USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 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+ -177:sc= -0.182 (180deg=-0.218) USER MOD Single : A 2 SER OG : rot 68:sc= 0.0895 USER MOD Single : A 4 THR OG1 : rot 180:sc=0.000535 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -174:sc= -2.11! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -12:sc= 0.0842 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 60:sc= 0.754 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 33 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.6!) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.259 (180deg=-1.04) USER MOD Single : A 37 GLN : amide:sc= -3! C(o=-3!,f=-4.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.006) USER MOD Single : A 56 SER OG : rot -100:sc= 0.0138 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 176:sc=-0.000558 (180deg=-0.0135) USER MOD Single : A 64 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3.8!) USER MOD Single : A 69 HIS : no HD1:sc= 0.201 K(o=0.2,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.544 1.347 -11.869 1.00 12.58 N ATOM 2 CA GLY A 1 4.302 2.816 -11.819 1.00 12.45 C ATOM 3 C GLY A 1 2.999 3.149 -12.546 1.00 11.47 C ATOM 4 O GLY A 1 2.528 4.268 -12.508 1.00 11.45 O ATOM 0 H1 GLY A 1 5.404 1.118 -11.330 1.00 12.58 H new ATOM 0 H2 GLY A 1 3.732 0.847 -11.454 1.00 12.58 H new ATOM 0 H3 GLY A 1 4.665 1.049 -12.858 1.00 12.58 H new ATOM 0 HA2 GLY A 1 4.247 3.150 -10.783 1.00 12.45 H new ATOM 0 HA3 GLY A 1 5.134 3.347 -12.282 1.00 12.45 H new ATOM 10 N SER A 2 2.444 2.164 -13.193 1.00 10.96 N ATOM 11 CA SER A 2 1.175 2.392 -13.930 1.00 10.22 C ATOM 12 C SER A 2 0.650 1.077 -14.516 1.00 9.41 C ATOM 13 O SER A 2 0.708 0.865 -15.711 1.00 10.05 O ATOM 14 CB SER A 2 1.467 3.354 -15.087 1.00 11.98 C ATOM 15 OG SER A 2 2.706 2.900 -15.612 1.00 13.34 O ATOM 0 H SER A 2 2.814 1.215 -13.243 1.00 10.96 H new ATOM 0 HA SER A 2 0.428 2.800 -13.249 1.00 10.22 H new ATOM 0 HB2 SER A 2 0.680 3.322 -15.840 1.00 11.98 H new ATOM 0 HB3 SER A 2 1.535 4.385 -14.740 1.00 11.98 H new ATOM 0 HG SER A 2 2.582 2.023 -16.032 1.00 13.34 H new ATOM 21 N PRO A 3 0.134 0.220 -13.661 1.00 8.28 N ATOM 22 CA PRO A 3 -0.402 -1.077 -14.104 1.00 7.91 C ATOM 23 C