 -10.254 1.00 0.00 O ATOM 0 H ASP A 50 5.101 -15.123 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 50 4.772 -13.513 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.310 -16.198 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.777 -16.235 -8.080 1.00 0.00 H new ATOM 760 N ALA A 51 1.971 -14.232 -6.316 1.00 0.00 N ATOM 761 CA ALA A 51 0.576 -13.820 -6.311 1.00 0.00 C ATOM 762 C ALA A 51 0.414 -12.300 -6.459 1.00 0.00 C ATOM 763 O ALA A 51 -0.539 -11.846 -7.095 1.00 0.00 O ATOM 764 CB ALA A 51 -0.084 -14.356 -5.037 1.00 0.00 C ATOM 0 H ALA A 51 2.271 -14.713 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 51 0.074 -14.244 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.132 -14.056 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.017 -15.444 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.427 -13.950 -4.164 1.00 0.00 H new ATOM 770 N ASN A 52 1.336 -11.511 -5.896 1.00 0.00 N ATOM 771 CA ASN A 52 1.355 -10.059 -6.073 1.00 0.00 C ATOM 772 C ASN A 52 2.190 -9.678 -7.302 1.00 0.00 C ATOM 773 O ASN A 52 1.882 -8.708 -7.991 1.00 0.00 O ATOM 774 CB ASN A 52 1.867 -9.381 -4.794 1.00 0.00 C ATOM 775 CG ASN A 52 1.580 -7.875 -4.752 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.861 -7.397 -3.883 1.00 0.00 O ATOM 777 ND2 ASN A 52 2.123 -7.089 -5.676 1.00 0.00 N ATOM 0 H ASN A 52 2.089 -11.863 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 52 0.340 -9.704 -6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.405 -9.857 -3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.942 -9.542 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.941 -6.085 -5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.721 -7.489 -6.399 1.00 0.00 H new ATOM 784 N LYS A 53 3.265 -10.413 -7.593 1.00 0.00 N ATOM 785 CA LYS A 53 4.165 -10.118 -8.702 1.00 0.00 C ATOM 786 C LYS A 53 3.403 -10.276 -10.012 1.00 0.00 C ATOM 787 O LYS A 53 3.526 -9.477 -10.933 1.00 0.00 O ATOM 788 CB LYS A 53 5.375 -11.049 -8.680 1.00 0.00 C ATOM 789 CG LYS A 53 6.546 -10.519 -9.521 1.00 0.00 C ATOM 790 CD LYS A 53 7.346 -11.704 -10.080 1.00 0.00 C ATOM 791 CE LYS A 53 6.630 -12.310 -11.304 1.00 0.00 C ATOM 792 NZ LYS A 53 6.884 -13.758 -11.442 1.00 0.00 N ATOM 0 H LYS A 53 3.535 -11.238 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 53 4.528 -9.095 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.705 -11.185 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.080 -12.030 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.172 -9.900 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.190 -9.886 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.346 -11.374 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.467 -12.465 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.557 -12.138 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.962 -11.798 -12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.001 -14.242 -11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.596 -13.916 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.235 -14.137 -10.539 1.00 0.00 H new ATOM 806 N ASN A 54 2.587 -11.324 -10.072 1.00 0.00 N ATOM 807 CA ASN A 54 1.763 -11.639 -11.215 1.00 0.00 C ATOM 808 C ASN A 54 0.697 -10.558 -11.446 1.00 0.00 C ATOM 809 O ASN A 54 0.069 -10.527 -12.500 1.00 0.00 O ATOM 810 CB ASN A 54 1.097 -13.004 -11.006 1.00 0.00 C ATOM 811 CG ASN A 54 0.232 -13.411 -12.195 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.735 -13.610 -13.296 1.00 0.00 O ATOM 813 ND2 ASN A 54 -1.075 -13.554 -11.987 1.00 0.00 N ATOM 0 H ASN A 54 2.484 -11.988 -9.305 1.00 0.00 H new ATOM 0 HA ASN A 54 2.398 -11.675 -12.100 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.865 -13.760 -10.842 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.483 -12.973 -10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.686 -13.836 -12.754 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.466 -13.382 -11.061 1.00 0.00 H new ATOM 820 N LYS A 55 0.424 -9.711 -10.442 1.00 0.00 N ATOM 821 CA LYS A 55 -0.821 -8.953 -10.399 1.00 0.00 C ATOM 822 C LYS A 55 -0.871 -7.890 -11.500 1.00 0.00 C ATOM 823 O LYS A 55 -1.912 -7.700 -12.123 1.00 0.00 O ATOM 824 CB LYS A 55 -1.022 -8.356 -8.996 1.00 0.00 C ATOM 825 CG LYS A 55 -2.492 -8.108 -8.621 1.00 0.00 C ATOM 826 CD LYS A 55 -3.226 -9.417 -8.282 1.00 0.00 C ATOM 827 CE LYS A 55 -4.563 -9.131 -7.577 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.251 -10.370 -7.151 1.00 0.00 N ATOM 0 H LYS A 55 1.050 -9.539 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.652 -9.630 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.580 -9.028 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.479 -7.413 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.540 -7.433 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.999 -7.611 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.406 -9.984 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.598 -10.035 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.384 -8.500 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.213 -8.570 -8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.574 -10.267 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.070 -10.542 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.593 -11.173 -7.217 1.00 0.00 H new ATOM 842 N GLY A 56 0.245 -7.186 -11.719 1.00 0.00 N ATOM 843 CA GLY A 56 0.417 -6.249 -12.827 1.00 0.00 C ATOM 844 C GLY A 56 -0.650 -5.149 -12.904 1.00 0.00 C ATOM 845 O GLY A 56 -0.897 -4.601 -13.975 1.00 0.00 O ATOM 0 H GLY A 56 1.067 -7.255 -11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.397 -5.781 -12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.412 -6.808 -13.763 1.00 0.00 H new ATOM 849 N ILE A 57 -1.265 -4.803 -11.771 1.00 0.00 N ATOM 850 CA ILE A 57 -2.214 -3.707 -11.670 1.00 0.00 C ATOM 851 C ILE A 57 -1.468 -2.383 -11.569 1.00 0.00 C ATOM 852 O ILE A 57 -0.246 -2.353 -11.636 1.00 0.00 O ATOM 853 CB ILE A 57 -3.127 -3.902 -10.453 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.340 -4.148 -9.160 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.138 -5.019 -10.737 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.143 -3.675 -7.953 1.00 0.00 C ATOM 0 H ILE A 57 -1.111 -5.288 -10.887 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.835 -3.693 -12.566 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.674 -2.974 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.113 -5.209 -9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.387 -3.621 -9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.784 -5.154 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.744 -4.750 -11.603 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.606 -5.948 -10.941 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.572 -3.856 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.347 -2.608 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.085 -4.222 -7.905 1.00 0.00 H new ATOM 868 N THR A 58 -2.202 -1.285 -11.401 1.00 0.00 N ATOM 869 CA THR A 58 -1.696 0.074 -11.501 1.00 0.00 C ATOM 870 C THR A 58 -1.947 0.844 -10.194 1.00 0.00 C ATOM 871 O THR A 58 -2.150 2.059 -10.222 1.00 0.00 O ATOM 872 CB THR A 58 -2.399 0.672 -12.730 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.479 -0.309 -13.752 