USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.168 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0528 (180deg=-0.506) USER MOD Single : A 7 CYS SG : rot -165:sc= 0.0288 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -39:sc= -1.45! USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.125 (180deg=-0.634) USER MOD Single : A 18 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.9) USER MOD Single : A 24 THR OG1 : rot -53:sc= 0.109 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -24:sc= 0.548 USER MOD Single : A 32 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.7!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -3.41! C(o=-3.4!,f=-11!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= -0.0568 (180deg=-0.945) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= -0.221 (180deg=-0.965) USER MOD Single : A 51 GLN : amide:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 56 SER OG : rot 10:sc= 0.377! USER MOD Single : A 57 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.2!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -122:sc= 0 (180deg=-2.7!) USER MOD Single : A 64 ASN : amide:sc= -0.872 K(o=-0.87,f=-1.8!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.086 -16.316 -19.115 1.00 31.55 N ATOM 2 CA GLY A 1 -19.336 -16.946 -17.788 1.00 30.58 C ATOM 3 C GLY A 1 -19.185 -15.908 -16.675 1.00 29.12 C ATOM 4 O GLY A 1 -19.682 -14.803 -16.778 1.00 29.95 O ATOM 0 H1 GLY A 1 -19.191 -17.030 -19.864 1.00 31.55 H new ATOM 0 H2 GLY A 1 -19.771 -15.549 -19.270 1.00 31.55 H new ATOM 0 H3 GLY A 1 -18.121 -15.929 -19.139 1.00 31.55 H new ATOM 0 HA2 GLY A 1 -20.338 -17.374 -17.763 1.00 30.58 H new ATOM 0 HA3 GLY A 1 -18.636 -17.766 -17.628 1.00 30.58 H new ATOM 10 N SER A 2 -18.503 -16.293 -15.631 1.00 27.14 N ATOM 11 CA SER A 2 -18.300 -15.355 -14.496 1.00 25.86 C ATOM 12 C SER A 2 -17.936 -13.964 -15.020 1.00 23.79 C ATOM 13 O SER A 2 -17.609 -13.808 -16.178 1.00 23.05 O ATOM 14 CB SER A 2 -17.130 -15.891 -13.660 1.00 24.88 C ATOM 15 OG SER A 2 -16.678 -17.027 -14.382 1.00 26.40 O ATOM 0 H SER A 2 -18.080 -17.214 -15.517 1.00 27.14 H new ATOM 0 HA SER A 2 -19.212 -15.280 -13.903 1.00 25.86 H new ATOM 0 HB2 SER A 2 -16.341 -15.146 -13.555 1.00 24.88 H new ATOM 0 HB3 SER A 2 -17.450 -16.160 -12.653 1.00 24.88 H new ATOM 0 HG SER A 2 -15.921 -17.434 -13.911 1.00 26.40 H new ATOM 21 N PRO A 3 -18.004 -12.971 -14.159 1.00 22.94 N ATOM 22 CA PRO A 3 -17.672 -11.597 -14.560 1.00 20.96 C ATOM 23 C PRO A 3 -16.331 -11.550 -15.292 1.00 20.02 C ATOM 24 O PRO A 3 -15.375 -12.178 -14.882 1.00 20.48 O ATOM 25 CB PRO A 3 -17.594 -10.820 -13.236 1.00 20.37 C ATOM 26 CG PRO A 3 -18.166 -11.736 -12.124 1.00 22.28 C ATOM 27 CD PRO A 3 -18.395 -13.125 -12.741 1.00 23.91 C ATOM 0 HA PRO A 3 -18.408 -11.179 -15.247 1.00 20.96 H new ATOM 0 HB2 PRO A 3 -16.563 -10.544 -13.013 1.00 20.37 H new ATOM 0 HB3 PRO A 3 -18.165 -9.894 -13.301 1.00 20.37 H new ATOM 0 HG2 PRO A 3 -17.473 -11.799 -11.285 1.00 22.28 H new ATOM 0 HG3 PRO A 3 -19.100 -11.330 -11.736 1.00 22.28 H new ATOM 0 HD2 PRO A 3 -17.792 -13.884 -12.243 1.00 23.91 H new ATOM 0 HD3 PRO A 3 -19.436 -13.434 -12.648 1.00 23.91 H new ATOM 35 N THR A 4 -16.291 -10.805 -16.364 1.00 18.86 N ATOM 36 CA THR A 4 -15.031 -10.695 -17.149 1.00 17.86 C ATOM 37 C THR A 4 -14.310 -9.387 -16.852 1.00 15.10 C ATOM 38 O THR A 4 -13.960 -8.650 -17.753 1.00 14.28 O ATOM 39 CB THR A 4 -15.406 -10.711 -18.627 1.00 18.95 C ATOM 40 OG1 THR A 4 -16.231 -11.849 -18.793 1.00 20.40 O ATOM 41 CG2 THR A 4 -14.186 -10.974 -19.524 1.00 19.86 C ATOM 0 H THR A 4 -17.078 -10.268 -16.729 1.00 18.86 H new ATOM 0 HA THR A 4 -14.371 -11.521 -16.886 1.00 17.86 H new ATOM 0 HB THR A 4 -15.858 -9.756 -18.893 1.00 18.95 H new ATOM 0 HG1 THR A 4 -16.510 -11.917 -19.730 1.00 20.40 H new ATOM 0 HG21 THR A 4 -14.497 -10.977 -20.569 1.00 19.86 H new ATOM 0 HG22 THR A 4 -13.444 -10.191 -19.368 1.00 19.86 H new ATOM 0 HG23 THR A 4 -13.751 -11.941 -19.272 1.00 19.86 H new ATOM 49 N PHE A 5 -14.115 -9.129 -15.593 1.00 14.05 N ATOM 50 CA PHE A 5 -13.419 -7.875 -15.185 1.00 11.45 C ATOM 51 C PHE A 5 -12.140 -8.190 -14.414 1.00 9.26 C ATOM 52 O PHE A 5 -12.184 -8.537 -13.250 1.00 9.37 O ATOM 53 CB PHE A 5 -14.357 -7.082 -14.270 1.00 12.25 C ATOM 54 CG PHE A 5 -15.581 -6.632 -15.068 1.00 12.68 C ATOM 55 CD1 PHE A 5 -15.467 -5.641 -16.025 1.00 12.77 C ATOM 56 CD2 PHE A 5 -16.816 -7.213 -14.845 1.00 13.08 C ATOM 57 CE1 PHE A 5 -16.571 -5.240 -16.751 1.00 13.17 C ATOM 58 CE2 PHE A 5 -17.921 -6.811 -15.569 1.00 13.46 C ATOM 59 CZ PHE A 5 -17.797 -5.823 -16.520 1.00 13.46 C ATOM 0 H PHE A 5 -14.407 -9.732 -14.824 1.00 14.05 H new ATOM 0 HA PHE A 5 -13.159 -7.305 -16.077 1.00 11.45 H new ATOM 0 HB2 PHE A 5 -14.666 -7.698 -13.425 1.00 12.25 H new ATOM 0 HB3 PHE A 5 -13.837 -6.216 -13.860 1.00 12.25 H new ATOM 0 HD1 PHE A 5 -14.508 -5.177 -16.206 1.00 12.77 H new ATOM 0 HD2 PHE A 5 -16.917 -7.987 -14.099 1.00 13.08 H new ATOM 0 HE1 PHE A 5 -16.473 -4.469 -17.500 1.00 13.17 H new ATOM 0 HE2 PHE A 5 -18.881 -7.271 -15.390 1.00 13.46 H new ATOM 0 HZ PHE A 5 -18.661 -5.505 -17.085 1.00 13.46 H new ATOM 69 N LYS A 6 -11.024 -8.064 -15.079 1.00 7.34 N ATOM 70 CA LYS A 6 -9.737 -8.353 -14.396 1.00 5.12 C ATOM 71 C LYS A 6 -9.543 -7.424 -13.200 1.00 3.77 C ATOM 72 O LYS A 6 -9.681 -6.221 -13.313 1.00 4.13 O ATOM 73 CB LYS A 6 -8.591 -8.132 -15.395 1.00 4.83 C ATOM 74 CG LYS A 6 -8.697 -6.724 -15.997 1.00 4.74 C ATOM 75 CD LYS A 6 -8.746 -6.825 -17.524 1.00 5.64 C ATOM 76 CE LYS A 6 -8.619 -5.420 -18.121 1.00 5.86 C ATOM 77 NZ LYS A 6 -9.626 -4.499 -17.519 1.00 8.34 N ATOM 0 H LYS A 6 -10.950 -7.777 -16.055 1.00 7.34 H new ATOM 0 HA LYS A 6 -9.744 -9.383 -14.040 1.00 5.12 H new ATOM 0 HB2 LYS A 6 -7.630 -8.253 -14.894 1.00 4.83 H new ATOM 0 HB3 LYS A 6 -8.635 -8.881 -16.186 1.00 4.83 H new ATOM 0 HG2 LYS A 6 -9.592 -6.224 -15.626 1.00 4.74 H new ATOM 0 HG3 LYS A 6 -7.844 -6.120 -15.689 1.00 4.74 H new ATOM 0 HD2 LYS A 6 -7.939 -7.462 -17.885 1.00 5.64 H new ATOM 0 HD3 LYS A 6 -9.682 -7.286 -17.841 1.00 5.64 H new ATOM 0 HE2 LYS A 6 -7.615 -5.034 -17.945 1.00 5.86 H new ATOM 0 HE3 LYS A 6 -8.759 -5.464 -19.201 1.00 5.86 H new ATOM 0 HZ1 LYS A 6 -9.713 -3.647 -18.109 1.00 8.34 H new ATOM 0 HZ2 LYS A 6 -10.547 -4.979 -17.466 1.00 8.34 H new ATOM 0 HZ3 LYS A 6 -9.321 -4.228 -16.562 1.00 8.34 H new ATOM 91 N CYS A 7 -9.234 -8.003 -12.072 1.00 2.52 N ATOM 92 CA CYS A 7 -9.027 -7.175 -10.854 1.00 1.17 C ATOM 93 C CYS A 7 -7.920 -7.752 -9.978 1.00 0.84 C ATOM 94 O CYS A 7 -7.400 -8.818 -10.248 1.00 0.58 O ATOM 95 CB CYS A 7 -10.328 -7.178 -10.042 1.00 1.83 C ATOM 96 SG CYS A 7 -10.907 -5.596 -9.386 1.00 2.19 S ATOM 0 H CYS A 7 -9.117 -9.008 -11.943 1.00 2.52 H new ATOM 0 HA CYS A 7 -8.746 -6.167 -11.160 1.00 1.17 H new ATOM 0 HB2 CYS A 7 -11.117 -7.590 -10.672 1.00 1.83 H new ATOM 0 HB3 CYS A 7 -10.200 -7.863 -9.204 1.00 1.83 H new ATOM 0 HG CYS A 7 -11.819 -5.808 -8.484 1.00 2.19 H new ATOM 102 N ALA A 8 -7.587 -7.024 -8.945 1.00 0.94 N ATOM 103 CA ALA A 8 -6.524 -7.479 -8.011 1.00 0.68 C ATOM 104 C ALA A 8 -7.118 -7.676 -6.620 1.00 0.55 C ATOM 105 O ALA A 8 -8.280 -7.395 -6.403 1.00 0.72 O ATOM 106 CB ALA A 8 -5.445 -6.391 -7.939 1.00 0.89 C ATOM 0 H ALA A 8 -8.011 -6.127 -8.709 1.00 0.94 H new ATOM 0 HA ALA A 8 -6.098 -8.419 -8.362 1.00 0.68 H new ATOM 0 HB1 ALA A 8 -4.655 -6.707 -7.258 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -5.025 -6.229 -8.932 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -5.888 -5.463 -7.577 1.00 0.89 H new ATOM 112 N VAL A 9 -6.322 -8.162 -5.705 1.00 0.35 N ATOM 113 CA VAL A 9 -6.840 -8.379 -4.329 1.00 0.29 C ATOM 114 C VAL A 9 -5.778 -8.055 -3.284 1.00 0.22 C ATOM 115 O VAL A 9 -4.782 -7.421 -3.561 1.00 0.47 O ATOM 116 CB VAL A 9 -7.188 -9.876 -4.163 1.00 0.34 C ATOM 117 CG1 VAL A 9 -8.592 -10.025 -3.573 1.00 2.04 C ATOM 118 CG2 VAL A 9 -7.129 -10.595 -5.506 1.00 2.12 C ATOM 0 H VAL A 9 -5.345 -8.415 -5.851 1.00 0.35 H new ATOM 0 HA VAL A 9 -7.707 -7.734 -4.188 1.00 0.29 H new ATOM 0 HB VAL A 9 -6.457 -10.323 -3.489 1.00 0.34 H new ATOM 0 HG11 VAL A 9 -8.829 -11.083 -3.460 1.00 2.04 H new ATOM 0 HG12 VAL A 9 -8.631 -9.538 -2.599 1.00 2.04 H new ATOM 0 HG13 VAL A 9 -9.318 -9.560 -4.240 1.00 2.04 H new