PRO A 3 -1.572 -0.889 -15.065 1.00 7.23 C ATOM 24 O PRO A 3 -2.418 -0.044 -14.857 1.00 6.82 O ATOM 25 CB PRO A 3 -0.888 -1.763 -12.816 1.00 7.55 C ATOM 26 CG PRO A 3 -0.531 -0.837 -11.627 1.00 7.36 C ATOM 27 CD PRO A 3 0.036 0.468 -12.208 1.00 7.71 C ATOM 0 HA PRO A 3 0.349 -1.661 -14.636 1.00 7.91 H new ATOM 0 HB2 PRO A 3 -1.963 -1.936 -12.857 1.00 7.55 H new ATOM 0 HB3 PRO A 3 -0.413 -2.737 -12.699 1.00 7.55 H new ATOM 0 HG2 PRO A 3 -1.414 -0.634 -11.021 1.00 7.36 H new ATOM 0 HG3 PRO A 3 0.200 -1.315 -10.975 1.00 7.36 H new ATOM 0 HD2 PRO A 3 -0.617 1.314 -11.994 1.00 7.71 H new ATOM 0 HD3 PRO A 3 1.011 0.702 -11.780 1.00 7.71 H new ATOM 35 N THR A 4 -1.598 -1.681 -16.101 1.00 7.52 N ATOM 36 CA THR A 4 -2.707 -1.556 -17.080 1.00 7.13 C ATOM 37 C THR A 4 -4.060 -1.781 -16.410 1.00 5.63 C ATOM 38 O THR A 4 -4.170 -1.760 -15.202 1.00 4.73 O ATOM 39 CB THR A 4 -2.511 -2.606 -18.176 1.00 8.23 C ATOM 40 OG1 THR A 4 -2.341 -3.834 -17.493 1.00 8.75 O ATOM 41 CG2 THR A 4 -1.184 -2.385 -18.912 1.00 8.91 C ATOM 0 H THR A 4 -0.906 -2.401 -16.309 1.00 7.52 H new ATOM 0 HA THR A 4 -2.695 -0.550 -17.499 1.00 7.13 H new ATOM 0 HB THR A 4 -3.346 -2.570 -18.876 1.00 8.23 H new ATOM 0 HG1 THR A 4 -2.211 -4.555 -18.144 1.00 8.75 H new ATOM 0 HG21 THR A 4 -1.067 -3.143 -19.686 1.00 8.91 H new ATOM 0 HG22 THR A 4 -1.182 -1.396 -19.370 1.00 8.91 H new ATOM 0 HG23 THR A 4 -0.359 -2.459 -18.204 1.00 8.91 H new ATOM 49 N PHE A 5 -5.065 -1.993 -17.216 1.00 5.64 N ATOM 50 CA PHE A 5 -6.424 -2.222 -16.657 1.00 4.50 C ATOM 51 C PHE A 5 -6.621 -3.686 -16.261 1.00 4.17 C ATOM 52 O PHE A 5 -6.947 -4.511 -17.088 1.00 6.06 O ATOM 53 CB PHE A 5 -7.441 -1.864 -17.747 1.00 5.37 C ATOM 54 CG PHE A 5 -8.825 -1.707 -17.121 1.00 5.07 C ATOM 55 CD1 PHE A 5 -9.628 -2.814 -16.912 1.00 4.80 C ATOM 56 CD2 PHE A 5 -9.291 -0.458 -16.751 1.00 5.46 C ATOM 57 CE1 PHE A 5 -10.876 -2.673 -16.343 1.00 5.34 C ATOM 58 CE2 PHE A 5 -10.541 -0.319 -16.181 1.00 5.73 C ATOM 59 CZ PHE A 5 -11.333 -1.428 -15.978 1.00 5.85 C ATOM 0 H PHE A 5 -5.002 -2.017 -18.234 1.00 5.64 H new ATOM 0 HA PHE A 5 -6.555 -1.609 -15.766 1.00 4.50 H new ATOM 0 HB2 PHE A 5 -7.148 -0.939 -18.243 1.00 5.37 H new ATOM 0 HB3 PHE A 5 -7.461 -2.642 -18.510 1.00 5.37 H new ATOM 0 HD1 PHE