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.663 1.880 -13.288 1.00 0.00 C ATOM 0 H THR A 58 -3.198 -1.323 -11.184 1.00 0.00 H new ATOM 0 HA THR A 58 -0.615 0.124 -11.634 1.00 0.00 H new ATOM 0 HB THR A 58 -3.390 0.992 -12.408 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.929 0.071 -14.536 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.200 2.265 -14.155 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.604 2.655 -12.524 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.656 1.587 -13.586 1.00 0.00 H new ATOM 882 N TRP A 59 -1.966 0.096 -9.076 1.00 0.00 N ATOM 883 CA TRP A 59 -2.312 0.513 -7.718 1.00 0.00 C ATOM 884 C TRP A 59 -3.145 1.790 -7.676 1.00 0.00 C ATOM 885 O TRP A 59 -2.707 2.820 -7.171 1.00 0.00 O ATOM 886 CB TRP A 59 -1.057 0.557 -6.836 1.00 0.00 C ATOM 887 CG TRP A 59 -0.556 -0.790 -6.415 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.683 -1.263 -6.649 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.249 -1.846 -5.678 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.763 -2.579 -6.243 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.398 -2.989 -5.620 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.512 -1.958 -5.055 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.788 -4.187 -5.000 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.901 -3.143 -4.407 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.044 -4.258 -4.379 1.00 0.00 C ATOM 0 H TRP A 59 -1.719 -0.893 -9.109 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.973 -0.242 -7.293 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.264 1.074 -7.377 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.273 1.147 -5.945 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.492 -0.698 -7.088 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.579 -3.175 -6.386 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.191 -1.118 -5.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.129 -5.043 -5.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.867 -3.198 -3.926 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.352 -5.166 -3.881 1.00 0.00 H new ATOM 906 N LYS A 60 -4.368 1.688 -8.200 1.00 0.00 N ATOM 907 CA LYS A 60 -5.287 2.804 -8.326 1.00 0.00 C ATOM 908 C LYS A 60 -6.295 2.795 -7.166 1.00 0.00 C ATOM 909 O LYS A 60 -6.343 1.836 -6.382 1.00 0.00 O ATOM 910 CB LYS A 60 -5.974 2.757 -9.699 1.00 0.00 C ATOM 911 CG LYS A 60 -6.540 1.376 -10.064 1.00 0.00 C ATOM 912 CD LYS A 60 -7.496 1.524 -11.252 1.00 0.00 C ATOM 913 CE LYS A 60 -7.968 0.158 -11.772 1.00 0.00 C ATOM 914 NZ LYS A 60 -9.222 0.268 -12.550 1.00 0.00 N ATOM 0 H LYS A 60 -4.747 0.809 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.739 3.744 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.784 3.487 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.258 3.059 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.730 0.692 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.065 0.947 -9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.359 2.118 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.998 2.067 -12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.190 -0.281 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.121 -0.518 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.142 -0.298 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.017 -0.085 -11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.390 1.264 -12.799 1.00 0.00 H new ATOM 928 N GLU A 61 -7.122 3.849 -7.100 1.00 0.00 N ATOM 929 CA GLU A 61 -8.117 4.148 -6.060 1.00 0.00 C ATOM 930 C GLU A 61 -9.360 3.248 -6.118 1.00 0.00 C ATOM 931 O GLU A 61 -10.491 3.704 -5.977 1.00 0.00 O ATOM 932 CB GLU A 61 -8.454 5.656 -6.085 1.00 0.00 C ATOM 933 CG GLU A 61 -8.981 6.218 -7.422 1.00 0.00 C ATOM 934 CD GLU A 61 -8.588 7.685 -7.598 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.428 7.902 -8.008 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.388 8.585 -7.247 1.00 0.00 O ATOM 0 H GLU A 61 -7.112 4.567 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.672 3.911 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.199 5.853 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.557 6.211 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.582 5.630 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.066 6.123 -7.457 1.00 0.00 H new ATOM 943 N GLU A 62 -9.113 1.950 -6.279 1.00 0.00 N ATOM 944 CA GLU A 62 -10.086 0.875 -6.352 1.00 0.00 C ATOM 945 C GLU A 62 -9.379 -0.345 -5.758 1.00 0.00 C ATOM 946 O GLU A 62 -9.767 -0.913 -4.737 1.00 0.00 O ATOM 947 CB GLU A 62 -10.470 0.605 -7.824 1.00 0.00 C ATOM 948 CG GLU A 62 -10.661 1.846 -8.712 1.00 0.00 C ATOM 949 CD GLU A 62 -10.835 1.458 -10.176 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.833 0.243 -10.479 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.772 2.338 -11.056 1.00 0.00 O ATOM 0 H GLU A 62 -8.158 1.603 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.005 1.116 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.698 -0.021 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.395 0.028 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.534 2.406 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.800 2.506 -8.608 1.00 0.00 H new ATOM 958 N THR A 63 -8.264 -0.692 -6.405 1.00 0.00 N ATOM 959 CA THR A 63 -7.439 -1.835 -6.108 1.00 0.00 C ATOM 960 C THR A 63 -6.820 -1.676 -4.726 1.00 0.00 C ATOM 961 O THR A 63 -6.813 -2.622 -3.939 1.00 0.00 O ATOM 962 CB THR A 63 -6.387 -1.963 -7.220 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.888 -0.693 -7.626 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.024 -2.602 -8.458 1.00 0.00 C ATOM 0 H THR A 63 -7.905 -0.146 -7.189 1.00 0.00 H new ATOM 0 HA THR A 63 -8.024 -2.754 -6.083 1.00 0.00 H new ATOM 0 HB THR A 63 -5.574 -2.568 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.459 -0.251 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.277 -2.692 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.403 -3.591 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.846 -1.978 -8.807 1.00 0.00 H new ATOM 972 N LEU A 64 -6.329 -0.470 -4.417 1.00 0.00 N ATOM 973 CA LEU A 64 -5.826 -0.193 -3.090 1.00 0.00 C ATOM 974 C LEU A 64 -6.922 -0.422 -2.058 1.00 0.00 C ATOM 975 O LEU A 64 -6.672 -1.038 -1.037 1.00 0.00 O ATOM 976 CB LEU A 64 -5.329 1.253 -3.004 1.00 0.00 C ATOM 977 CG LEU A 64 -3.798 1.356 -2.962 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.277 1.911 -4.279 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.345 2.271 -1.825 1.00 0.00 C ATOM 0 H LEU A 64 -6.274 0.314 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.994 -0.867 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.702 1.812 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.744 1.722 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.398 0.356 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.190 1.981 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.569 1.249 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.698 2.902 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.257 2.328 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.759 3.268 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.695 1.870 -0.874 1.00 0.00 H new ATOM 991 N MET A 65 -8.126 0.089 -2.298 1.00 0.00 N ATOM 