ATOM 0 HG21 VAL A 9 -7.377 -11.647 -5.367 1.00 2.12 H new ATOM 0 HG22 VAL A 9 -7.843 -10.142 -6.193 1.00 2.12 H new ATOM 0 HG23 VAL A 9 -6.124 -10.511 -5.920 1.00 2.12 H new ATOM 128 N LYS A 10 -6.040 -8.513 -2.098 1.00 0.28 N ATOM 129 CA LYS A 10 -5.110 -8.291 -0.967 1.00 0.20 C ATOM 130 C LYS A 10 -5.447 -9.300 0.135 1.00 0.12 C ATOM 131 O LYS A 10 -6.145 -8.972 1.073 1.00 0.11 O ATOM 132 CB LYS A 10 -5.313 -6.874 -0.420 1.00 0.27 C ATOM 133 CG LYS A 10 -4.425 -6.683 0.815 1.00 0.47 C ATOM 134 CD LYS A 10 -3.666 -5.360 0.700 1.00 1.01 C ATOM 135 CE LYS A 10 -3.031 -5.029 2.051 1.00 0.84 C ATOM 136 NZ LYS A 10 -3.768 -3.917 2.713 1.00 0.98 N ATOM 0 H LYS A 10 -6.878 -9.043 -1.861 1.00 0.28 H new ATOM 0 HA LYS A 10 -4.078 -8.413 -1.296 1.00 0.20 H new ATOM 0 HB2 LYS A 10 -5.061 -6.137 -1.182 1.00 0.27 H new ATOM 0 HB3 LYS A 10 -6.360 -6.718 -0.159 1.00 0.27 H new ATOM 0 HG2 LYS A 10 -5.035 -6.687 1.718 1.00 0.47 H new ATOM 0 HG3 LYS A 10 -3.722 -7.511 0.902 1.00 0.47 H new ATOM 0 HD2 LYS A 10 -2.897 -5.433 -0.069 1.00 1.01 H new ATOM 0 HD3 LYS A 10 -4.344 -4.562 0.398 1.00 1.01 H new ATOM 0 HE2 LYS A 10 -3.041 -5.912 2.691 1.00 0.84 H new ATOM 0 HE3 LYS A 10 -1.987 -4.749 1.910 1.00 0.84 H new ATOM 0 HZ1 LYS A 10 -3.325 -3.704 3.629 1.00 0.98 H new ATOM 0 HZ2 LYS A 10 -3.737 -3.071 2.108 1.00 0.98 H new ATOM 0 HZ3 LYS A 10 -4.758 -4.198 2.864 1.00 0.98 H new ATOM 150 N ALA A 11 -4.954 -10.508 -0.015 1.00 0.11 N ATOM 151 CA ALA A 11 -5.229 -11.573 1.003 1.00 0.05 C ATOM 152 C ALA A 11 -5.376 -11.012 2.410 1.00 0.05 C ATOM 153 O ALA A 11 -4.458 -10.443 2.964 1.00 0.10 O ATOM 154 CB ALA A 11 -4.071 -12.572 0.979 1.00 0.05 C ATOM 0 H ALA A 11 -4.372 -10.802 -0.800 1.00 0.11 H new ATOM 0 HA ALA A 11 -6.175 -12.050 0.746 1.00 0.05 H new ATOM 0 HB1 ALA A 11 -4.252 -13.356 1.714 1.00 0.05 H new ATOM 0 HB2 ALA A 11 -3.994 -13.016 -0.014 1.00 0.05 H new ATOM 0 HB3 ALA A 11 -3.141 -12.057 1.220 1.00 0.05 H new ATOM 160 N LEU A 12 -6.551 -11.179 2.949 1.00 0.06 N ATOM 161 CA LEU A 12 -6.808 -10.674 4.317 1.00 0.08 C ATOM 162 C LEU A 12 -6.280 -11.677 5.324 1.00 0.10 C ATOM 163 O LEU A 12 -5.814 -11.313 6.386 1.00 0.21 O ATOM 164 CB LEU A 12 -8.327 -10.527 4.533 1.00 0.09 C ATOM 165 CG LEU A 12 -8.985 -9.812 3.343 1.00 0.07 C ATOM 166 CD1 LEU A 12 -10.488 -10.099 3.370 1.00 0.20 C ATOM 167 CD2 LEU A 12 -8.771 -8.303 3.475 1.00 0.26 C ATOM 0 H LEU A 12 -7.340 -11.643 2.499 1.00 0.06 H new ATOM 0 HA LEU A 12 -6.315 -9.710 4.444 1.00 0.08 H new ATOM 0 HB2 LEU A 12 -8.776 -11.511 4.664 1.00 0.09 H new ATOM 0 HB3 LEU A 12 -8.515 -9.966 5.448 1.00 0.09 H new ATOM 0 HG LEU A 12 -8.546 -10.166 2.410 1.00 0.07 H new ATOM 0 HD11 LEU A 12 -10.969 -9.598 2.530 1.00 0.20 H new ATOM 0 HD12 LEU A 12 -10.655 -11.174 3.295 1.00 0.20 H new ATOM 0 HD13 LEU A 12 -10.912 -9.731 4.304 1.00 0.20 H new ATOM 0 HD21 LEU A 12 -9.237 -7.794 2.631 1.00 0.26 H new ATOM 0 HD22 LEU A 12 -9.220 -7.952 4.404 1.00 0.26 H new ATOM 0 HD23 LEU A 12 -7.703 -8.086 3.484 1.00 0.26 H new ATOM 179 N PHE A 13 -6.361 -12.931 4.956 1.00 0.05 N ATOM 180 CA PHE A 13 -5.871 -14.007 5.866 1.00 0.03 C ATOM 181 C PHE A 13 -4.684 -14.724 5.227 1.00 0.13 C ATOM 182 O PHE A 13 -4.369 -14.493 4.076 1.00 0.50 O ATOM 183 CB PHE A 13 -6.993 -15.034 6.106 1.00 0.10 C ATOM 184 CG PHE A 13 -8.326 -14.349 6.464 1.00 0.19 C ATOM 185 CD1 PHE A 13 -8.368 -13.128 7.124 1.00 0.19 C ATOM 186 CD2 PHE A 13 -9.522 -14.965 6.128 1.00 0.33 C ATOM 187 CE1 PHE A 13 -9.574 -12.541 7.432 1.00 0.29 C ATOM 188 CE2 PHE A 13 -10.730 -14.371 6.439 1.00 0.42 C ATOM 189 CZ PHE A 13 -10.754 -13.160 7.090 1.00 0.39 C ATOM 0 H PHE A 13 -6.744 -13.254 4.068 1.00 0.05 H new ATOM 0 HA PHE A 13 -5.568 -13.557 6.811 1.00 0.03 H new ATOM 0 HB2 PHE A 13 -7.126 -15.643 5.212 1.00 0.10 H new ATOM 0 HB3 PHE A 13 -6.703 -15.709 6.912 1.00 0.10 H new ATOM 0 HD1 PHE A 13 -7.447 -12.635 7.398 1.00 0.19 H new ATOM 0 HD2 PHE A 13 -9.509 -15.917 5.619 1.00 0.33 H new ATOM 0 HE1 PHE A 13 -9.594 -11.590 7.944 1.00 0.29 H new ATOM 0 HE2 PHE A 13 -11.656 -14.858 6.171 1.00 0.42 H new ATOM 0 HZ PHE A 13 -11.698 -12.695 7.333 1.00 0.39 H new ATOM 199 N ASP A 14 -4.048 -15.580 5.984 1.00 0.24 N ATOM 200 CA ASP A 14 -2.876 -16.315 5.429 1.00 0.23 C ATOM 201 C ASP A 14 -3.249 -17.715 4.936 1.00 0.18 C ATOM 202 O ASP A 14 -4.184 -18.319 5.416 1.00 0.23 O ATOM 203 CB ASP A 14 -1.835 -16.455 6.545 1.00 0.35 C ATOM 204 CG ASP A 14 -2.156 -15.466 7.669 1.00 1.33 C ATOM 205 OD1 ASP A 14 -2.943 -15.848 8.518 1.00 1.75 O ATOM 206 OD2 ASP A 14 -1.592 -14.384 7.614 1.00 2.01 O ATOM 0 H ASP A 14 -4.287 -15.799 6.951 1.00 0.24 H new ATOM 0 HA ASP A 14 -2.492 -15.754 4.577 1.00 0.23 H new ATOM 0 HB2 ASP A 14 -1.835 -17.474 6.932 1.00 0.35 H new ATOM 0 HB3 ASP A 14 -0.837 -16.264 6.152 1.00 0.35 H new ATOM 211 N TYR A 15 -2.485 -18.198 3.986 1.00 0.11 N ATOM 212 CA TYR A 15 -2.743 -19.554 3.416 1.00 0.10 C ATOM 213 C TYR A 15 -1.492 -20.423 3.557 1.00 0.11 C ATOM 214 O TYR A 15 -0.463 -19.953 4.000 1.00 0.13 O ATOM 215 CB TYR A 15 -3.059 -19.386 1.923 1.00 0.07 C ATOM 216 CG TYR A 15 -3.806 -20.612 1.413 1.00 0.11 C ATOM 217 CD1 TYR A 15 -3.115 -21.740 1.044 1.00 0.11 C ATOM 218 CD2 TYR A 15 -5.180 -20.641 1.417 1.00 0.15 C ATOM 219 CE1 TYR A 15 -3.767 -22.884 0.708 1.00 0.15 C ATOM 220 CE2 TYR A 15 -5.853 -21.796 1.069 1.00 0.18 C ATOM 221 CZ TYR A 15 -5.148 -22.934 0.717 1.00 0.19 C ATOM 222 OH TYR A 15 -5.808 -24.117 0.459 1.00 0.26 O ATOM 0 H TYR A 15 -1.689 -17.706 3.580 1.00 0.11 H new ATOM 0 HA TYR A 15 -3.571 -20.028 3.942 1.00 0.10 H new ATOM 0 HB2 TYR A 15 -3.661 -18.491 1.768 1.00 0.07 H new ATOM 0 HB3 TYR A 15 -2.136 -19.251 1.359 1.00 0.07 H new ATOM 0 HD1 TYR A 15 -2.035 -21.718 1.020 1.00 0.11 H new ATOM 0 HD2 TYR A 15 -5.736 -19.757 1.693 1.00 0.15 H new ATOM 0 HE1 TYR A 15 -3.201 -23.761 0.432 1.00 0.15 H new ATOM 0 HE2 TYR A 15 -6.933 -21.811 1.072 1.00 0.18 H new ATOM 0 HH TYR A 15 -5.343 -24.602 -0.254 1.00 0.26 H new ATOM 232 N LYS A 16 -1.597 -21.673 3.191 1.00 0.13 N ATOM 233 CA LYS A 16 -0.406 -22.551 3.309 1.00 0.16 C ATOM 234 C LYS A 16 -0.346 -23.686 2.277 1.00 0.20 C ATOM 235 O LYS A 16 -0.304 -24.846 2.640 1.00 0.24 O ATOM 236 CB LYS A 16 -0.397 -23.152 4.717 1.00 0.20 C ATOM 237 CG LYS A 16 -1.810 -23.637 5.044 1.00 2.98 C ATOM 238 CD LYS A 16 -1.750 -24.970 5.794 1.00 3.04 C ATOM 239 CE LYS A 16 -1.095 -24.755 7.161 1.00 3.58 C ATOM 240 NZ LYS A 16 -1.902 -23.809 7.985 1.00 4.53 N ATOM 0 H LYS A 16 -2.440 -22.114 2.823 1.00 0.13 H new ATOM 0 HA LYS A 16 0.467 -21.928 3.115 1.00 0.16 H new ATOM 0 HB2 LYS A 16 0.310 -23.980 4.771 1.00 0.20 H new ATOM 0 HB3 LYS A 16 -0.074 -22.408 5.445 1.00 0.20 H new ATOM 0 HG2 LYS A 16 -2.327 -22.893 5.650 1.00 2.98 H new ATOM 0 HG3 LYS A 16 -2.384 -23.754 4.125 1.00 2.98 H new ATOM 0 HD2 LYS A 16 -2.754 -25.375 5.919 1.00 3.04 H new ATOM 0 HD3 LYS A 16 -1.182 -25.699 5.217 1.00 3.04 H new ATOM 0 HE2 LYS A 16 -1.001 -25.709 7.680 1.00 3.58 H new ATOM 0 HE3 LYS A 16 -0.086 -24.363 7.030 1.00 3.58 H new ATOM 0 HZ1 LYS A 16 -1.682 -23.951 8.992 1.00 4.53 H new ATOM 0 HZ2 LYS A 16 -1.673 -22.831 7.715 1.00 4.53 H new ATOM 0 HZ3 LYS A 16 -2.914 -23.985 7.824 1.00 4.53 H new ATOM 254 N ALA A 17 -0.343 -23.331 1.013 1.00 0.19 N ATOM 255 CA ALA A 17 -0.272 -24.375 -0.052 1.00 0.22 C ATOM 256 C ALA A 17 1.133 -24.313 -0.560 1.00 0.32 C ATOM 257 O ALA A 17 1.764 -25.300 -0.883 1.00 0.28 O ATOM 258 CB ALA A 17 -1.200 -24.067 -1.227 1.00 0.16 C ATOM 0 H ALA A 17 -0.386 -22.369 0.677 1.00 0.19 H new ATOM 0 HA ALA A 17 -0.565 -25.343 0.354 1.00 0.22 H new ATOM 0 HB1 ALA A 17 -1.113 -24.855 -1.976 1.00 0.16 H new ATOM 0 HB2 ALA A 17 -2.230 -24.015 -0.873 1.00 0.16 H new ATOM 0 HB3 ALA A 17 -0.920 -23.112 -1.671 1.00 0.16 H new ATOM 264 N GLN A 18 1.568 -23.100 -0.606 1.00 0.49 N ATOM 265 CA GLN A 18 2.940 -22.803 -1.071 1.00 0.64 C ATOM 266 C GLN A 18 3.095 -22.956 -2.566 1.00 0.61 C ATOM 267 O GLN A 18 3.721 -22.133 -3.202 1.00 0.78 O ATOM 268 CB GLN A 18 3.895 -23.779 -0.391 1.00 0.69 C ATOM 269 CG GLN A 18 5.259 -23.110 -0.186 1.00 1.21 C ATOM 270 CD GLN A 18 6.356 -24.158 -0.346 1.00 0.98 C ATOM 271 OE1 GLN A 18 7.141 -24.115 -1.272 1.00 2.37 O ATOM 272 NE2 GLN A 18 6.450 -25.117 0.536 1.00 0.94 N ATOM 0 H GLN A 18 1.022 -22.282 -0.336 1.00 0.49 H new ATOM 0 HA GLN A 18 3.159 -21.766 -0.818 1.00 0.64 H new ATOM 0 HB2 GLN A 18 3.486 -24.094 0.569 1.00 0.69 H new ATOM 0 HB3 GLN A 18 4.007 -24.676 -0.999 1.00 0.69 H new ATOM 0 HG2 GLN A 18 5.397 -22.307 -0.910 1.00 1.21 H new ATOM 0 HG3 GLN A 18 5.312 -22.658 0.805 1.00 1.21 H new ATOM 0 HE21 GLN A 18 5.794 -25.159 1.316 1.00 0.94 H new ATOM 0 HE22 GLN A 18 7.179 -25.824 0.445 1.00 0.94 H new ATOM 281 N ARG A 19 2.528 -23.986 -3.122 1.00 0.44 N ATOM 282 CA ARG A 19 2.695 -24.125 -4.588 1.00 0.60 C ATOM 283 C ARG A 19 1.819 -25.198 -5.204 1.00 0.61 C ATOM 284 O ARG A 19 2.268 -25.881 -6.105 1.00 1.26 O ATOM 285 CB ARG A 19 4.150 -24.513 -4.863 1.00 0.66 C ATOM 286 CG ARG A 19 4.398 -25.915 -4.304 1.00 2.64 C ATOM 287 CD ARG A 19 5.855 -26.024 -3.854 1.00 3.60 C ATOM 288 NE ARG A 19 6.139 -27.438 -3.482 1.00 3.32 N ATOM 289 CZ ARG A 19 6.578 -28.262 -4.393 1.00 2.63 C ATOM 290 NH1 ARG A 19 7.846 -28.249 -4.694 1.00 1.75 N ATOM 291 NH2 ARG A 19 5.732 -29.068 -4.978 1.00 2.83 N ATOM 0 H ARG A 19 1.981 -24.706 -2.651 1.00 0.44 H new ATOM 0 HA ARG A 19 2.409 -23.171 -5.031 1.00 0.60 H new ATOM 0 HB2 ARG A 19 4.350 -24.492 -5.934 1.00 0.66 H new ATOM 0 HB3 ARG A 19 4.827 -23.796 -4.398 1.00 0.66 H new ATOM 0 HG2 ARG A 19 3.730 -26.109 -3.465 1.00 2.64 H new ATOM 0 HG3 ARG A 19 4.182 -26.666 -5.064 1.00 2.64 H new ATOM 0 HD2 ARG A 19 6.522 -25.703 -4.654 1.00 3.60 H new ATOM 0 HD3 ARG A 19 6.038 -25.366 -3.004 1.00 3.60 H new ATOM 0 HE ARG A 19 5.992 -27.759 -2.525 1.00 3.32 H new ATOM 0 HH11 ARG A 19 8.476 -27.602 -4.220 1.00 1.75 H new ATOM 0 HH12 ARG A 19 8.208 -28.886 -5.404 1.00 1.75 H new ATOM 0 HH21 ARG A 19 4.745 -29.046 -4.720 1.00 2.83 H new ATOM 0 HH22 ARG A 19 6.058 -29.719 -5.693 1.00 2.83 H new ATOM 305 N GLU A 20 0.594 -25.333 -4.761 1.00 0.64 N ATOM 306 CA GLU A 20 -0.232 -26.380 -5.378 1.00 0.56 C ATOM 307 C GLU A 20 -1.152 -25.683 -6.331 1.00 1.03 C ATOM 308 O GLU A 20 -0.777 -24.704 -6.938 1.00 3.24 O ATOM 309 CB GLU A 20 -1.027 -27.176 -4.325 1.00 0.24 C ATOM 310 CG GLU A 20 -1.969 -26.282 -3.531 1.00 0.32 C ATOM 311 CD GLU A 20 -3.408 -26.776 -3.696 1.00 0.67 C ATOM 312 OE1 GLU A 20 -3.962 -26.499 -4.748 1.00 1.08 O ATOM 313 OE2 GLU A 20 -3.878 -27.393 -2.754 1.00 1.13 O ATOM 0 H GLU A 20 0.154 -24.780 -4.026 1.00 0.64 H new ATOM 0 HA GLU A 20 0.394 -27.109 -5.892 1.00 0.56 H new ATOM 0 HB2 GLU A 20 -1.601 -27.960 -4.819 1.00 0.24 H new ATOM 0 HB3 GLU A 20 -0.334 -27.670 -3.644 1.00 0.24 H new ATOM 0 HG2 GLU A 20 -1.690 -26.288 -2.477 1.00 0.32 H new ATOM 0 HG3 GLU A 20 -1.886 -25.252 -3.876 1.00 0.32 H new ATOM 320 N ASP A 21 -2.318 -26.163 -6.465 1.00 1.05 N ATOM 321 CA ASP A 21 -3.224 -25.470 -7.393 1.00 0.57 C ATOM 322 C ASP A 21 -3.557 -24.151 -6.687 1.00 0.29 C ATOM 323 O ASP A 21 -4.112 -23.237 -7.237 1.00 1.70 O ATOM 324 CB ASP A 21 -4.490 -26.338 -7.614 1.00 0.76 C ATOM 325 CG ASP A 21 -4.123 -27.829 -7.692 1.00 1.35 C ATOM 326 OD1 ASP A 21 -3.318 -28.247 -6.878 1.00 2.82 O ATOM 327 OD2 ASP A 21 -4.680 -28.470 -8.567 1.00 1.60 O ATOM 0 H ASP A 21 -2.691 -26.985 -5.991 1.00 1.05 H new ATOM 0 HA ASP A 21 -2.791 -25.293 -8.378 1.00 0.57 H new ATOM 0 HB2 ASP A 21 -5.195 -26.175 -6.799 1.00 0.76 H new ATOM 0 HB3 ASP A 21 -4.989 -26.033 -8.534 1.00 0.76 H new ATOM 332 N GLU A 22 -3.104 -24.127 -5.459 1.00 0.66 N ATOM 333 CA GLU A 22 -3.268 -22.974 -4.517 1.00 0.23 C ATOM 334 C GLU A 22 -1.860 -22.549 -3.986 1.00 0.21 C ATOM 335 O GLU A 22 -0.890 -23.220 -4.278 1.00 0.16 O ATOM 336 CB GLU A 22 -4.123 -23.549 -3.365 1.00 0.29 C ATOM 337 CG GLU A 22 -5.258 -22.619 -2.951 1.00 0.29 C ATOM 338 CD GLU A 22 -6.142 -23.340 -1.937 1.00 0.55 C ATOM 339 OE1 GLU A 22 -5.996 -24.548 -1.852 1.00 0.47 O ATOM 340 OE2 GLU A 22 -6.917 -22.647 -1.302 1.00 0.98 O ATOM 0 H GLU A 22 -2.596 -24.910 -5.047 1.00 0.66 H new ATOM 0 HA GLU A 22 -3.728 -22.099 -4.976 1.00 0.23 H new ATOM 0 HB2 GLU A 22 -4.539 -24.509 -3.671 1.00 0.29 H new ATOM 0 HB3 GLU A 22 -3.483 -23.740 -2.504 1.00 0.29 H new ATOM 0 HG2 GLU A 22 -4.856 -21.703 -2.517 1.00 0.29 H new ATOM 0 HG3 GLU A 22 -5.844 -22.328 -3.823 1.00 0.29 H new ATOM 347 N LEU A 23 -1.747 -21.442 -3.244 1.00 0.26 N ATOM 348 CA LEU A 23 -0.372 -21.028 -2.726 1.00 0.24 C ATOM 349 C LEU A 23 -0.417 -20.667 -1.240 1.00 0.18 C ATOM 350 O LEU A 23 -1.475 -20.437 -0.702 1.00 0.16 O ATOM 351 CB LEU A 23 0.172 -19.756 -3.411 1.00 0.28 C ATOM 352 CG LEU A 23 -0.425 -19.550 -4.803 1.00 0.33 C ATOM 353 CD1 LEU A 23 -1.107 -18.178 -4.959 1.00 0.33 C ATOM 354 CD2 LEU A 23 0.723 -19.656 -5.795 1.00 0.36 C ATOM 0 H LEU A 23 -2.519 -20.828 -2.983 1.00 0.26 H new ATOM 0 HA LEU A 23 0.260 -21.891 -2.932 1.00 0.24 H new ATOM 0 HB2 LEU A 23 -0.050 -18.888 -2.790 1.00 0.28 H new ATOM 0 HB3 LEU A 23 1.257 -19.823 -3.489 1.00 0.28 H new ATOM 0 HG LEU A 23 -1.195 -20.302 -4.975 1.00 0.33 H new ATOM 0 HD11 LEU A 23 -1.513 -18.086 -5.966 1.00 0.33 H new ATOM 0 HD12 LEU A 23 -1.915 -18.089 -4.233 1.00 0.33 H new ATOM 0 HD13 LEU A 23 -0.377 -17.387 -4.789 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.344 -19.515 -6.807 1.00 0.36 H new ATOM 0 HD22 LEU A 23 1.465 -18.889 -5.576 1.00 0.36 H new ATOM 0 HD23 LEU A 23 1.184 -20.640 -5.714 1.00 0.36 H new ATOM 366 N THR A 24 0.745 -20.538 -0.632 1.00 0.14 N ATOM 367 CA THR A 24 0.798 -20.185 0.815 1.00 0.09 C ATOM 368 C THR A 24 0.843 -18.694 0.963 1.00 0.02 C ATOM 369 O THR A 24 1.324 -18.177 1.952 1.00 0.08 O ATOM 370 CB THR A 24 2.083 -20.732 1.442 1.00 0.19 C ATOM 371 OG1 THR A 24 2.003 -20.381 2.810 1.00 0.23 O ATOM 372 CG2 THR A 24 3.301 -19.948 0.957 1.00 0.38 C ATOM 0 H THR A 24 1.652 -20.663 -1.081 1.00 0.14 H new ATOM 0 HA THR A 24 -0.081 -20.607 1.303 1.00 0.09 H new ATOM 0 HB THR A 24 2.177 -21.794 1.214 1.00 0.19 H new ATOM 0 HG1 THR A 24 1.834 -19.419 2.892 1.00 0.23 H new ATOM 0 HG21 THR A 24 4.202 -20.355 1.416 1.00 0.38 H new ATOM 0 HG22 THR A 24 3.378 -20.029 -0.127 1.00 0.38 H new ATOM 0 HG23 THR A 24 3.194 -18.900 1.236 1.00 0.38 H new ATOM 380 N PHE A 25 0.362 -18.034 -0.036 1.00 0.09 N ATOM 381 CA PHE A 25 0.364 -16.565 0.015 1.00 0.14 C ATOM 382 C PHE A 25 -0.082 -16.118 1.403 1.00 0.16 C ATOM 383 O PHE A 25 -0.995 -16.681 1.973 1.00 0.17 O ATOM 384 CB PHE A 25 -0.569 -16.052 -1.068 1.00 0.18 C ATOM 385 CG PHE A 25 -1.966 -16.602 -0.854 1.00 0.17 C ATOM 386 CD1 PHE A 25 -2.801 -16.065 0.100 1.00 0.17 C ATOM 387 CD2 PHE A 25 -2.413 -17.634 -1.643 1.00 0.21 C ATOM 388 CE1 PHE A 25 -4.083 -16.560 0.253 1.00 0.18 C ATOM 389 CE2 PHE A 25 -3.661 -18.132 -1.507 1.00 0.26 C ATOM 390 CZ PHE A 25 -4.510 -17.599 -0.554 1.00 0.24 C ATOM 0 H PHE A 25 -0.031 -18.447 -0.882 1.00 0.09 H new ATOM 0 HA PHE A 25 1.360 -16.161 -0.163 1.00 0.14 H new ATOM 0 HB2 PHE A 25 -0.592 -14.962 -1.053 1.00 0.18 H new ATOM 0 HB3 PHE A 25 -0.199 -16.349 -2.049 1.00 0.18 H new ATOM 0 HD1 PHE A 25 -2.455 -15.258 0.728 1.00 0.17 H new ATOM 0 HD2 PHE A 25 -1.753 -18.055 -2.387 1.00 0.21 H new ATOM 0 HE1 PHE A 25 -4.745 -16.139 0.996 1.00 0.18 H new ATOM 0 HE2 PHE A 25 -3.994 -18.942 -2.139 1.00 0.26 H new ATOM 0 HZ PHE A 25 -5.508 -17.995 -0.440 1.00 0.24 H new ATOM 400 N ILE A 26 0.567 -15.116 1.915 1.00 0.18 N ATOM 401 CA ILE A 26 0.213 -14.616 3.271 1.00 0.20 C ATOM 402 C ILE A 26 -0.587 -13.326 3.233 1.00 0.24 C ATOM 403 O ILE A 26 -0.724 -12.701 2.201 1.00 0.31 O ATOM 404 CB ILE A 26 1.525 -14.339 3.994 1.00 0.20 C ATOM 405 CG1 ILE A 26 2.457 -13.577 3.051 1.00 0.31 C ATOM 406 CG2 ILE A 26 2.162 -15.690 4.357 1.00 0.07 C ATOM 407 CD1 ILE A 26 3.470 -12.772 3.872 1.00 0.37 C ATOM 0 H ILE A 26 1.329 -14.619 1.454 1.00 0.18 H new ATOM 0 HA ILE A 26 -0.403 -15.365 3.768 1.00 0.20 H new ATOM 0 HB ILE A 26 1.354 -13.747 4.893 1.00 0.20 H new ATOM 0 HG12 ILE A 26 2.977 -14.275 2.395 1.00 0.31 H new ATOM 0 HG13 ILE A 26 1.879 -12.910 2.412 1.00 0.31 H new ATOM 0 HG21 ILE A 26 3.105 -15.520 4.877 1.00 0.07 H new ATOM 0 HG22 ILE A 26 1.486 -16.249 5.005 1.00 0.07 H new ATOM 0 HG23 ILE A 26 2.347 -16.261 3.447 1.00 0.07 H new ATOM 0 HD11 ILE A 26 4.134 -12.229 3.199 1.00 0.37 H new ATOM 0 HD12 ILE A 26 2.941 -12.064 4.509 1.00 0.37 H new ATOM 0 HD13 ILE A 26 4.057 -13.450 4.492 1.00 0.37 H new ATOM 419 N LYS A 27 -1.100 -12.948 4.375 1.00 0.21 N ATOM 420 CA LYS A 27 -1.889 -11.711 4.434 1.00 0.23 C ATOM 421 C LYS A 27 -1.046 -10.568 3.936 1.00 0.24 C ATOM 422 O LYS A 27 0.037 -10.333 4.426 1.00 0.18 O ATOM 423 CB LYS A 27 -2.306 -11.424 5.884 1.00 0.24 C ATOM 424 CG LYS A 27 -2.917 -10.010 5.968 1.00 0.29 C ATOM 425 CD LYS A 27 -1.921 -9.046 6.628 1.00 0.28 C ATOM 426 CE LYS A 27 -1.985 -9.196 8.152 1.00 0.26 C ATOM 427 NZ LYS A 27 -1.074 -8.211 8.797 1.00 2.60 N ATOM 0 H LYS A 27 -1.000 -13.448 5.258 1.00 0.21 H new ATOM 0 HA LYS A 27 -2.780 -11.823 3.816 1.00 0.23 H new ATOM 0 HB2 LYS A 27 -3.030 -12.166 6.220 1.00 0.24 H new ATOM 0 HB3 LYS A 27 -1.442 -11.499 6.545 1.00 0.24 H new ATOM 0 HG2 LYS A 27 -3.172 -9.655 4.969 1.00 0.29 H new ATOM 0 HG3 LYS A 27 -3.843 -10.039 6.542 1.00 0.29 H new ATOM 0 HD2 LYS A 27 -0.911 -9.254 6.275 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -2.152 -8.019 6.344 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -3.007 -9.041 8.499 1.00 0.26 H new ATOM 0 HE3 LYS A 27 -1.701 -10.209 8.439 1.00 0.26 H new ATOM 0 HZ1 LYS A 27 -1.122 -8.318 9.830 1.00 2.60 H new ATOM 0 HZ2 LYS A 27 -0.099 -8.379 8.477 1.00 2.60 H new ATOM 0 HZ3 LYS A 27 -1.364 -7.247 8.535 1.00 2.60 H new ATOM 441 N SER A 28 -1.597 -9.934 2.949 1.00 0.33 N ATOM 442 CA SER A 28 -0.971 -8.762 2.273 1.00 0.38 C ATOM 443 C SER A 28 -0.598 -9.128 0.845 1.00 0.36 C ATOM 444 O SER A 28 -0.318 -8.269 0.033 1.00 0.39 O ATOM 445 CB SER A 28 0.297 -8.282 3.000 1.00 0.46 C ATOM 446 OG SER A 28 0.643 -7.080 2.325 1.00 0.65 O ATOM 0 H SER A 28 -2.504 -10.192 2.560 1.00 0.33 H new ATOM 0 HA SER A 28 -1.704 -7.955 2.288 1.00 0.38 H new ATOM 0 HB2 SER A 28 0.108 -8.105 4.059 1.00 0.46 H new ATOM 0 HB3 SER A 28 1.097 -9.020 2.938 1.00 0.46 H new ATOM 0 HG SER A 28 0.272 -7.096 1.418 1.00 0.65 H new ATOM 452 N ALA A 29 -0.604 -10.406 0.564 1.00 0.33 N ATOM 453 CA ALA A 29 -0.256 -10.844 -0.805 1.00 0.34 C ATOM 454 C ALA A 29 -1.161 -10.117 -1.783 1.00 0.28 C ATOM 455 O ALA A 29 -2.332 -9.951 -1.509 1.00 0.20 O ATOM 456 CB ALA A 29 -0.507 -12.354 -0.907 1.00 0.32 C ATOM 0 H ALA A 29 -0.833 -11.152 1.221 1.00 0.33 H new ATOM 0 HA ALA A 29 0.788 -10.625 -1.030 1.00 0.34 H new ATOM 0 HB1 ALA A 29 -0.256 -12.698 -1.911 1.00 0.32 H new ATOM 0 HB2 ALA A 29 0.114 -12.876 -0.179 1.00 0.32 H new ATOM 0 HB3 ALA A 29 -1.557 -12.563 -0.704 1.00 0.32 H new ATOM 462 N ILE A 30 -0.624 -9.709 -2.904 1.00 0.31 N ATOM 463 CA ILE A 30 -1.469 -8.987 -3.887 1.00 0.26 C ATOM 464 C ILE A 30 -1.525 -9.724 -5.220 1.00 0.36 C ATOM 465 O ILE A 30 -0.944 -9.306 -6.204 1.00 0.93 O ATOM 466 CB ILE A 30 -0.867 -7.602 -4.092 1.00 0.25 C ATOM 467 CG1 ILE A 30 -0.279 -7.102 -2.772 1.00 0.25 C ATOM 468 CG2 ILE A 30 -2.000 -6.660 -4.515 1.00 0.26 C ATOM 469 CD1 ILE A 30 0.062 -5.614 -2.897 1.00 0.25 C ATOM 0 H ILE A 30 0.350 -9.844 -3.174 1.00 0.31 H new ATOM 0 HA ILE A 30 -2.488 -8.920 -3.506 1.00 0.26 H new ATOM 0 HB ILE A 30 -0.082 -7.636 -4.848 1.00 0.25 H new ATOM 0 HG12 ILE A 30 -0.992 -7.256 -1.962 1.00 0.25 H new ATOM 0 HG13 ILE A 30 0.616 -7.671 -2.521 1.00 0.25 H new ATOM 0 HG21 ILE A 30 -1.601 -5.658 -4.670 1.00 0.26 H new ATOM 0 HG22 ILE A 30 -2.446 -7.020 -5.442 1.00 0.26 H new ATOM 0 HG23 ILE A 30 -2.760 -6.631 -3.734 1.00 0.26 H new ATOM 0 HD11 ILE A 30 0.481 -5.257 -1.956 1.00 0.25 H new ATOM 0 HD12 ILE A 30 0.790 -5.473 -3.696 1.00 0.25 H new ATOM 0 HD13 ILE A 30 -0.843 -5.052 -3.128 1.00 0.25 H new ATOM 481 N ILE A 31 -2.232 -10.812 -5.221 1.00 0.37 N ATOM 482 CA ILE A 31 -2.356 -11.605 -6.463 1.00 0.32 C ATOM 483 C ILE A 31 -2.971 -10.725 -7.559 1.00 0.26 C ATOM 484 O ILE A 31 -3.786 -9.877 -7.261 1.00 0.37 O ATOM 485 CB ILE A 31 -3.254 -12.796 -6.141 1.00 0.37 C ATOM 486 CG1 ILE A 31 -2.640 -13.559 -4.951 1.00 0.41 C ATOM 487 CG2 ILE A 31 -3.304 -13.712 -7.373 1.00 0.33 C ATOM 488 CD1 ILE A 31 -3.622 -14.595 -4.412 1.00 0.31 C ATOM 0 H ILE A 31 -2.730 -11.186 -4.413 1.00 0.37 H new ATOM 0 HA ILE A 31 -1.389 -11.957 -6.822 1.00 0.32 H new ATOM 0 HB ILE A 31 -4.262 -12.468 -5.887 1.00 0.37 H new ATOM 0 HG12 ILE A 31 -1.719 -14.051 -5.264 1.00 0.41 H new ATOM 0 HG13 ILE A 31 -2.373 -12.857 -4.161 1.00 0.41 H new ATOM 0 HG21 ILE A 31 -3.942 -14.570 -7.162 1.00 0.33 H new ATOM 0 HG22 ILE A 31 -3.708 -13.159 -8.221 1.00 0.33 H new ATOM 0 HG23 ILE A 31 -2.298 -14.057 -7.611 1.00 0.33 H new ATOM 0 HD11 ILE A 31 -3.170 -15.123 -3.572 1.00 0.31 H new ATOM 0 HD12 ILE A 31 -4.532 -14.095 -4.079 1.00 0.31 H new ATOM 0 HD13 ILE A 31 -3.867 -15.308 -5.199 1.00 0.31 H new ATOM 500 N GLN A 32 -2.579 -10.940 -8.799 1.00 0.13 N ATOM 501 CA GLN A 32 -3.145 -10.100 -9.908 1.00 0.14 C ATOM 502 C GLN A 32 -3.944 -10.939 -10.902 1.00 0.02 C ATOM 503 O GLN A 32 -3.871 -12.151 -10.890 1.00 0.03 O ATOM 504 CB GLN A 32 -1.977 -9.415 -10.634 1.00 0.29 C ATOM 505 CG GLN A 32 -0.995 -10.469 -11.157 1.00 2.12 C ATOM 506 CD GLN A 32 0.415 -9.871 -11.242 1.00 1.97 C ATOM 507 OE1 GLN A 32 0.680 -8.784 -10.763 1.00 1.22 O ATOM 508 NE2 GLN A 32 1.352 -10.552 -11.843 1.00 4.06 N ATOM 0 H GLN A 32 -1.904 -11.648 -9.086 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.826 -9.364 -9.480 1.00 0.14 H new ATOM 0 HB2 GLN A 32 -2.354 -8.815 -11.462 1.00 0.29 H new ATOM 0 HB3 GLN A 32 -1.465 -8.734 -9.954 1.00 0.29 H new ATOM 0 HG2 GLN A 32 -0.993 -11.336 -10.497 1.00 2.12 H new ATOM 0 HG3 GLN A 32 -1.312 -10.818 -12.140 1.00 2.12 H new ATOM 0 HE21 GLN A 32 1.140 -11.464 -12.248 1.00 4.06 H new ATOM 0 HE22 GLN A 32 2.296 -10.172 -11.908 1.00 4.06 H new ATOM 517 N ASN A 33 -4.690 -10.273 -11.754 1.00 0.08 N ATOM 518 CA ASN A 33 -5.499 -11.027 -12.745 1.00 0.18 C ATOM 519 C ASN A 33 -6.260 -12.068 -11.971 1.00 0.24 C ATOM 520 O ASN A 33 -5.799 -13.175 -11.772 1.00 0.39 O ATOM 521 CB ASN A 33 -4.576 -11.689 -13.774 1.00 0.34 C ATOM 522 CG ASN A 33 -4.462 -10.777 -14.999 1.00 0.67 C ATOM 523 OD1 ASN A 33 -3.492 -10.065 -15.166 1.00 1.07 O ATOM 524 ND2 ASN A 33 -5.432 -10.765 -15.873 1.00 1.32 N ATOM 0 H ASN A 33 -4.768 -9.257 -11.801 1.00 0.08 H new ATOM 0 HA ASN A 33 -6.180 -10.372 -13.288 1.00 0.18 H new ATOM 0 HB2 ASN A 33 -3.591 -11.862 -13.340 1.00 0.34 H new ATOM 0 HB3 ASN A 33 -4.972 -12.662 -14.064 1.00 0.34 H new ATOM 0 HD21 ASN A 33 -5.373 -10.160 -16.692 1.00 1.32 H new ATOM 0 HD22 ASN A 33 -6.248 -11.361 -15.737 1.00 1.32 H new ATOM 531 N VAL A 34 -7.429 -11.679 -11.560 1.00 0.21 N ATOM 532 CA VAL A 34 -8.272 -12.598 -10.778 1.00 0.28 C ATOM 533 C VAL A 34 -9.689 -12.756 -11.309 1.00 0.23 C ATOM 534 O VAL A 34 -10.132 -12.001 -12.147 1.00 0.26 O ATOM 535 CB VAL A 34 -8.286 -11.948 -9.394 1.00 0.36 C ATOM 536 CG1 VAL A 34 -9.708 -11.669 -8.899 1.00 0.36 C ATOM 537 CG2 VAL A 34 -7.565 -12.860 -8.439 1.00 0.42 C ATOM 0 H VAL A 34 -7.833 -10.759 -11.736 1.00 0.21 H new ATOM 0 HA VAL A 34 -7.877 -13.614 -10.805 1.00 0.28 H new ATOM 0 HB VAL A 34 -7.785 -10.982 -9.454 1.00 0.36 H new ATOM 0 HG11 VAL A 34 -9.666 -11.207 -7.912 1.00 0.36 H new ATOM 0 HG12 VAL A 34 -10.209 -10.995 -9.594 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -10.262 -12.606 -8.838 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -7.562 -12.416 -7.444 1.00 0.42 H new ATOM 0 HG22 VAL A 34 -8.071 -13.825 -8.405 1.00 0.42 H new ATOM 0 HG23 VAL A 34 -6.538 -13.001 -8.776 1.00 0.42 H new ATOM 547 N GLU A 35 -10.372 -13.755 -10.790 1.00 0.16 N ATOM 548 CA GLU A 35 -11.766 -14.006 -11.230 1.00 0.18 C ATOM 549 C GLU A 35 -12.398 -15.196 -10.489 1.00 0.18 C ATOM 550 O GLU A 35 -12.152 -16.337 -10.830 1.00 0.25 O ATOM 551 CB GLU A 35 -11.742 -14.325 -12.731 1.00 0.15 C ATOM 552 CG GLU A 35 -12.544 -13.261 -13.485 1.00 0.60 C ATOM 553 CD GLU A 35 -12.676 -13.671 -14.953 1.00 0.78 C ATOM 554 OE1 GLU A 35 -13.201 -14.752 -15.168 1.00 0.93 O ATOM 555 OE2 GLU A 35 -12.247 -12.879 -15.777 1.00 0.92 O ATOM 0 H GLU A 35 -10.016 -14.399 -10.084 1.00 0.16 H new ATOM 0 HA GLU A 35 -12.361 -13.119 -11.012 1.00 0.18 H new ATOM 0 HB2 GLU A 35 -10.714 -14.348 -13.094 1.00 0.15 H new ATOM 0 HB3 GLU A 35 -12.166 -15.313 -12.912 1.00 0.15 H new ATOM 0 HG2 GLU A 35 -13.531 -13.148 -13.037 1.00 0.60 H new ATOM 0 HG3 GLU A 35 -12.047 -12.294 -13.409 1.00 0.60 H new ATOM 562 N LYS A 36 -13.185 -14.909 -9.474 1.00 0.33 N ATOM 563 CA LYS A 36 -13.839 -16.025 -8.712 1.00 0.36 C ATOM 564 C LYS A 36 -14.427 -16.969 -9.735 1.00 0.60 C