A 5 -9.275 -3.794 -17.196 1.00 4.80 H new ATOM 0 HD2 PHE A 5 -8.673 0.414 -16.909 1.00 5.46 H new ATOM 0 HE1 PHE A 5 -11.496 -3.542 -16.183 1.00 5.34 H new ATOM 0 HE2 PHE A 5 -10.898 0.659 -15.894 1.00 5.73 H new ATOM 0 HZ PHE A 5 -12.311 -1.320 -15.533 1.00 5.85 H new ATOM 69 N LYS A 6 -6.423 -3.976 -15.001 1.00 1.90 N ATOM 70 CA LYS A 6 -6.596 -5.380 -14.533 1.00 1.38 C ATOM 71 C LYS A 6 -7.164 -5.406 -13.118 1.00 1.13 C ATOM 72 O LYS A 6 -7.344 -4.373 -12.503 1.00 1.51 O ATOM 73 CB LYS A 6 -5.218 -6.070 -14.501 1.00 1.30 C ATOM 74 CG LYS A 6 -4.781 -6.477 -15.915 1.00 1.26 C ATOM 75 CD LYS A 6 -4.343 -7.942 -15.895 1.00 2.28 C ATOM 76 CE LYS A 6 -3.706 -8.292 -17.240 1.00 2.08 C ATOM 77 NZ LYS A 6 -3.658 -9.770 -17.426 1.00 3.13 N ATOM 0 H LYS A 6 -6.151 -3.306 -14.282 1.00 1.90 H new ATOM 0 HA LYS A 6 -7.278 -5.891 -15.212 1.00 1.38 H new ATOM 0 HB2 LYS A 6 -4.479 -5.397 -14.066 1.00 1.30 H new ATOM 0 HB3 LYS A 6 -5.262 -6.951 -13.861 1.00 1.30 H new ATOM 0 HG2 LYS A 6 -5.602 -6.339 -16.618 1.00 1.26 H new ATOM 0 HG3 LYS A 6 -3.962 -5.843 -16.254 1.00 1.26 H new ATOM 0 HD2 LYS A 6 -3.631 -8.111 -15.087 1.00 2.28 H new ATOM 0 HD3 LYS A 6 -5.200 -8.588 -15.705 1.00 2.28 H new ATOM 0 HE2 LYS A 6 -4.277 -7.836 -18.049 1.00 2.08 H new ATOM 0 HE3 LYS A 6 -2.698 -7.880 -17.290 1.00 2.08 H new ATOM 0 HZ1 LYS A 6 -3.223 -9.990 -18.344 1.00 3.13 H new ATOM 0 HZ2 LYS A 6 -3.094 -10.198 -16.664 1.00 3.13 H new ATOM 0 HZ3 LYS A 6 -4.624 -10.155 -17.400 1.00 3.13 H new ATOM 91 N CYS A 7 -7.429 -6.590 -12.631 1.00 0.52 N ATOM 92 CA CYS A 7 -7.986 -6.718 -11.260 1.00 0.29 C ATOM 93 C CYS A 7 -6.921 -7.210 -10.286 1.00 0.52 C ATOM 94 O CYS A 7 -5.878 -7.685 -10.687 1.00 1.60 O ATOM 95 CB CYS A 7 -9.127 -7.745 -11.296 1.00 0.07 C ATOM 96 SG CYS A 7 -10.518 -7.406 -12.402 1.00 2.18 S ATOM 0 H CYS A 7 -7.283 -7.470 -13.125 1.00 0.52 H new ATOM 0 HA CYS A 7 -8.342 -5.743 -10.928 1.00 0.29 H new ATOM 0 HB2 CYS A 7 -8.703 -8.710 -11.574 1.00 0.07 H new ATOM 0 HB3 CYS A 7 -9.519 -7.849 -10.284 1.00 0.07 H new ATOM 0 HG CYS A 7 -11.388 -8.368 -12.313 1.00 2.18 H new ATOM 102 N ALA A 8 -7.209 -7.083 -9.022 1.00 0.61 N ATOM 103 CA ALA A 8 -6.231 -7.536 -8.001 1.00 0.41 C ATOM 104 C ALA A 8 -6.867 -7.547 -6.616 1.00 0.27 