992 CA MET A 65 -9.194 0.032 -1.320 1.00 0.00 C ATOM 993 C MET A 65 -9.519 -1.427 -0.988 1.00 0.00 C ATOM 994 O MET A 65 -9.565 -1.811 0.183 1.00 0.00 O ATOM 995 CB MET A 65 -10.393 0.823 -1.852 1.00 0.00 C ATOM 996 CG MET A 65 -11.248 1.325 -0.686 1.00 0.00 C ATOM 997 SD MET A 65 -12.483 2.587 -1.084 1.00 0.00 S ATOM 998 CE MET A 65 -11.402 3.885 -1.727 1.00 0.00 C ATOM 0 H MET A 65 -8.382 0.550 -3.171 1.00 0.00 H new ATOM 0 HA MET A 65 -8.893 0.495 -0.380 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.047 1.666 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.993 0.193 -2.508 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.761 0.470 -0.245 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.583 1.726 0.079 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.914 4.845 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.489 3.926 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.149 3.667 -2.765 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.698 -2.243 -2.032 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.988 -3.663 -1.879 1.00 0.00 C ATOM 1010 C GLU A 66 -8.868 -4.360 -1.089 1.00 0.00 C ATOM 1011 O GLU A 66 -9.109 -5.028 -0.081 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.187 -4.267 -3.282 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.795 -5.679 -3.277 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.298 -5.716 -3.015 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.836 -4.698 -2.529 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.883 -6.773 -3.330 1.00 0.00 O ATOM 0 H GLU A 66 -9.645 -1.934 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.902 -3.811 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.833 -3.607 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.224 -4.299 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.594 -6.152 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.291 -6.276 -2.517 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.623 -4.179 -1.541 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.442 -4.781 -0.927 1.00 0.00 C ATOM 1025 C TYR A 67 -6.351 -4.419 0.550 1.00 0.00 C ATOM 1026 O TYR A 67 -6.224 -5.289 1.399 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.216 -4.267 -1.679 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.870 -4.831 -1.257 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.669 -6.221 -1.184 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.775 -3.967 -1.076 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.392 -6.745 -0.935 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.502 -4.492 -0.806 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.305 -5.881 -0.747 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.075 -6.397 -0.489 1.00 0.00 O ATOM 0 H TYR A 67 -7.408 -3.602 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.502 -5.868 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.355 -4.476 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.180 -3.183 -1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.505 -6.891 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.914 -2.898 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.247 -7.814 -0.888 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.669 -3.824 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 67 0.302 -5.963 0.304 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.398 -3.129 0.855 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.266 -2.630 2.211 1.00 0.00 C ATOM 1046 C LEU A 68 -7.410 -3.111 3.097 1.00 0.00 C ATOM 1047 O LEU A 68 -7.164 -3.388 4.268 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.118 -1.100 2.246 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.675 -0.583 2.079 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.724 -1.251 3.073 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.106 -0.741 0.667 1.00 0.00 C ATOM 0 H LEU A 68 -6.530 -2.395 0.159 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.345 -3.045 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.735 -0.672 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.512 -0.733 3.194 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.746 0.486 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.715 -0.864 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.052 -1.037 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.726 -2.329 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.088 -0.352 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.099 -1.796 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.725 -0.187 -0.039 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.634 -3.249 2.571 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.675 -3.880 3.380 1.00 0.00 C ATOM 1065 C GLU A 69 -9.243 -5.310 3.720 1.00 0.00 C ATOM 1066 O GLU A 69 -9.312 -5.738 4.872 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.052 -3.892 2.689 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.148 -4.176 3.741 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.289 -5.062 3.246 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.055 -6.282 3.143 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.394 -4.512 3.025 1.00 0.00 O ATOM 0 H GLU A 69 -8.916 -2.949 1.638 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.792 -3.287 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.237 -2.934 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.074 -4.653 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.687 -4.650 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.563 -3.227 4.080 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.847 -6.068 2.692 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.832 -7.519 2.772 1.00 0.00 C ATOM 1080 C ASN A 70 -7.718 -8.099 1.892 1.00 0.00 C ATOM 1081 O ASN A 70 -7.980 -8.712 0.859 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.239 -8.010 2.381 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.825 -8.946 3.430 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.218 -9.955 3.782 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.007 -8.624 3.944 1.00 0.00 N ATOM 0 H ASN A 70 -8.534 -5.693 1.797 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.607 -7.864 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.899 -7.153 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.190 -8.525 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.435 -9.221 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.486 -7.780 3.631 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.445 -7.949 2.277 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.334 -8.180 1.367 1.00 0.00 C ATOM 1094 C PRO A 71 -5.209 -9.661 1.028 1.00 0.00 C ATOM 1095 O PRO A 71 -5.029 -10.037 -0.129 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.098 -7.608 2.066 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.471 -7.624 3.549 1.00 0.00 C ATOM 1098 CD PRO A 71 -5.991 -7.445 3.558 1.00 0.00 C ATOM 0 HA PRO A 71 -5.475 -7.688 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.213 -8.213 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.876 -6.598 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.178 -8.561 4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.973 -6.822 