ATOM 565 O LYS A 36 -15.498 -16.749 -10.265 1.00 1.50 O ATOM 566 CB LYS A 36 -14.954 -15.435 -7.833 1.00 0.64 C ATOM 567 CG LYS A 36 -14.810 -13.910 -7.803 1.00 0.76 C ATOM 568 CD LYS A 36 -15.786 -13.315 -6.790 1.00 1.02 C ATOM 569 CE LYS A 36 -15.630 -11.792 -6.794 1.00 1.05 C ATOM 570 NZ LYS A 36 -16.769 -11.147 -6.084 1.00 2.24 N ATOM 0 H LYS A 36 -13.400 -13.968 -9.145 1.00 0.33 H new ATOM 0 HA LYS A 36 -13.130 -16.550 -8.072 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -15.931 -15.713 -8.227 1.00 0.64 H new ATOM 0 HB3 LYS A 36 -14.891 -15.839 -6.823 1.00 0.64 H new ATOM 0 HG2 LYS A 36 -13.788 -13.638 -7.539 1.00 0.76 H new ATOM 0 HG3 LYS A 36 -15.004 -13.498 -8.793 1.00 0.76 H new ATOM 0 HD2 LYS A 36 -16.809 -13.591 -7.044 1.00 1.02 H new ATOM 0 HD3 LYS A 36 -15.587 -13.713 -5.795 1.00 1.02 H new ATOM 0 HE2 LYS A 36 -14.691 -11.516 -6.313 1.00 1.05 H new ATOM 0 HE3 LYS A 36 -15.581 -11.429 -7.820 1.00 1.05 H new ATOM 0 HZ1 LYS A 36 -16.646 -10.114 -6.097 1.00 2.24 H new ATOM 0 HZ2 LYS A 36 -17.660 -11.396 -6.559 1.00 2.24 H new ATOM 0 HZ3 LYS A 36 -16.798 -11.480 -5.099 1.00 2.24 H new ATOM 584 N GLN A 37 -13.696 -18.005 -9.995 1.00 1.11 N ATOM 585 CA GLN A 37 -14.151 -18.996 -10.983 1.00 1.19 C ATOM 586 C GLN A 37 -14.792 -20.241 -10.362 1.00 1.21 C ATOM 587 O GLN A 37 -14.386 -20.731 -9.328 1.00 1.26 O ATOM 588 CB GLN A 37 -12.899 -19.376 -11.778 1.00 1.39 C ATOM 589 CG GLN A 37 -13.144 -20.656 -12.581 1.00 0.96 C ATOM 590 CD GLN A 37 -12.008 -20.831 -13.590 1.00 2.01 C ATOM 591 OE1 GLN A 37 -10.869 -20.513 -13.316 1.00 3.38 O ATOM 592 NE2 GLN A 37 -12.274 -21.331 -14.764 1.00 2.18 N ATOM 0 H GLN A 37 -12.796 -18.207 -9.560 1.00 1.11 H new ATOM 0 HA GLN A 37 -14.938 -18.566 -11.602 1.00 1.19 H new ATOM 0 HB2 GLN A 37 -12.628 -18.563 -12.452 1.00 1.39 H new ATOM 0 HB3 GLN A 37 -12.059 -19.521 -11.098 1.00 1.39 H new ATOM 0 HG2 GLN A 37 -13.192 -21.517 -11.914 1.00 0.96 H new ATOM 0 HG3 GLN A 37 -14.102 -20.600 -13.098 1.00 0.96 H new ATOM 0 HE21 GLN A 37 -13.229 -21.600 -14.999 1.00 2.18 H new ATOM 0 HE22 GLN A 37 -11.527 -21.453 -15.447 1.00 2.18 H new ATOM 601 N GLU A 38 -15.799 -20.707 -11.051 1.00 1.31 N ATOM 602 CA GLU A 38 -16.562 -21.913 -10.626 1.00 1.37 C ATOM 603 C GLU A 38 -17.082 -21.863 -9.193 1.00 1.14 C ATOM 604 O GLU A 38 -17.480 -22.874 -8.651 1.00 1.22 O ATOM 605 CB GLU A 38 -15.658 -23.133 -10.801 1.00 1.59 C ATOM 606 CG GLU A 38 -15.877 -23.711 -12.202 1.00 1.90 C ATOM 607 CD GLU A 38 -14.647 -24.517 -12.616 1.00 3.20 C ATOM 608 OE1 GLU A 38 -14.351 -25.461 -11.900 1.00 3.17 O ATOM 609 OE2 GLU A 38 -14.070 -24.144 -13.625 1.00 4.76 O ATOM 0 H GLU A 38 -16.133 -20.287 -11.918 1.00 1.31 H new ATOM 0 HA GLU A 38 -17.451 -21.965 -11.255 1.00 1.37 H new ATOM 0 HB2 GLU A 38 -14.614 -22.851 -10.668 1.00 1.59 H new ATOM 0 HB3 GLU A 38 -15.885 -23.883 -10.043 1.00 1.59 H new ATOM 0 HG2 GLU A 38 -16.762 -24.347 -12.211 1.00 1.90 H new ATOM 0 HG3 GLU A 38 -16.055 -22.907 -12.916 1.00 1.90 H new ATOM 616 N GLY A 39 -17.087 -20.709 -8.603 1.00 0.90 N ATOM 617 CA GLY A 39 -17.590 -20.626 -7.209 1.00 0.72 C ATOM 618 C GLY A 39 -16.898 -19.517 -6.426 1.00 0.59 C ATOM 619 O GLY A 39 -16.633 -18.446 -6.936 1.00 0.92 O ATOM 0 H GLY A 39 -16.771 -19.831 -9.015 1.00 0.90 H new ATOM 0 HA2 GLY A 39 -18.665 -20.447 -7.220 1.00 0.72 H new ATOM 0 HA3 GLY A 39 -17.430 -21.580 -6.707 1.00 0.72 H new ATOM 623 N GLY A 40 -16.623 -19.820 -5.196 1.00 0.28 N ATOM 624 CA GLY A 40 -15.947 -18.839 -4.309 1.00 0.24 C ATOM 625 C GLY A 40 -14.453 -19.141 -4.270 1.00 0.29 C ATOM 626 O GLY A 40 -13.853 -19.217 -3.214 1.00 0.33 O ATOM 0 H GLY A 40 -16.839 -20.716 -4.760 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -16.115 -17.826 -4.673 1.00 0.24 H new ATOM 0 HA3 GLY A 40 -16.366 -18.890 -3.304 1.00 0.24 H new ATOM 630 N TRP A 41 -13.893 -19.328 -5.430 1.00 0.27 N ATOM 631 CA TRP A 41 -12.448 -19.631 -5.518 1.00 0.32 C ATOM 632 C TRP A 41 -11.884 -18.723 -6.572 1.00 0.28 C ATOM 633 O TRP A 41 -12.464 -18.566 -7.619 1.00 0.38 O ATOM 634 CB TRP A 41 -12.285 -21.117 -5.820 1.00 0.35 C ATOM 635 CG TRP A 41 -12.855 -21.797 -4.579 1.00 0.36 C ATOM 636 CD1 TRP A 41 -14.172 -21.952 -4.373 1.00 0.38 C ATOM 637 CD2 TRP A 41 -12.204 -21.935 -3.413 1.00 0.34 C ATOM 638 NE1 TRP A 41 -14.272 -22.150 -3.059 1.00 0.38 N ATOM 639 CE2 TRP A 41 -13.101 -22.143 -2.386 1.00 0.35 C ATOM 640 CE3 TRP A 41 -10.853 -21.862 -3.133 1.00 0.32 C ATOM 641 CZ2 TRP A 41 -12.660 -22.248 -1.082 1.00 0.33 C ATOM 642 CZ3 TRP A 41 -10.406 -21.980 -1.831 1.00 0.31 C ATOM 643 CH2 TRP A 41 -11.317 -22.167 -0.796 1.00 0.32 C ATOM 0 H TRP A 41 -14.381 -19.283 -6.325 1.00 0.27 H new ATOM 0 HA TRP A 41 -11.903 -19.450 -4.592 1.00 0.32 H new ATOM 0 HB2 TRP A 41 -12.827 -21.405 -6.721 1.00 0.35 H new ATOM 0 HB3 TRP A 41 -11.240 -21.382 -5.979 1.00 0.35 H new ATOM 0 HD1 TRP A 41 -14.967 -21.923 -5.103 1.00 0.38 H new ATOM 0 HE1 TRP A 41 -15.168 -22.296 -2.595 1.00 0.38 H new ATOM 0 HE3 TRP A 41 -10.144 -21.712 -3.934 1.00 0.32 H new ATOM 0 HZ2 TRP A 41 -13.372 -22.394 -0.283 1.00 0.33 H new ATOM 0 HZ3 TRP A 41 -9.349 -21.927 -1.616 1.00 0.31 H new ATOM 0 HH2 TRP A 41 -10.972 -22.248 0.224 1.00 0.32 H new ATOM 654 N TRP A 42 -10.757 -18.165 -6.281 1.00 0.15 N ATOM 655 CA TRP A 42 -10.117 -17.236 -7.231 1.00 0.14 C ATOM 656 C TRP A 42 -8.857 -17.769 -7.902 1.00 0.20 C ATOM 657 O TRP A 42 -8.272 -18.707 -7.442 1.00 0.24 O ATOM 658 CB TRP A 42 -9.643 -16.099 -6.342 1.00 0.16 C ATOM 659 CG TRP A 42 -10.831 -15.409 -5.682 1.00 0.20 C ATOM 660 CD1 TRP A 42 -11.898 -16.057 -5.176 1.00 0.22 C ATOM 661 CD2 TRP A 42 -11.013 -14.101 -5.623 1.00 0.32 C ATOM 662 NE1 TRP A 42 -12.715 -15.067 -4.874 1.00 0.36 N ATOM 663 CE2 TRP A 42 -12.250 -13.835 -5.092 1.00 0.42 C ATOM 664 CE3 TRP A 42 -10.150 -13.069 -5.885 1.00 0.40 C ATOM 665 CZ2 TRP A 42 -12.647 -12.560 -4.825 1.00 0.56 C ATOM 666 CZ3 TRP A 42 -10.541 -11.771 -5.606 1.00 0.54 C ATOM 667 CH2 TRP A 42 -11.790 -11.517 -5.078 1.00 0.61 C ATOM 0 H TRP A 42 -10.244 -18.315 -5.412 1.00 0.15 H new ATOM 0 HA TRP A 42 -10.826 -17.003 -8.025 1.00 0.14 H new ATOM 0 HB2 TRP A 42 -8.968 -16.484 -5.578 1.00 0.16 H new ATOM 0 HB3 TRP A 42 -9.078 -15.378 -6.933 1.00 0.16 H new ATOM 0 HD1 TRP A 42 -12.047 -17.119 -5.050 1.00 0.22 H new ATOM 0 HE1 TRP A 42 -13.648 -15.233 -4.496 1.00 0.36 H new ATOM 0 HE3 TRP A 42 -9.175 -13.267 -6.305 1.00 0.40 H new ATOM 0 HZ2 TRP A 42 -13.629 -12.370 -4.417 1.00 0.56 H new ATOM 0 HZ3 TRP A 42 -9.865 -10.952 -5.803 1.00 0.54 H new ATOM 0 HH2 TRP A 42 -12.093 -10.502 -4.865 1.00 0.61 H new ATOM 678 N ARG A 43 -8.461 -17.120 -8.974 1.00 0.25 N ATOM 679 CA ARG A 43 -7.231 -17.556 -9.698 1.00 0.34 C ATOM 680 C ARG A 43 -6.336 -16.326 -9.874 1.00 0.34 C ATOM 681 O ARG A 43 -6.753 -15.241 -9.562 1.00 0.35 O ATOM 682 CB ARG A 43 -7.589 -18.078 -11.095 1.00 0.44 C ATOM 683 CG ARG A 43 -8.046 -19.545 -11.034 1.00 1.13 C ATOM 684 CD ARG A 43 -7.696 -20.233 -12.357 1.00 0.87 C ATOM 685 NE ARG A 43 -8.059 -19.326 -13.481 1.00 1.97 N ATOM 686 CZ ARG A 43 -8.587 -19.822 -14.565 1.00 2.18 C ATOM 687 NH1 ARG A 43 -8.036 -20.872 -15.117 1.00 2.32 N ATOM 688 NH2 ARG A 43 -9.649 -19.250 -15.065 1.00 2.29 N ATOM 0 H ARG A 43 -8.937 -16.311 -9.374 1.00 0.25 H new ATOM 0 HA ARG A 43 -6.736 -18.346 -9.133 1.00 0.34 H new ATOM 0 HB2 ARG A 43 -8.381 -17.464 -11.525 1.00 0.44 H new ATOM 0 HB3 ARG A 43 -6.724 -17.990 -11.753 1.00 0.44 H new ATOM 0 HG2 ARG A 43 -7.559 -20.057 -10.204 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -9.120 -19.597 -10.855 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -6.632 -20.468 -12.390 1.00 0.87 H new ATOM 0 HD3 ARG A 43 -8.234 -21.177 -12.445 1.00 0.87 H new ATOM 0 HE ARG A 43 -7.895 -18.322 -13.403 1.00 1.97 H new ATOM 0 HH11 ARG A 43 -7.205 -21.291 -14.699 1.00 2.32 H new ATOM 0 HH12 ARG A 43 -8.437 -21.272 -15.965 1.00 2.32 H new ATOM 0 HH21 ARG A 43 -10.050 -18.431 -14.608 1.00 2.29 H new ATOM 0 HH22 ARG A 43 -10.078 -19.622 -15.912 1.00 2.29 H new ATOM 702 N GLY A 44 -5.135 -16.500 -10.370 1.00 0.37 N ATOM 703 CA GLY A 44 -4.237 -15.324 -10.552 1.00 0.39 C ATOM 704 C GLY A 44 -2.792 -15.686 -10.170 1.00 0.39 C ATOM 705 O GLY A 44 -2.549 -16.558 -9.359 1.00 0.50 O ATOM 0 H GLY A 44 -4.743 -17.398 -10.654 