C ATOM 105 O ALA A 8 -7.983 -7.100 -6.440 1.00 0.31 O ATOM 106 CB ALA A 8 -5.049 -6.560 -7.992 1.00 0.55 C ATOM 0 H ALA A 8 -8.074 -6.687 -8.655 1.00 0.61 H new ATOM 0 HA ALA A 8 -5.902 -8.546 -8.246 1.00 0.41 H new ATOM 0 HB1 ALA A 8 -4.320 -6.878 -7.247 1.00 0.55 H new ATOM 0 HB2 ALA A 8 -4.580 -6.547 -8.976 1.00 0.55 H new ATOM 0 HB3 ALA A 8 -5.405 -5.559 -7.747 1.00 0.55 H new ATOM 112 N VAL A 9 -6.146 -8.061 -5.660 1.00 0.16 N ATOM 113 CA VAL A 9 -6.694 -8.112 -4.281 1.00 0.09 C ATOM 114 C VAL A 9 -5.584 -7.905 -3.259 1.00 0.18 C ATOM 115 O VAL A 9 -4.531 -7.380 -3.558 1.00 0.39 O ATOM 116 CB VAL A 9 -7.318 -9.508 -4.041 1.00 0.08 C ATOM 117 CG1 VAL A 9 -8.046 -9.963 -5.304 1.00 0.29 C ATOM 118 CG2 VAL A 9 -6.234 -10.543 -3.697 1.00 0.20 C ATOM 0 H VAL A 9 -5.208 -8.445 -5.774 1.00 0.16 H new ATOM 0 HA VAL A 9 -7.441 -7.326 -4.171 1.00 0.09 H new ATOM 0 HB VAL A 9 -8.014 -9.432 -3.205 1.00 0.08 H new ATOM 0 HG11 VAL A 9 -8.486 -10.946 -5.136 1.00 0.29 H new ATOM 0 HG12 VAL A 9 -8.834 -9.250 -5.547 1.00 0.29 H new ATOM 0 HG13 VAL A 9 -7.339 -10.018 -6.132 1.00 0.29 H new ATOM 0 HG21 VAL A 9 -6.698 -11.515 -3.533 1.00 0.20 H new ATOM 0 HG22 VAL A 9 -5.524 -10.614 -4.521 1.00 0.20 H new ATOM 0 HG23 VAL A 9 -5.710 -10.234 -2.793 1.00 0.20 H new ATOM 128 N LYS A 10 -5.863 -8.332 -2.075 1.00 0.21 N ATOM 129 CA LYS A 10 -4.887 -8.210 -0.971 1.00 0.26 C ATOM 130 C LYS A 10 -5.232 -9.283 0.050 1.00 0.30 C ATOM 131 O LYS A 10 -5.923 -9.015 1.009 1.00 0.34 O ATOM 132 CB LYS A 10 -5.029 -6.828 -0.313 1.00 0.23 C ATOM 133 CG LYS A 10 -4.247 -6.812 1.009 1.00 0.49 C ATOM 134 CD LYS A 10 -3.507 -5.483 1.148 1.00 0.86 C ATOM 135 CE LYS A 10 -2.757 -5.459 2.480 1.00 1.46 C ATOM 136 NZ LYS A 10 -3.107 -4.239 3.260 1.00 1.30 N ATOM 0 H LYS A 10 -6.746 -8.771 -1.816 1.00 0.21 H new ATOM 0 HA LYS A 10 -3.867 -8.326 -1.338 1.00 0.26 H new ATOM 0 HB2 LYS A 10 -4.652 -6.054 -0.981 1.00 0.23 H new ATOM 0 HB3 LYS A 10 -6.080 -6.606 -0.130 1.00 0.23 H new ATOM 0 HG2 LYS A 10 -4.928 -6.950 1.848 1.00 0.49 H new ATOM 0 HG3 LYS A 10 -3.538 -7.639 1.034 1.00 0.49 H new ATOM 0 HD2 LYS A 10 -2.808 -5.355 0.322 1.00 0.86 H new ATOM 0 HD3 LYS A 10 -4.213 -4.654 1.100 1.00 0.86 H new ATOM 0 HE2 LYS A 10 -3.004 -6.349 3.058 1.00 