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.447 -7.996 4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.263 -6.397 3.687 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.365 -10.503 2.050 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.358 -11.948 1.929 1.00 0.00 C ATOM 1108 C LYS A 72 -6.571 -12.473 1.142 1.00 0.00 C ATOM 1109 O LYS A 72 -6.607 -13.657 0.816 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.292 -12.542 3.343 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.985 -12.146 4.048 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.946 -12.720 5.471 1.00 0.00 C ATOM 1113 CE LYS A 72 -2.684 -12.298 6.240 1.00 0.00 C ATOM 1114 NZ LYS A 72 -1.431 -12.728 5.577 1.00 0.00 N ATOM 0 H LYS A 72 -5.503 -10.182 3.008 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.485 -12.260 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.144 -12.194 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.365 -13.628 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.132 -12.513 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.900 -11.060 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.829 -12.388 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.991 -13.808 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.677 -11.213 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.720 -12.719 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.740 -13.022 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.631 -13.527 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.041 -11.937 5.025 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.567 -11.623 0.851 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.662 -11.949 -0.043 1.00 0.00 C ATOM 1130 C LYS A 73 -8.276 -11.504 -1.455 1.00 0.00 C ATOM 1131 O LYS A 73 -8.293 -12.307 -2.384 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.936 -11.238 0.443 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.032 -12.210 0.897 1.00 0.00 C ATOM 1134 CD LYS A 73 -10.775 -12.672 2.340 1.00 0.00 C ATOM 1135 CE LYS A 73 -11.093 -14.160 2.522 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.027 -14.558 3.944 1.00 0.00 N ATOM 0 H LYS A 73 -7.625 -10.682 1.240 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.858 -13.021 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.682 -10.575 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.324 -10.612 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.006 -11.726 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.060 -13.073 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.733 -12.488 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.385 -12.083 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.088 -14.371 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.389 -14.757 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.247 -15.571 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.070 -14.379 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.717 -14.005 4.492 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.921 -10.222 -1.614 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.571 -9.619 -2.889 1.00 0.00 C ATOM 1152 C TYR A 74 -6.501 -10.422 -3.629 1.00 0.00 C ATOM 1153 O TYR A 74 -6.531 -10.528 -4.859 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.081 -8.195 -2.619 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.813 -7.379 -3.866 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.865 -7.108 -4.757 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.508 -6.955 -4.181 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.610 -6.457 -5.973 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.253 -6.291 -5.391 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.302 -6.069 -6.297 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.021 -5.661 -7.563 1.00 0.00 O ATOM 0 H TYR A 74 -7.871 -9.566 -0.834 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.451 -9.608 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.824 -7.677 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.166 -8.244 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.873 -7.402 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.700 -7.141 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.420 -6.255 -6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.254 -5.952 -5.624 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.835 -5.701 -8.108 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.526 -10.948 -2.881 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.460 -11.797 -3.393 1.00 0.00 C ATOM 1173 C ILE A 75 -4.411 -13.086 -2.553 1.00 0.00 C ATOM 1174 O ILE A 75 -4.196 -13.012 -1.341 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.132 -11.020 -3.363 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.164 -9.856 -4.365 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.963 -11.945 -3.730 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.032 -8.849 -4.156 1.00 0.00 C ATOM 0 H ILE A 75 -5.460 -10.787 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.644 -12.080 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.996 -10.632 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.104 -10.255 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.120 -9.340 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.031 -11.381 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.910 -12.766 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.117 -12.346 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.112 -8.053 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.104 -8.423 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.072 -9.353 -4.268 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.583 -14.273 -3.168 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.602 -15.541 -2.455 1.00 0.00 C ATOM 1192 C PRO A 76 -3.184 -15.938 -2.032 1.00 0.00 C ATOM 1193 O PRO A 76 -2.555 -16.787 -2.659 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.226 -16.541 -3.436 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.782 -16.006 -4.796 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.817 -14.492 -4.589 1.00 0.00 C ATOM 0 HA PRO A 76 -5.178 -15.498 -1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.865 -17.555 -3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.312 -16.569 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.784 -16.355 -5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.454 -16.321 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.053 -13.999 -5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.779 -14.079 -4.894 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.687 -15.328 -0.955 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.382 -15.646 -0.385 1.00 0.00 C ATOM 1206 C GLY A 77 -0.346 -14.635 -0.861 1.00 0.00 C ATOM 1207 O GLY A 77 0.559 -14.960 -1.625 1.00 0.00 O ATOM 0 H GLY A 77 -3.185 -14.594 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.439 -15.636 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.083 -16.652 -0.679 1.00 0.00 H new ATOM 1211 N THR A 78 -0.498 -13.398 -0.392 1.00 0.00 N ATOM 1212 CA THR A 78 0.399 -12.295 -0.663 1.00 0.00 C ATOM 1213 C THR A 78 1.497 -12.307 0.412 1.00 0.00 C ATOM 1214 O THR A 78 1.341 -12.962 1.445 