1.00 0.37 H new ATOM 0 HA2 GLY A 44 -4.272 -14.989 -11.589 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -4.585 -14.494 -9.937 1.00 0.39 H new ATOM 709 N ASP A 45 -1.876 -15.008 -10.782 1.00 0.29 N ATOM 710 CA ASP A 45 -0.427 -15.259 -10.505 1.00 0.29 C ATOM 711 C ASP A 45 0.008 -14.735 -9.130 1.00 0.27 C ATOM 712 O ASP A 45 -0.543 -13.783 -8.621 1.00 0.27 O ATOM 713 CB ASP A 45 0.380 -14.507 -11.574 1.00 0.32 C ATOM 714 CG ASP A 45 1.846 -14.417 -11.142 1.00 1.60 C ATOM 715 OD1 ASP A 45 2.101 -13.624 -10.252 1.00 0.44 O ATOM 716 OD2 ASP A 45 2.628 -15.143 -11.732 1.00 3.91 O ATOM 0 H ASP A 45 -2.061 -14.280 -11.472 1.00 0.29 H new ATOM 0 HA ASP A 45 -0.255 -16.335 -10.521 1.00 0.29 H new ATOM 0 HB2 ASP A 45 0.304 -15.022 -12.531 1.00 0.32 H new ATOM 0 HB3 ASP A 45 -0.030 -13.507 -11.717 1.00 0.32 H new ATOM 721 N TYR A 46 1.012 -15.361 -8.564 1.00 0.29 N ATOM 722 CA TYR A 46 1.498 -14.912 -7.228 1.00 0.25 C ATOM 723 C TYR A 46 2.988 -15.215 -7.074 1.00 0.29 C ATOM 724 O TYR A 46 3.424 -15.712 -6.054 1.00 0.42 O ATOM 725 CB TYR A 46 0.708 -15.654 -6.129 1.00 0.44 C ATOM 726 CG TYR A 46 1.054 -15.033 -4.771 1.00 0.46 C ATOM 727 CD1 TYR A 46 0.970 -13.663 -4.599 1.00 0.44 C ATOM 728 CD2 TYR A 46 1.612 -15.796 -3.752 1.00 0.50 C ATOM 729 CE1 TYR A 46 1.455 -13.071 -3.475 1.00 0.46 C ATOM 730 CE2 TYR A 46 2.099 -15.187 -2.621 1.00 0.52 C ATOM 731 CZ TYR A 46 2.023 -13.820 -2.468 1.00 0.49 C ATOM 732 OH TYR A 46 2.515 -13.215 -1.330 1.00 0.51 O ATOM 0 H TYR A 46 1.509 -16.155 -8.967 1.00 0.29 H new ATOM 0 HA TYR A 46 1.347 -13.836 -7.137 1.00 0.25 H new ATOM 0 HB2 TYR A 46 -0.363 -15.579 -6.317 1.00 0.44 H new ATOM 0 HB3 TYR A 46 0.959 -16.715 -6.134 1.00 0.44 H new ATOM 0 HD1 TYR A 46 0.514 -13.056 -5.367 1.00 0.44 H new ATOM 0 HD2 TYR A 46 1.663 -16.870 -3.850 1.00 0.50 H new ATOM 0 HE1 TYR A 46 1.394 -11.998 -3.370 1.00 0.46 H new ATOM 0 HE2 TYR A 46 2.547 -15.787 -1.843 1.00 0.52 H new ATOM 0 HH TYR A 46 2.878 -13.897 -0.727 1.00 0.51 H new ATOM 742 N GLY A 47 3.741 -14.905 -8.101 1.00 0.45 N ATOM 743 CA GLY A 47 5.213 -15.159 -8.050 1.00 0.77 C ATOM 744 C GLY A 47 5.585 -16.511 -8.673 1.00 0.32 C ATOM 745 O GLY A 47 5.205 -17.552 -8.179 1.00 2.49 O ATOM 0 H GLY A 47 3.401 -14.489 -8.968 1.00 0.45 H new ATOM 0 HA2 GLY A 47 5.737 -14.361 -8.576 1.00 0.77 H new ATOM 0 HA3 GLY A 47 5.550 -15.132 -7.014 1.00 0.77 H new ATOM 749 N GLY A 48 6.328 -16.455 -9.750 1.00 1.31 N ATOM 750 CA GLY A 48 6.750 -17.713 -10.437 1.00 0.51 C ATOM 751 C GLY A 48 5.572 -18.410 -11.120 1.00 0.49 C ATOM 752 O GLY A 48 5.485 -18.435 -12.331 1.00 0.87 O ATOM 0 H GLY A 48 6.660 -15.593 -10.183 1.00 1.31 H new ATOM 0 HA2 GLY A 48 7.516 -17.483 -11.178 1.00 0.51 H new ATOM 0 HA3 GLY A 48 7.202 -18.390 -9.711 1.00 0.51 H new ATOM 756 N LYS A 49 4.687 -18.956 -10.333 1.00 0.13 N ATOM 757 CA LYS A 49 3.519 -19.655 -10.930 1.00 0.10 C ATOM 758 C LYS A 49 2.602 -18.670 -11.630 1.00 0.15 C ATOM 759 O LYS A 49 2.832 -17.478 -11.590 1.00 0.20 O ATOM 760 CB LYS A 49 2.745 -20.347 -9.806 1.00 0.04 C ATOM 761 CG LYS A 49 3.680 -21.355 -9.111 1.00 0.54 C ATOM 762 CD LYS A 49 4.289 -20.749 -7.833 1.00 3.56 C ATOM 763 CE LYS A 49 5.748 -21.198 -7.705 1.00 4.24 C ATOM 764 NZ LYS A 49 5.881 -22.656 -7.979 1.00 3.94 N ATOM 0 H LYS A 49 4.722 -18.948 -9.314 1.00 0.13 H new ATOM 0 HA LYS A 49 3.872 -20.380 -11.663 1.00 0.10 H new ATOM 0 HB2 LYS A 49 2.382 -19.611 -9.088 1.00 0.04 H new ATOM 0 HB3 LYS A 49 1.870 -20.858 -10.208 1.00 0.04 H new ATOM 0 HG2 LYS A 49 3.125 -22.259 -8.861 1.00 0.54 H new ATOM 0 HG3 LYS A 49 4.477 -21.649 -9.794 1.00 0.54 H new ATOM 0 HD2 LYS A 49 4.233 -19.661 -7.870 1.00 3.56 H new ATOM 0 HD3 LYS A 49 3.721 -21.067 -6.959 1.00 3.56 H new ATOM 0 HE2 LYS A 49 6.369 -20.635 -8.402 1.00 4.24 H new ATOM 0 HE3 LYS A 49 6.114 -20.977 -6.702 1.00 4.24 H new ATOM 0 HZ1 LYS A 49 6.727 -23.024 -7.499 1.00 3.94 H new ATOM 0 HZ2 LYS A 49 5.039 -23.154 -7.626 1.00 3.94 H new ATOM 0 HZ3 LYS A 49 5.970 -22.810 -9.004 1.00 3.94 H new ATOM 778 N LYS A 50 1.582 -19.179 -12.271 1.00 0.16 N ATOM 779 CA LYS A 50 0.656 -18.261 -12.973 1.00 0.22 C ATOM 780 C LYS A 50 -0.784 -18.768 -12.985 1.00 0.29 C ATOM 781 O LYS A 50 -1.150 -19.608 -13.780 1.00 0.31 O ATOM 782 CB LYS A 50 1.134 -18.085 -14.419 1.00 0.16 C ATOM 783 CG LYS A 50 1.003 -16.603 -14.789 1.00 0.24 C ATOM 784 CD LYS A 50 1.209 -16.416 -16.302 1.00 0.77 C ATOM 785 CE LYS A 50 2.709 -16.369 -16.611 1.00 2.48 C ATOM 786 NZ LYS A 50 3.349 -15.203 -15.937 1.00 2.01 N ATOM 0 H LYS A 50 1.358 -20.172 -12.335 1.00 0.16 H new ATOM 0 HA LYS A 50 0.663 -17.314 -12.433 1.00 0.22 H new ATOM 0 HB2 LYS A 50 2.169 -18.412 -14.520 1.00 0.16 H new ATOM 0 HB3 LYS A 50 0.538 -18.700 -15.094 1.00 0.16 H new ATOM 0 HG2 LYS A 50 0.019 -16.233 -14.500 1.00 0.24 H new ATOM 0 HG3 LYS A 50 1.739 -16.016 -14.239 1.00 0.24 H new ATOM 0 HD2 LYS A 50 0.740 -17.235 -16.848 1.00 0.77 H new ATOM 0 HD3 LYS A 50 0.729 -15.495 -16.634 1.00 0.77 H new ATOM 0 HE2 LYS A 50 3.183 -17.293 -16.279 1.00 2.48 H new ATOM 0 HE3 LYS A 50 2.862 -16.302 -17.688 1.00 2.48 H new ATOM 0 HZ1 LYS A 50 4.169 -14.888 -16.493 1.00 2.01 H new ATOM 0 HZ2 LYS A 50 2.662 -14.426 -15.862 1.00 2.01 H new ATOM 0 HZ3 LYS A 50 3.663 -15.481 -14.985 1.00 2.01 H new ATOM 800 N GLN A 51 -1.550 -18.247 -12.065 1.00 0.33 N ATOM 801 CA GLN A 51 -2.991 -18.625 -11.935 1.00 0.40 C ATOM 802 C GLN A 51 -3.222 -19.919 -11.176 1.00 0.31 C ATOM 803 O GLN A 51 -3.513 -20.946 -11.756 1.00 0.40 O ATOM 804 CB GLN A 51 -3.655 -18.732 -13.326 1.00 0.58 C ATOM 805 CG GLN A 51 -3.206 -17.566 -14.217 1.00 0.64 C ATOM 806 CD GLN A 51 -4.442 -16.863 -14.787 1.00 0.68 C ATOM 807 OE1 GLN A 51 -5.154 -17.404 -15.610 1.00 1.23 O ATOM 808 NE2 GLN A 51 -4.731 -15.656 -14.377 1.00 0.35 N ATOM 0 H GLN A 51 -1.232 -17.560 -11.382 1.00 0.33 H new ATOM 0 HA GLN A 51 -3.447 -17.825 -11.352 1.00 0.40 H new ATOM 0 HB2 GLN A 51 -3.388 -19.680 -13.793 1.00 0.58 H new ATOM 0 HB3 GLN A 51 -4.740 -18.723 -13.221 1.00 0.58 H new ATOM 0 HG2 GLN A 51 -2.606 -16.862 -13.640 1.00 0.64 H new ATOM 0 HG3 GLN A 51 -2.576 -17.933 -15.027 1.00 0.64 H new ATOM 0 HE21 GLN A 51 -4.138 -15.196 -13.686 1.00 0.35 H new ATOM 0 HE22 GLN A 51 -5.550 -15.174 -14.748 1.00 0.35 H new ATOM 817 N LEU A 52 -3.081 -19.830 -9.880 1.00 0.17 N ATOM 818 CA LEU A 52 -3.287 -21.021 -9.021 1.00 0.19 C ATOM 819 C LEU A 52 -4.663 -20.862 -8.364 1.00 0.19 C ATOM 820 O LEU A 52 -5.617 -20.622 -9.072 1.00 0.19 O ATOM 821 CB LEU A 52 -2.140 -21.103 -7.973 1.00 0.18 C ATOM 822 CG LEU A 52 -0.753 -21.273 -8.669 1.00 0.18 C ATOM 823 CD1 LEU A 52 0.221 -21.995 -7.729 1.00 0.22 C ATOM 824 CD2 LEU A 52 -0.844 -22.119 -9.948 1.00 0.20 C ATOM 0 H LEU A 52 -2.830 -18.976 -9.381 1.00 0.17 H new ATOM 0 HA LEU A 52 -3.264 -21.950 -9.590 1.00 0.19 H new ATOM 0 HB2 LEU A 52 -2.136 -20.200 -7.363 1.00 0.18 H new ATOM 0 HB3 LEU A 52 -2.318 -21.942 -7.300 1.00 0.18 H new ATOM 0 HG LEU A 52 -0.409 -20.269 -8.918 1.00 0.18 H new ATOM 0 HD11 LEU A 52 1.186 -22.109 -8.223 1.00 0.22 H new ATOM 0 HD12 LEU A 52 0.347 -21.411 -6.817 1.00 0.22 H new ATOM 0 HD13 LEU A 52 -0.177 -22.978 -7.478 1.00 0.22 H new ATOM 0 HD21 LEU A 52 0.146 -22.209 -10.396 1.00 0.20 H new ATOM 0 HD22 LEU A 52 -1.222 -23.111 -9.702 1.00 0.20 H new ATOM 0 HD23 LEU A 52 -1.520 -21.638 -10.655 1.00 0.20 H new ATOM 836 N TRP A 53 -4.780 -20.982 -7.067 1.00 0.26 N ATOM 837 CA TRP A 53 -6.149 -20.816 -6.468 1.00 0.25 C ATOM 838 C TRP A 53 -6.167 -20.170 -5.093 1.00 0.16 C ATOM 839 O TRP A 53 -5.260 -20.348 -4.312 1.00 0.12 O ATOM 840 CB TRP A 53 -6.751 -22.201 -6.277 1.00 0.36 C ATOM 841 CG TRP A 53 -7.324 -22.669 -7.607 1.00 0.49 C ATOM 842 CD1 TRP A 53 -6.762 -23.609 -8.347 1.00 0.61 C ATOM 843 CD2 TRP A 53 -8.416 -22.197 -8.209 1.00 0.64 C ATOM 844 NE1 TRP A 53 -7.552 -23.697 -9.416 1.00 0.85 N ATOM 845 CE2 TRP A 53 -8.610 -22.851 -9.413 1.00 0.88 C ATOM 846 CE3 TRP A 53 -9.299 -21.211 -7.821 1.00 0.64 C ATOM 847 CZ2 TRP A 53 -9.681 -22.517 -10.215 1.00 1.14 C ATOM 848 CZ3 TRP A 53 -10.360 -20.885 -8.639 1.00 0.88 C ATOM 849 CH2 TRP A 53 -10.549 -21.548 -9.823 1.00 1.15 C ATOM 0 H TRP A 53 -4.022 -21.180 -6.413 1.00 0.26 H new ATOM 0 HA TRP A 53 -6.696 -20.170 -7.155 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -5.991 -22.899 -5.926 1.00 0.36 H new ATOM 0 HB3 TRP A 53 -7.532 -22.172 -5.518 1.00 0.36 H new ATOM 0 HD1 TRP A 53 -5.868 -24.176 -8.134 1.00 0.61 H new ATOM 0 HE1 TRP A 53 -7.374 -24.351 -10.178 1.00 0.85 H new ATOM 0 HE3 TRP A 53 -9.160 -20.697 -6.881 1.00 0.64 H new ATOM 0 HZ2 TRP A 53 -9.830 -23.026 -11.156 1.00 1.14 H new ATOM 0 HZ3 TRP A 53 -11.045 -20.104 -8.345 1.00 0.88 H new ATOM 0 HH2 TRP A 53 -11.393 -21.299 -10.449 1.00 1.15 H new ATOM 860 N PHE A 54 -7.190 -19.386 -4.838 1.00 0.18 N ATOM 861 CA PHE A 54 -7.288 -18.728 -3.508 1.00 0.11 C ATOM 862 C PHE A 54 -8.782 -18.572 -3.112 1.00 0.13 C ATOM 863 O PHE A 54 -9.569 -18.069 -3.885 1.00 0.12 O ATOM 864 CB PHE A 54 -6.647 -17.318 -3.481 1.00 0.09 C ATOM 865 CG PHE A 54 -6.007 -16.946 -4.796 1.00 0.18 C ATOM 866 CD1 PHE A 54 -4.913 -17.631 -5.257 1.00 0.23 C ATOM 867 CD2 PHE A 54 -6.536 -15.926 -5.551 1.00 0.24 C ATOM 868 CE1 PHE A 54 -4.366 -17.322 -6.466 1.00 0.31 C ATOM 869 CE2 PHE A 54 -5.997 -15.612 -6.748 1.00 0.33 C ATOM 870 CZ PHE A 54 -4.903 -16.312 -7.219 1.00 0.35 C ATOM 0 H PHE A 54 -7.948 -19.179 -5.488 1.00 0.18 H new ATOM 0 HA PHE A 54 -6.747 -19.366 -2.809 1.00 0.11 H new ATOM 0 HB2 PHE A 54 -7.410 -16.581 -3.231 1.00 0.09 H new ATOM 0 HB3 PHE A 54 -5.896 -17.279 -2.692 1.00 0.09 H new ATOM 0 HD1 PHE A 54 -4.482 -18.420 -4.659 1.00 0.23 H new ATOM 0 HD2 PHE A 54 -7.388 -15.373 -5.184 1.00 0.24 H new ATOM 0 HE1 PHE A 54 -3.511 -17.872 -6.830 1.00 0.31 H new ATOM 0 HE2 PHE A 54 -6.421 -14.813 -7.338 1.00 0.33 H new ATOM 0 HZ PHE A 54 -4.473 -16.064 -8.178 1.00 0.35 H new ATOM 880 N PRO A 55 -9.145 -18.996 -1.918 1.00 0.17 N ATOM 881 CA PRO A 55 -10.542 -18.902 -1.424 1.00 0.22 C ATOM 882 C PRO A 55 -11.157 -17.515 -1.481 1.00 0.22 C ATOM 883 O PRO A 55 -10.481 -16.512 -1.419 1.00 0.22 O ATOM 884 CB PRO A 55 -10.437 -19.244 0.049 1.00 0.25 C ATOM 885 CG PRO A 55 -9.042 -19.885 0.284 1.00 0.26 C ATOM 886 CD PRO A 55 -8.210 -19.594 -0.948 1.00 0.19 C ATOM 0 HA PRO A 55 -11.166 -19.546 -2.044 1.00 0.22 H new ATOM 0 HB2 PRO A 55 -10.555 -18.349 0.659 1.00 0.25 H new ATOM 0 HB3 PRO A 55 -11.229 -19.934 0.339 1.00 0.25 H new ATOM 0 HG2 PRO A 55 -8.571 -19.469 1.175 1.00 0.26 H new ATOM 0 HG3 PRO A 55 -9.133 -20.959 0.444 1.00 0.26 H new ATOM 0 HD2 PRO A 55 -7.392 -18.911 -0.718 1.00 0.19 H new ATOM 0 HD3 PRO A 55 -7.762 -20.505 -1.344 1.00 0.19 H new ATOM 894 N SER A 56 -12.458 -17.511 -1.587 1.00 0.24 N ATOM 895 CA SER A 56 -13.200 -16.234 -1.640 1.00 0.24 C ATOM 896 C SER A 56 -13.587 -15.983 -0.203 1.00 0.23 C ATOM 897 O SER A 56 -14.317 -15.072 0.132 1.00 0.22 O ATOM 898 CB SER A 56 -14.485 -16.405 -2.460 1.00 0.22 C ATOM 899 OG SER A 56 -15.346 -15.391 -1.963 1.00 2.05 O ATOM 0 H SER A 56 -13.037 -18.349 -1.639 1.00 0.24 H new ATOM 0 HA SER A 56 -12.614 -15.432 -2.089 1.00 0.24 H new ATOM 0 HB2 SER A 56 -14.297 -16.282 -3.527 1.00 0.22 H new ATOM 0 HB3 SER A 56 -14.916 -17.397 -2.324 1.00 0.22 H new ATOM 0 HG SER A 56 -14.839 -14.789 -1.378 1.00 2.05 H new ATOM 905 N ASN A 57 -13.052 -16.856 0.610 1.00 0.26 N ATOM 906 CA ASN A 57 -13.288 -16.812 2.052 1.00 0.29 C ATOM 907 C ASN A 57 -12.036 -16.245 2.671 1.00 0.38 C ATOM 908 O ASN A 57 -12.020 -15.839 3.819 1.00 0.49 O ATOM 909 CB ASN A 57 -13.476 -18.268 2.537 1.00 0.27 C ATOM 910 CG ASN A 57 -14.842 -18.443 3.219 1.00 0.49 C ATOM 911 OD1 ASN A 57 -15.662 -17.546 3.258 1.00 1.49 O ATOM 912 ND2 ASN A 57 -15.128 -19.591 3.772 1.00 0.83 N ATOM 0 H ASN A 57 -12.443 -17.616 0.307 1.00 0.26 H new ATOM 0 HA ASN A 57 -14.161 -16.215 2.315 1.00 0.29 H new ATOM 0 HB2 ASN A 57 -13.396 -18.951 1.691 1.00 0.27 H new ATOM 0 HB3 ASN A 57 -12.680 -18.530 3.234 1.00 0.27 H new ATOM 0 HD21 ASN A 57 -16.030 -19.726 4.229 1.00 0.83 H new ATOM 0 HD22 ASN A 57 -14.450 -20.352 3.747 1.00 0.83 H new ATOM 919 N TYR A 58 -11.004 -16.232 1.862 1.00 0.37 N ATOM 920 CA TYR A 58 -9.709 -15.703 2.335 1.00 0.43 C ATOM 921 C TYR A 58 -9.368 -14.361 1.674 1.00 0.58 C ATOM 922 O TYR A 58 -9.009 -13.410 2.342 1.00 1.43 O ATOM 923 CB TYR A 58 -8.588 -16.702 1.990 1.00 0.38 C ATOM 924 CG TYR A 58 -8.504 -17.813 3.056 1.00 0.23 C ATOM 925 CD1 TYR A 58 -9.544 -18.736 3.258 1.00 0.20 C ATOM 926 CD2 TYR A 58 -7.381 -17.896 3.857 1.00 0.12 C ATOM 927 CE1 TYR A 58 -9.444 -19.686 4.248 1.00 0.07 C ATOM 928 CE2 TYR A 58 -7.299 -18.854 4.849 1.00 0.09 C ATOM 929 CZ TYR A 58 -8.327 -19.754 5.049 1.00 0.12 C ATOM 930 OH TYR A 58 -8.238 -20.710 6.039 1.00 0.26 O ATOM 0 H TYR A 58 -11.013 -16.566 0.898 1.00 0.37 H new ATOM 0 HA TYR A 58 -9.790 -15.557 3.412 1.00 0.43 H new ATOM 0 HB2 TYR A 58 -8.775 -17.143 1.011 1.00 0.38 H new ATOM 0 HB3 TYR A 58 -7.634 -16.179 1.926 1.00 0.38 H new ATOM 0 HD1 TYR A 58 -10.425 -18.700 2.634 1.00 0.20 H new ATOM 0 HD2 TYR A 58 -6.562 -17.208 3.707 1.00 0.12 H new ATOM 0 HE1 TYR A 58 -10.252 -20.387 4.398 1.00 0.07 H new ATOM 0 HE2 TYR A 58 -6.420 -18.900 5.476 1.00 0.09 H new ATOM 0 HH TYR A 58 -7.383 -20.616 6.508 1.00 0.26 H new ATOM 940 N VAL A 59 -9.491 -14.311 0.371 1.00 0.37 N ATOM 941 CA VAL A 59 -9.179 -13.046 -0.357 1.00 0.26 C ATOM 942 C VAL A 59 -10.429 -12.201 -0.609 1.00 0.40 C ATOM 943 O VAL A 59 -11.538 -12.695 -0.556 1.00 0.87 O ATOM 944 CB VAL A 59 -8.564 -13.429 -1.710 1.00 0.46 C ATOM 945 CG1 VAL A 59 -7.539 -14.534 -1.468 1.00 0.52 C ATOM 946 CG2 VAL A 59 -9.665 -13.917 -2.685 1.00 0.59 C ATOM 0 H VAL A 59 -9.793 -15.088 -0.217 1.00 0.37 H new ATOM 0 HA VAL A 59 -8.497 -12.452 0.252 1.00 0.26 H new ATOM 0 HB VAL A 59 -8.081 -12.562 -2.161 1.00 0.46 H new ATOM 0 HG11 VAL A 59 -7.087 -14.825 -2.416 1.00 0.52 H new ATOM 0 HG12 VAL A 59 -6.765 -14.170 -0.793 1.00 0.52 H new ATOM 0 HG13 VAL A 59 -8.033 -15.397 -1.022 1.00 0.52 H new ATOM 0 HG21 VAL A 59 -9.213 -14.185 -3.640 1.00 0.59 H new ATOM 0 HG22 VAL A 59 -10.164 -14.789 -2.263 1.00 0.59 H new ATOM 0 HG23 VAL A 59 -10.393 -13.121 -2.839 1.00 0.59 H new ATOM 956 N GLU A 60 -10.219 -10.940 -0.886 1.00 0.36 N ATOM 957 CA GLU A 60 -11.372 -10.037 -1.148 1.00 0.53 C ATOM 958 C GLU A 60 -10.899 -8.761 -1.839 1.00 0.58 C ATOM 959 O GLU A 60 -9.931 -8.157 -1.429 1.00 0.79 O ATOM 960 CB GLU A 60 -12.017 -9.667 0.191 1.00 0.91 C ATOM 961 CG GLU A 60 -13.540 -9.621 0.029 1.00 0.85 C ATOM 962 CD GLU A 60 -14.100 -11.043 0.096 1.00 3.02 C ATOM 963 OE1 GLU A 60 -14.164 -11.549 1.205 1.00 2.44 O ATOM 964 OE2 GLU A 60 -14.433 -11.544 -0.966 1.00 5.27 O ATOM 0 H GLU A 60 -9.300 -10.500 -0.941 1.00 0.36 H new ATOM 0 HA GLU A 60 -12.089 -10.545 -1.793 1.00 0.53 H new ATOM 0 HB2 GLU A 60 -11.744 -10.397 0.953 1.00 0.91 H new ATOM 0 HB3 GLU A 60 -11.647 -8.699 0.530 1.00 0.91 H new ATOM 0 HG2 GLU A 60 -13.982 -9.007 0.813 1.00 0.85 H new ATOM 0 HG3 GLU A 60 -13.802 -9.159 -0.923 1.00 0.85 H new ATOM 971 N GLU A 61 -11.594 -8.378 -2.875 1.00 0.50 N ATOM 972 CA GLU A 61 -11.210 -7.147 -3.620 1.00 0.64 C ATOM 973 C GLU A 61 -10.802 -6.023 -2.684 1.00 0.85 C ATOM 974 O GLU A 61 -11.614 -5.216 -2.283 1.00 1.36 O ATOM 975 CB GLU A 61 -12.415 -6.695 -4.446 1.00 0.84 C ATOM 976 CG GLU A 61 -12.798 -7.840 -5.385 1.00 0.73 C ATOM 977 CD GLU A 61 -13.583 -7.310 -6.594 1.00 1.58 C ATOM 978 OE1 GLU A 61 -13.436 -6.132 -6.873 1.00 1.25 O ATOM 979 OE2 GLU A 61 -14.283 -8.121 -7.178 1.00 2.79 O ATOM 0 H GLU A 61 -12.413 -8.866 -3.238 1.00 0.50 H new ATOM 0 HA GLU A 61 -10.354 -7.377 -4.255 1.00 0.64 H new ATOM 0 HB2 GLU A 61 -13.251 -6.441 -3.794 1.00 0.84 H new ATOM 0 HB3 GLU A 61 -12.172 -5.799 -5.017 1.00 0.84 H new ATOM 0 HG2 GLU A 61 -11.899 -8.354 -5.726 1.00 0.73 H new ATOM 0 HG3 GLU A 61 -13.400 -8.573 -4.847 1.00 0.73 H new ATOM 986 N MET A 62 -9.533 -6.011 -2.386 1.00 0.47 N ATOM 987 CA MET A 62 -8.957 -4.976 -1.481 1.00 0.65 C ATOM 988 C MET A 62 -9.991 -4.399 -0.517 1.00 1.10 C ATOM 989 O MET A 62 -10.638 -3.422 -0.821 1.00 1.36 O ATOM 990 CB MET A 62 -8.410 -3.848 -2.360 1.00 0.73 C ATOM 991 CG MET A 62 -7.380 -4.425 -3.332 1.00 1.05 C ATOM 992 SD MET A 62 -5.938 -3.404 -3.721 1.00 0.62 S ATOM 993 CE MET A 62 -5.177 -4.529 -4.915 1.00 2.06 C ATOM 0 H MET A 62 -8.857 -6.689 -2.739 1.00 0.47 H new ATOM 0 HA MET A 62 -8.178 -5.439 -0.875 1.00 0.65 H new ATOM 0 HB2 MET A 62 -9.222 -3.373 -2.911 1.00 0.73 H new ATOM 0 HB3 MET A 62 -7.952 -3.077 -1.740 1.00 0.73 H new ATOM 0 HG2 MET