1.00 0.00 O ATOM 1215 CB THR A 78 -0.460 -11.023 -0.713 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.070 -10.012 -1.536 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.889 -10.490 0.654 1.00 0.00 C ATOM 0 H THR A 78 -1.280 -13.135 0.208 1.00 0.00 H new ATOM 0 HA THR A 78 0.919 -12.360 -1.619 1.00 0.00 H new ATOM 0 HB THR A 78 -1.380 -11.358 -1.193 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.526 -9.234 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.491 -9.591 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.477 -11.248 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.005 -10.251 1.245 1.00 0.00 H new ATOM 1225 N LYS A 79 2.605 -11.601 0.192 1.00 0.00 N ATOM 1226 CA LYS A 79 3.691 -11.506 1.161 1.00 0.00 C ATOM 1227 C LYS A 79 3.252 -10.631 2.340 1.00 0.00 C ATOM 1228 O LYS A 79 3.720 -10.823 3.459 1.00 0.00 O ATOM 1229 CB LYS A 79 4.954 -10.956 0.472 1.00 0.00 C ATOM 1230 CG LYS A 79 6.257 -11.268 1.219 1.00 0.00 C ATOM 1231 CD LYS A 79 7.434 -10.658 0.440 1.00 0.00 C ATOM 1232 CE LYS A 79 8.807 -10.992 1.042 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.288 -12.328 0.635 1.00 0.00 N ATOM 0 H LYS A 79 2.773 -11.078 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 79 3.933 -12.494 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.016 -11.370 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.857 -9.875 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.220 -10.859 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.387 -12.346 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.401 -11.014 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.315 -9.575 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.530 -10.238 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.745 -10.946 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.217 -12.508 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.613 -13.052 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.373 -12.366 -0.401 1.00 0.00 H new ATOM 1247 N MET A 80 2.386 -9.649 2.080 1.00 0.00 N ATOM 1248 CA MET A 80 1.850 -8.716 3.055 1.00 0.00 C ATOM 1249 C MET A 80 1.007 -9.446 4.101 1.00 0.00 C ATOM 1250 O MET A 80 0.243 -10.374 3.819 1.00 0.00 O ATOM 1251 CB MET A 80 1.052 -7.637 2.318 1.00 0.00 C ATOM 1252 CG MET A 80 0.465 -6.498 3.158 1.00 0.00 C ATOM 1253 SD MET A 80 0.362 -4.932 2.246 1.00 0.00 S ATOM 1254 CE MET A 80 -1.323 -4.338 2.548 1.00 0.00 C ATOM 0 H MET A 80 2.028 -9.481 1.140 1.00 0.00 H new ATOM 0 HA MET A 80 2.664 -8.235 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.700 -7.197 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.232 -8.125 1.792 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.531 -6.780 3.499 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.078 -6.355 4.048 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.473 -3.390 2.031 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.039 -5.071 2.177 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.472 -4.195 3.618 1.00 0.00 H new ATOM 1264 N ILE A 81 1.171 -9.009 5.345 1.00 0.00 N ATOM 1265 CA ILE A 81 0.628 -9.649 6.524 1.00 0.00 C ATOM 1266 C ILE A 81 -0.219 -8.601 7.233 1.00 0.00 C ATOM 1267 O ILE A 81 0.278 -7.883 8.099 1.00 0.00 O ATOM 1268 CB ILE A 81 1.782 -10.159 7.401 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.817 -11.013 6.647 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.249 -10.914 8.627 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.265 -12.302 6.028 1.00 0.00 C ATOM 0 H ILE A 81 1.706 -8.168 5.561 1.00 0.00 H new ATOM 0 HA ILE A 81 0.010 -10.514 6.284 1.00 0.00 H new ATOM 0 HB ILE A 81 2.314 -9.266 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.258 -10.407 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.621 -11.273 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.086 -11.264 9.231 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.626 -10.247 9.223 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.656 -11.768 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.069 -12.834 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.851 -12.935 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.482 -12.055 5.311 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.484 -8.463 6.829 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.329 -7.413 7.361 1.00 0.00 C ATOM 1285 C PHE A 82 -3.801 -7.747 7.153 1.00 0.00 C ATOM 1286 O PHE A 82 -4.121 -8.749 6.511 1.00 0.00 O ATOM 1287 CB PHE A 82 -1.946 -6.083 6.698 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.106 -4.895 7.610 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.257 -4.759 8.725 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.071 -3.913 7.336 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.331 -3.611 9.530 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.150 -2.774 8.149 1.00 0.00 C ATOM 1293 CZ PHE A 82 -2.267 -2.609 9.228 1.00 0.00 C ATOM 0 H PHE A 82 -1.935 -9.065 6.140 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.176 -7.324 8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.911 -6.137 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.562 -5.937 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.548 -5.539 8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.748 -4.034 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.671 -3.499 10.378 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.894 -2.019 7.944 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.308 -1.711 9.826 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.671 -6.901 7.705 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.117 -6.963 7.589 1.00 0.00 C ATOM 1305 C ALA A 83 -6.659 -5.565 7.919 1.00 0.00 C ATOM 1306 O ALA A 83 -6.244 -4.594 7.293 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.650 -8.069 8.505 1.00 0.00 C ATOM 0 H ALA A 83 -4.363 -6.113 8.275 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.449 -7.223 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.736 -8.119 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.219 -9.025 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.376 -7.850 9.537 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.539 -5.446 8.919 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.125 -4.171 9.303 1.00 0.00 C ATOM 1315 C GLY A 84 -7.107 -3.209 9.923 1.00 0.00 C ATOM 1316 O GLY A 84 -5.982 -3.584 10.249 1.00 0.00 O ATOM 0 H GLY A 84 -7.861 -6.234 9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.572 -3.703 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.931 -4.347 10.015 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.540 -1.958 10.107 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.725 -0.853 10.613 1.00 0.00 C ATOM 1322 C ILE A 85 -7.566 0.141 11.425 1.00 0.00 C ATOM 1323 O ILE A 85 -7.126 0.599 12.482 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.934 -0.200 9.462 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -5.236 1.092 9.920 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.787 0.063 8.215 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -4.053 1.449 9.017 1.00 0.00 C ATOM 0 H ILE A 85 -8.499 -1.679 9.901 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.989 -1.246 11.314 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.173 -0.927 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.954 1.912 9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.887 0.973 10.946 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.171 0.523 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.189 -0.880 7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.608 0.732 8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.587 2.367 9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.323 0.640 9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.406 1.594 7.996 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.778 0.456 10.953 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.819 1.092 11.750 1.00 0.00 C ATOM 1341 C LYS A 86 -11.141 0.338 11.589 1.00 0.00 C ATOM 1342 O LYS A 86 -11.526 -0.408 12.487 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.982 2.591 11.414 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.253 3.510 12.403 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.898 4.907 12.411 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.435 5.730 13.624 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.282 6.923 13.839 1.00 0.00 N ATOM 0 H LYS A 86 -9.062 0.271 9.991 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.513 1.042 12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.604 2.776 10.409 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.042 2.843 11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.289 3.080 13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.201 3.589 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.641 5.434 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.983 4.809 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.457 5.104 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.401 6.041 13.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.936 7.450 14.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.242 7.533 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.265 6.626 14.004 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.879 0.593 10.501 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.283 0.208 10.404 1.00 0.00 C ATOM 1363 C LYS A 87 -13.855 0.524 9.015 1.00 0.00 C ATOM 1364 O LYS A 87 -14.466 -0.336 8.387 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.100 0.958 11.478 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.451 0.271 11.740 1.00 0.00 C ATOM 1367 CD LYS A 87 -15.414 -0.584 13.017 1.00 0.00 C ATOM 1368 CE LYS A 87 -15.529 0.286 14.283 1.00 0.00 C ATOM 1369 NZ LYS A 87 -15.448 -0.514 15.524 1.00 0.00 N ATOM 0 H LYS A 87 -11.519 1.068 9.673 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.351 -0.868 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.528 1.004 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.269 1.986 11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.232 1.026 11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.711 -0.357 10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.230 -1.307 12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.485 -1.153 13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.734 1.032 14.282 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.475 0.828 14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.530 0.115 16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.222 -1.209 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.535 -1.011 15.558 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.733 1.790 8.597 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.134 2.245 7.269 1.00 0.00 C ATOM 1385 C LYS A 88 -13.413 3.536 6.878 1.00 0.00 C ATOM 1386 O LYS A 88 -12.963 3.665 5.747 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.661 2.331 7.092 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.393 3.488 7.785 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.598 3.274 9.290 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.465 4.409 9.862 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.029 4.083 11.189 1.00 0.00 N ATOM 0 H LYS A 88 -13.348 2.532 9.181 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.813 1.477 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.872 2.391 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.094 1.397 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.828 4.408 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.365 3.627 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.078 2.312 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.634 3.248 9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.865 5.315 9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.278 4.624 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.604 4.881 11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.625 3.234 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.255 3.904 11.861 1.00 0.00 H new ATOM 1405 N THR A 89 -13.295 4.493 7.809 1.00 0.00 N ATOM 1406 CA THR A 89 -12.635 5.778 7.614 1.00 0.00 C ATOM 1407 C THR A 89 -11.309 5.594 6.889 1.00 0.00 C ATOM 1408 O THR A 89 -11.083 6.241 5.872 1.00 0.00 O ATOM 1409 CB THR A 89 -12.437 6.421 8.994 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.620 6.246 9.752 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.083 7.907 8.894 1.00 0.00 C ATOM 0 H THR A 89 -13.672 4.383 8.750 1.00 0.00 H new ATOM 0 HA THR A 89 -13.247 6.431 6.992 1.00 0.00 H new ATOM 0 HB THR A 89 -11.597 5.930 9.485 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.505 6.651 10.637 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.953 8.318 9.895 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.157 8.023 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.887 8.439 8.385 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.486 4.684 7.417 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.276 4.152 6.814 1.00 0.00 C ATOM 1421 C GLU A 90 -9.332 4.025 5.293 1.00 0.00 C ATOM 1422 O GLU A 90 -8.451 4.537 4.600 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.933 2.823 7.488 1.00 0.00 C ATOM 1424 CG GLU A 90 -10.083 1.850 7.830 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.458 0.877 6.731 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.653 0.716 5.794 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.563 0.319 6.878 1.00 0.00 O ATOM 0 H GLU A 90 -10.665 4.278 8.335 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.479 4.876 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.233 2.294 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.403 3.048 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.803 1.281 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.965 2.434 8.092 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.374 3.378 4.778 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.539 3.156 3.344 1.00 0.00 C ATOM 1436 C ARG A 91 -10.467 4.450 2.550 1.00 0.00 C ATOM 1437 O ARG A 91 -10.063 4.422 1.393 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.853 2.455 2.997 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.886 1.019 3.512 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.836 0.164 2.663 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.901 -0.422 3.484 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.455 -1.607 3.203 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.302 -2.159 1.998 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.117 -2.288 4.138 1.00 0.00 N ATOM 0 H ARG A 91 -11.129 2.992 5.344 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.708 2.508 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.686 3.013 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.990 2.456 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.883 0.594 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.209 1.007 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.276 0.777 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.274 -0.630 2.172 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.232 0.093 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.759 -1.677 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.728 -3.063 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.206 -1.907 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.535 -3.190 3.912 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.874 5.569 3.153 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.800 6.883 2.539 1.00 0.00 C ATOM 1460 C GLU A 92 -9.857 7.817 3.311 1.00 0.00 C ATOM 1461 O GLU A 92 -9.974 9.038 3.246 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.233 7.410 2.416 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.240 8.701 1.606 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.553 8.878 0.867 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.548 9.114 1.588 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.536 8.768 -0.376 1.00 0.00 O ATOM 0 H GLU A 92 -11.268 5.581 4.094 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.361 6.827 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.865 6.664 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.651 7.589 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.076 9.550 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.416 8.690 0.892 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.936 7.247 4.076 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.933 7.948 4.873 1.00 0.00 C ATOM 1475 C ASP A 93 -6.566 7.552 4.322 1.00 0.00 C ATOM 1476 O ASP A 93 -5.861 8.346 3.710 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.072 7.582 6.369 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.731 8.688 7.340 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.094 9.844 7.049 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -7.191 8.342 8.409 1.00 0.00 O ATOM 0 H ASP A 93 -8.863 6.233 4.163 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.065 9.028 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.098 7.262 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.429 6.727 6.578 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.217 6.276 4.461 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.004 5.679 3.917 1.00 0.00 C ATOM 1487 C LEU A 94 -4.913 5.923 2.415 1.00 0.00 C ATOM 1488 O LEU A 94 -3.914 6.436 1.908 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.043 4.176 4.221 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.605 3.803 5.649 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.161 3.338 5.578 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.673 4.912 6.702 1.00 0.00 C ATOM 0 H LEU A 94 -6.792 5.607 4.974 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.124 6.131 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.057 3.811 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.400 3.657 3.510 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.318 3.046 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.817 3.065 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.090 2.472 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.538 4.143 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.339 4.522 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.029 5.739 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.700 5.266 6.791 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.993 5.604 1.705 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.052 5.761 0.263 1.00 0.00 C ATOM 1506 C ILE A 95 -6.058 7.252 -0.095 1.00 0.00 C ATOM 1507 O ILE A 95 -5.848 7.584 -1.257 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.261 4.981 -0.302 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.053 3.456 -0.219 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.540 5.285 -1.785 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.021 2.834 1.177 1.00 0.00 C ATOM 0 H ILE A 95 -6.848 5.230 2.117 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.166 5.333 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.097 5.307 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.850 2.974 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.115 3.215 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.401 4.706 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.749 6.348 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.668 5.017 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.869 1.758 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.205 3.272 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.966 3.028 1.683 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.255 8.159 0.875 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.289 9.586 0.611 1.00 0.00 C ATOM 1525 C ALA A 96 -4.870 10.122 0.754 1.00 0.00 C ATOM 1526 O ALA A 96 -4.401 10.867 -0.104 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.285 10.264 1.551 1.00 0.00 C ATOM 0 H ALA A 96 -6.393 7.915 1.856 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.633 9.799 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.306 11.335 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.279 9.845 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.982 10.097 2.585 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.152 9.684 1.795 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.734 9.961 1.913 1.00 0.00 C ATOM 1535 C TYR A 97 -2.009 9.502 0.663 1.00 0.00 C ATOM 1536 O TYR A 97 -1.355 10.305 0.004 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.107 9.295 3.144 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.579 9.376 3.181 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.092 10.502 2.659 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.187 8.320 3.709 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.487 10.619 2.741 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.592 8.418 3.739 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.248 9.564 3.255 1.00 0.00 C ATOM 1544 OH TYR A 97 3.610 9.637 3.242 1.00 0.00 O ATOM 0 H TYR A 97 -4.539 9.136 2.563 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.628 11.039 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.508 9.764 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.406 8.247 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.479 11.288 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.302 7.436 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.974 11.524 2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.174 7.601 4.140 1.00 0.00 H new ATOM 0 HH TYR A 97 3.889 10.457 2.784 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.091 8.214 0.338 