A 62 -7.023 -5.370 -2.922 1.00 1.05 H new ATOM 0 HG3 MET A 62 -7.891 -4.656 -4.267 1.00 1.05 H new ATOM 0 HE1 MET A 62 -4.171 -4.785 -4.583 1.00 2.06 H new ATOM 0 HE2 MET A 62 -5.776 -5.437 -4.993 1.00 2.06 H new ATOM 0 HE3 MET A 62 -5.125 -4.044 -5.890 1.00 2.06 H new ATOM 1003 N VAL A 63 -10.127 -5.041 0.618 1.00 1.35 N ATOM 1004 CA VAL A 63 -11.091 -4.598 1.651 1.00 1.86 C ATOM 1005 C VAL A 63 -12.410 -4.142 1.065 1.00 2.92 C ATOM 1006 O VAL A 63 -12.530 -3.125 0.414 1.00 2.70 O ATOM 1007 CB VAL A 63 -10.472 -3.509 2.541 1.00 1.25 C ATOM 1008 CG1 VAL A 63 -9.397 -2.717 1.787 1.00 3.58 C ATOM 1009 CG2 VAL A 63 -11.548 -2.538 3.045 1.00 2.97 C ATOM 0 H VAL A 63 -9.593 -5.873 0.869 1.00 1.35 H new ATOM 0 HA VAL A 63 -11.314 -5.467 2.269 1.00 1.86 H new ATOM 0 HB VAL A 63 -10.011 -4.013 3.390 1.00 1.25 H new ATOM 0 HG11 VAL A 63 -8.979 -1.955 2.444 1.00 3.58 H new ATOM 0 HG12 VAL A 63 -8.605 -3.393 1.466 1.00 3.58 H new ATOM 0 HG13 VAL A 63 -9.842 -2.239 0.914 1.00 3.58 H new ATOM 0 HG21 VAL A 63 -11.086 -1.776 3.673 1.00 2.97 H new ATOM 0 HG22 VAL A 63 -12.035 -2.061 2.194 1.00 2.97 H new ATOM 0 HG23 VAL A 63 -12.289 -3.086 3.626 1.00 2.97 H new ATOM 1019 N ASN A 64 -13.369 -4.951 1.346 1.00 5.19 N ATOM 1020 CA ASN A 64 -14.758 -4.698 0.869 1.00 7.18 C ATOM 1021 C ASN A 64 -15.711 -4.479 2.067 1.00 8.95 C ATOM 1022 O ASN A 64 -16.247 -5.428 2.605 1.00 11.00 O ATOM 1023 CB ASN A 64 -15.229 -5.948 0.098 1.00 9.33 C ATOM 1024 CG ASN A 64 -15.282 -5.663 -1.410 1.00 9.39 C ATOM 1025 OD1 ASN A 64 -15.435 -4.538 -1.845 1.00 8.51 O ATOM 1026 ND2 ASN A 64 -15.172 -6.661 -2.244 1.00 11.30 N ATOM 0 H ASN A 64 -13.258 -5.801 1.899 1.00 5.19 H new ATOM 0 HA ASN A 64 -14.769 -3.809 0.238 1.00 7.18 H new ATOM 0 HB2 ASN A 64 -14.552 -6.779 0.293 1.00 9.33 H new ATOM 0 HB3 ASN A 64 -16.215 -6.250 0.452 1.00 9.33 H new ATOM 0 HD21 ASN A 64 -15.215 -6.493 -3.249 1.00 11.30 H new ATOM 0 HD22 ASN A 64 -15.043 -7.609 -1.891 1.00 11.30 H new ATOM 1033 N PRO A 65 -15.885 -3.238 2.493 1.00 8.49 N ATOM 1034 CA PRO A 65 -16.776 -2.934 3.630 1.00 10.74 C ATOM 1035 C PRO A 65 -18.251 -3.032 3.217 1.00 12.77 C ATOM 1036 O PRO A 65 -19.046 -2.159 3.507 1.00 13.58 O ATOM 1037 CB PRO A 65 -16.415 -1.481 4.017 1.00 9.92 C ATOM 1038 CG PRO A 65 -15.469 -0.924 2.921 1.00 6.89 C ATOM 1039 CD PRO A 65 -15.181 -2.062 1.936 1.00 6.06 C ATOM 0 HA PRO A 65 -16.646 -3.634 4.455 1.00 10.74 H new ATOM 0 HB2 PRO A 65 -17.315 -0.870 4.093 1.00 9.92 H new ATOM 0 HB3 PRO A 65 -15.929 -1.454 4.992 1.00 9.92 H new ATOM 0 HG2 PRO A 65 -15.932 -0.081 2.408 1.00 6.89 H new ATOM 0 HG3 PRO A 65 -14.543 -0.558 3.364 1.00 6.89 H new ATOM 0 HD2 PRO A 65 -15.545 -1.821 0.937 1.00 6.06 H new ATOM 0 HD3 PRO A 65 -14.110 -2.247 1.849 1.00 6.06 H new ATOM 1047 N GLU A 66 -18.587 -4.111 2.559 1.00 13.95 N ATOM 1048 CA GLU A 66 -19.998 -4.301 2.111 1.00 16.21 C ATOM 1049 C GLU A 66 -20.643 -5.525 2.756 1.00 18.46 C ATOM 1050 O GLU A 66 -20.097 -6.611 2.724 1.00 18.17 O ATOM 1051 CB GLU A 66 -19.984 -4.512 0.592 1.00 15.98 C ATOM 1052 CG GLU A 66 -20.599 -3.293 -0.095 1.00 16.15 C ATOM 1053 CD GLU A 66 -20.515 -3.476 -1.612 1.00 16.36 C ATOM 1054 OE1 GLU A 66 -19.572 -4.130 -2.027 1.00 15.40 O ATOM 1055 OE2 GLU A 66 -21.398 -2.950 -2.270 1.00 17.80 O ATOM 0 H GLU A 66 -17.947 -4.867 2.313 1.00 13.95 H new ATOM 0 HA GLU A 66 -20.574 -3.422 2.401 1.00 16.21 H new ATOM 0 HB2 GLU A 66 -18.962 -4.662 0.244 1.00 15.98 H new ATOM 0 HB3 GLU A 66 -20.544 -5.410 0.333 1.00 15.98 H new ATOM 0 HG2 GLU A 66 -21.638 -3.173 0.212 1.00 16.15 H new ATOM 0 HG3 GLU A 66 -20.072 -2.387 0.204 1.00 16.15 H new ATOM 1062 N GLY A 67 -21.802 -5.318 3.325 1.00 20.69 N ATOM 1063 CA GLY A 67 -22.527 -6.444 3.983 1.00 23.03 C ATOM 1064 C GLY A 67 -23.765 -6.795 3.153 1.00 25.17 C ATOM 1065 O GLY A 67 -23.745 -7.728 2.378 1.00 25.49 O ATOM 0 H GLY A 67 -22.278 -4.417 3.362 1.00 20.69 H new ATOM 0 HA2 GLY A 67 -21.874 -7.312 4.070 1.00 23.03 H new ATOM 0 HA3 GLY A 67 -22.820 -6.163 4.995 1.00 23.03 H new ATOM 1069 N ILE A 68 -24.803 -6.009 3.336 1.00 26.70 N ATOM 1070 CA ILE A 68 -26.088 -6.218 2.597 1.00 28.90 C ATOM 1071 C ILE A 68 -26.240 -7.635 2.036 1.00 30.15 C ATOM 1072 O ILE A 68 -25.959 -7.876 0.879 1.00 29.22 O ATOM 1073 CB ILE A 68 -26.099 -5.244 1.420 1.00 28.96 C ATOM 1074 CG1 ILE A 68 -25.788 -3.831 1.903 1.00 27.64 C ATOM 1075 CG2 ILE A 68 -27.493 -5.246 0.777 1.00 31.32 C ATOM 1076 CD1 ILE A 68 -24.449 -3.391 1.308 1.00 26.47 C ATOM 0 H ILE A 68 -24.811 -5.217 3.979 1.00 26.70 H new ATOM 0 HA ILE A 68 -26.907 -6.057 3.298 1.00 28.90 H new ATOM 0 HB ILE A 68 -25.345 -5.555 0.697 1.00 28.96 H new ATOM 0 HG12 ILE A 68 -26.579 -3.146 1.600 1.00 27.64 H new ATOM 0 HG13 ILE A 68 -25.744 -3.805 2.992 1.00 27.64 H new ATOM 0 HG21 ILE A 68 -27.507 -4.552 -0.064 1.00 31.32 H new ATOM 0 HG22 ILE A 68 -27.729 -6.250 0.423 1.00 31.32 H new ATOM 0 HG23 ILE A 68 -28.234 -4.937 1.514 1.00 31.32 H new ATOM 0 HD11 ILE A 68 -24.215 -2.381 1.646 1.00 26.47 H new ATOM 0 HD12 ILE A 68 -23.664 -4.074 1.634 1.00 26.47 H new ATOM 0 HD13 ILE A 68 -24.513 -3.404 0.220 1.00 26.47 H new ATOM 1088 N HIS A 69 -26.676 -8.542 2.862 1.00 32.28 N ATOM 1089 CA HIS A 69 -26.851 -9.943 2.386 1.00 33.63 C ATOM 1090 C HIS A 69 -27.524 -10.780 3.470 1.00 36.28 C ATOM 1091 O HIS A 69 -26.869 -11.429 4.262 1.00 37.03 O ATOM 1092 CB HIS A 69 -25.472 -10.540 2.047 1.00 33.18 C ATOM 1093 CG HIS A 69 -25.644 -11.622 0.975 1.00 33.17 C ATOM 1094 ND1 HIS A 69 -26.116 -12.783 1.177 1.00 33.21 N ATOM 1095 CD2 HIS A 69 -25.360 -11.586 -0.380 1.00 33.34 C ATOM 1096 CE1 HIS A 69 -26.148 -13.456 0.088 1.00 33.46 C ATOM 1097 NE2 HIS A 69 -25.682 -12.765 -0.940 1.00 33.59 N ATOM 0 H HIS A 69 -26.918 -8.378 3.839 1.00 32.28 H new ATOM 0 HA HIS A 69 -27.480 -9.948 1.496 1.00 33.63 H new ATOM 0 HB2 HIS A 69 -24.802 -9.759 1.689 1.00 33.18 H new ATOM 0 HB3 HIS A 69 -25.016 -10.965 2.941 1.00 33.18 H new ATOM 0 HD2 HIS A 69 -24.943 -10.740 -0.906 1.00 33.34 H new ATOM 0 HE1 HIS A 69 -26.513 -14.470 0.017 1.00 33.46 H new ATOM 0 HE2 HIS A 69 -25.590 -13.055 -1.914 1.00 33.59 H new ATOM 1105 N ARG A 70 -28.831 -10.740 3.487 1.00 37.73 N ATOM 1106 CA ARG A 70 -29.583 -11.520 4.504 1.00 40.36 C ATOM 1107 C ARG A 70 -30.142 -12.809 3.913 1.00 42.34 C ATOM 1108 O ARG A 70 -29.789 -13.196 2.816 1.00 41.89 O ATOM 1109 CB ARG A 70 -30.749 -10.652 4.991 1.00 41.37 C ATOM 1110 CG ARG A 70 -30.226 -9.253 5.331 1.00 41.70 C ATOM 1111 CD ARG A 70 -31.260 -8.525 6.194 1.00 42.15 C ATOM 1112 NE ARG A 70 -31.248 -9.114 7.562 1.00 43.90 N ATOM 1113 CZ ARG A 70 -32.335 -9.657 8.035 1.00 44.95 C ATOM 1114 NH1 ARG A 70 -33.483 -9.088 7.785 1.00 45.78 N ATOM 1115 NH2 ARG A 70 -32.239 -10.747 8.743 1.00 45.20 N ATOM 0 H ARG A 70 -29.406 -10.201 2.840 1.00 37.73 H new ATOM 0 HA ARG A 70 -28.911 -11.785 5.320 1.00 40.36 H new ATOM 0 HB2 ARG A 70 -31.518 -10.589 4.221 1.00 41.37 H new ATOM 0 HB3 ARG A 70 -31.213 -11.103 5.868 1.00 41.37 H new ATOM 0 HG2 ARG A 70 -29.277 -9.326 5.863 1.00 41.70 H new ATOM 0 HG3 ARG A 70 -30.037 -8.690 4.417 1.00 41.70 H new ATOM 0 HD2 ARG A 70 -31.030 -7.461 6.240 1.00 42.15 H new ATOM 0 HD3 ARG A 70 -32.252 -8.618 5.752 1.00 42.15 H new ATOM 0 HE ARG A 70 -30.397 -9.093 8.124 1.00 43.90 H new ATOM 0 HH11 ARG A 70 -33.518 -8.234 7.228 1.00 45.78 H new ATOM 0 HH12 ARG A 70 -34.345 -9.497 8.146 1.00 45.78 H new ATOM 0 HH21 ARG A 70 -31.324 -11.162 8.919 1.00 45.20 H new ATOM 0 HH22 ARG A 70 -33.079 -11.185 9.121 1.00 45.20 H new ATOM 1129 N ASP A 71 -31.000 -13.455 4.658 1.00 44.60 N ATOM 1130 CA ASP A 71 -31.598 -14.722 4.161 1.00 46.68 C ATOM 1131 C ASP A 71 -30.532 -15.600 3.511 1.00 45.97 C ATOM 1132 O ASP A 71 -30.428 -15.516 2.298 1.00 45.61 O ATOM 1133 CB ASP A 71 -32.664 -14.380 3.112 1.00 48.17 C ATOM 1134 CG ASP A 71 -33.098 -15.658 2.391 1.00 49.36 C ATOM 1135 OD1 ASP A 71 -33.799 -16.426 3.027 1.00 50.65 O ATOM 1136 OD2 ASP A 71 -32.707 -15.792 1.243 1.00 49.03 O ATOM 1137 OXT ASP A 71 -29.875 -16.303 4.264 1.00 45.87 O ATOM 0 H ASP A 71 -31.309 -13.160 5.584 1.00 44.60 H new ATOM 0 HA ASP A 71 -32.037 -15.263 4.999 1.00 46.68 H new ATOM 0 HB2 ASP A 71 -33.523 -13.910 3.591 1.00 48.17 H new ATOM 0 HB3 ASP A 71 -32.267 -13.662 2.395 1.00 48.17 H new TER 1142 ASP A 71