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.260 7.676 -0.731 1.00 0.00 C ATOM 1556 C LEU A 98 -1.563 8.339 -2.075 1.00 0.00 C ATOM 1557 O LEU A 98 -0.704 8.378 -2.957 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.344 6.152 -0.770 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.917 5.532 0.568 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.150 4.021 0.501 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.544 5.826 0.933 1.00 0.00 C ATOM 0 H LEU A 98 -2.709 7.539 0.788 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.220 7.923 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.364 5.848 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.707 5.771 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.522 5.986 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.851 3.565 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.207 3.823 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.558 3.597 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.781 5.360 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.200 5.424 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.690 6.903 1.009 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.758 8.922 -2.194 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.207 9.659 -3.364 1.00 0.00 C ATOM 1575 C LYS A 99 -2.289 10.833 -3.684 1.00 0.00 C ATOM 1576 O LYS A 99 -2.205 11.249 -4.837 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.645 10.137 -3.130 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.516 9.996 -4.377 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.987 10.025 -3.941 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.915 9.813 -5.136 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.157 11.020 -5.945 1.00 0.00 N ATOM 0 H LYS A 99 -3.457 8.890 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.176 8.995 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.087 9.564 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.631 11.181 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.311 10.806 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.291 9.063 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.165 9.250 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.211 10.981 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.490 9.041 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.872 9.436 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.682 10.762 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.713 11.703 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.247 11.448 -6.210 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.610 11.359 -2.661 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.607 12.394 -2.792 1.00 0.00 C ATOM 1597 C LYS A 100 0.781 11.885 -2.397 1.00 0.00 C ATOM 1598 O LYS A 100 1.753 12.468 -2.846 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.033 13.681 -2.069 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.915 13.667 -0.535 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.079 14.862 -0.041 1.00 0.00 C ATOM 1602 CE LYS A 100 1.415 14.637 -0.330 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.274 15.797 -0.010 1.00 0.00 N ATOM 0 H LYS A 100 -1.754 11.061 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.526 12.664 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.431 14.505 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.069 13.895 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.909 13.703 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.453 12.735 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.416 15.775 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.231 15.000 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.759 13.775 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.537 14.389 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.956 15.947 -0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.684 16.646 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.787 15.615 0.876 1.00 0.00 H new ATOM 1617 N ALA A 101 0.918 10.809 -1.610 1.00 0.00 N ATOM 1618 CA ALA A 101 2.231 10.230 -1.319 1.00 0.00 C ATOM 1619 C ALA A 101 2.887 9.750 -2.612 1.00 0.00 C ATOM 1620 O ALA A 101 4.091 9.868 -2.807 1.00 0.00 O ATOM 1621 CB ALA A 101 2.140 9.070 -0.327 1.00 0.00 C ATOM 0 H ALA A 101 0.137 10.326 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 101 2.838 11.011 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.137 8.671 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.710 9.425 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.507 8.285 -0.742 1.00 0.00 H new ATOM 1627 N THR A 102 2.067 9.248 -3.538 1.00 0.00 N ATOM 1628 CA THR A 102 2.520 8.884 -4.871 1.00 0.00 C ATOM 1629 C THR A 102 3.200 10.050 -5.604 1.00 0.00 C ATOM 1630 O THR A 102 3.834 9.821 -6.633 1.00 0.00 O ATOM 1631 CB THR A 102 1.331 8.341 -5.671 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.775 7.649 -6.819 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.359 9.454 -6.081 1.00 0.00 C ATOM 0 H THR A 102 1.073 9.085 -3.380 1.00 0.00 H new ATOM 0 HA THR A 102 3.281 8.110 -4.773 1.00 0.00 H new ATOM 0 HB THR A 102 0.797 7.651 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.646 8.002 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.468 9.025 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.028 9.946 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.881 10.183 -6.700 1.00 0.00 H new ATOM 1641 N ASN A 103 3.006 11.286 -5.129 1.00 0.00 N ATOM 1642 CA ASN A 103 3.627 12.489 -5.666 1.00 0.00 C ATOM 1643 C ASN A 103 3.796 13.521 -4.540 1.00 0.00 C ATOM 1644 O ASN A 103 3.276 14.631 -4.658 1.00 0.00 O ATOM 1645 CB ASN A 103 2.734 13.015 -6.802 1.00 0.00 C ATOM 1646 CG ASN A 103 3.318 14.238 -7.507 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.518 14.316 -7.744 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.468 15.190 -7.888 1.00 0.00 N ATOM 0 H ASN A 103 2.393 11.476 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 103 4.619 12.282 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.581 12.221 -7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.754 13.270 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.811 16.009 -8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.474 15.100 -7.678 1.00 0.00 H new ATOM 1655 N GLU A 104 4.458 13.145 -3.431 1.00 0.00 N ATOM 1656 CA GLU A 104 4.697 14.065 -2.321 1.00 0.00 C ATOM 1657 C GLU A 104 5.985 14.864 -2.508 1.00 0.00 C ATOM 1658 O GLU A 104 6.867 14.395 -3.261 1.00 0.00 O ATOM 1659 CB GLU A 104 4.583 13.409 -0.928 1.00 0.00 C ATOM 1660 CG GLU A 104 5.389 12.146 -0.582 1.00 0.00 C ATOM 1661 CD GLU A 104 5.217 11.723 0.877 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.220 12.151 1.505 1.00 0.00 O ATOM 1663 OE2 GLU A 104 6.046 10.913 1.333 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.036 15.953 -1.891 1.00 0.00 O ATOM 0 H GLU A 104 4.834 12.208 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 104 3.878 14.783 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.849 14.169 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.531 13.170 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.076 11.330 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.445 12.327 -0.782 1.00 0.00 H new