1.46 H new ATOM 0 HE3 LYS A 10 -1.683 -5.485 2.298 1.00 1.46 H new ATOM 0 HZ1 LYS A 10 -2.587 -4.242 4.161 1.00 1.30 H new ATOM 0 HZ2 LYS A 10 -2.849 -3.392 2.714 1.00 1.30 H new ATOM 0 HZ3 LYS A 10 -4.129 -4.230 3.450 1.00 1.30 H new ATOM 150 N ALA A 11 -4.763 -10.482 -0.193 1.00 0.32 N ATOM 151 CA ALA A 11 -5.053 -11.596 0.750 1.00 0.34 C ATOM 152 C ALA A 11 -5.115 -11.122 2.192 1.00 0.40 C ATOM 153 O ALA A 11 -4.131 -10.682 2.749 1.00 0.49 O ATOM 154 CB ALA A 11 -3.943 -12.632 0.623 1.00 0.39 C ATOM 0 H ALA A 11 -4.194 -10.733 -1.002 1.00 0.32 H new ATOM 0 HA ALA A 11 -6.026 -12.016 0.494 1.00 0.34 H new ATOM 0 HB1 ALA A 11 -4.137 -13.458 1.307 1.00 0.39 H new ATOM 0 HB2 ALA A 11 -3.911 -13.007 -0.400 1.00 0.39 H new ATOM 0 HB3 ALA A 11 -2.986 -12.172 0.871 1.00 0.39 H new ATOM 160 N LEU A 12 -6.284 -11.194 2.754 1.00 0.37 N ATOM 161 CA LEU A 12 -6.441 -10.758 4.158 1.00 0.47 C ATOM 162 C LEU A 12 -6.081 -11.913 5.068 1.00 0.43 C ATOM 163 O LEU A 12 -5.615 -11.731 6.173 1.00 0.61 O ATOM 164 CB LEU A 12 -7.917 -10.401 4.425 1.00 0.51 C ATOM 165 CG LEU A 12 -8.489 -9.568 3.269 1.00 0.59 C ATOM 166 CD1 LEU A 12 -9.995 -9.404 3.493 1.00 0.75 C ATOM 167 CD2 LEU A 12 -7.837 -8.185 3.275 1.00 0.77 C ATOM 0 H LEU A 12 -7.133 -11.535 2.302 1.00 0.37 H new ATOM 0 HA LEU A 12 -5.801 -9.895 4.341 1.00 0.47 H new ATOM 0 HB2 LEU A 12 -8.501 -11.313 4.547 1.00 0.51 H new ATOM 0 HB3 LEU A 12 -7.999 -9.843 5.358 1.00 0.51 H new ATOM 0 HG LEU A 12 -8.295 -10.062 2.317 1.00 0.59 H new ATOM 0 HD11 LEU A 12 -10.421 -8.814 2.682 1.00 0.75 H new ATOM 0 HD12 LEU A 12 -10.468 -10.386 3.516 1.00 0.75 H new ATOM 0 HD13 LEU A 12 -10.169 -8.895 4.441 1.00 0.75 H new ATOM 0 HD21 LEU A 12 -8.240 -7.589 2.456 1.00 0.77 H new ATOM 0 HD22 LEU A 12 -8.047 -7.688 4.222 1.00 0.77 H new ATOM 0 HD23 LEU A 12 -6.759 -8.290 3.151 1.00 0.77 H new ATOM 179 N PHE A 13 -6.336 -13.095 4.578 1.00 0.38 N ATOM 180 CA PHE A 13 -6.029 -14.310 5.378 1.00 0.60 C ATOM 181 C PHE A 13 -4.730 -14.952 4.888 1.00 0.52 C ATOM 182 O PHE A 13 -4.364 -14.808 3.738 1.00 0.89 O ATOM 183 CB PHE A 13 -7.168 -15.329 5.167 1.00 0.95 C ATOM 184 CG PHE A 13 -8.479 -14.922 5.885 1.00 0.65 C ATOM 185 CD1 PHE A 13 -8.720 -13.622 6.311 1.00 0.84 C ATOM 186 CD2 PHE A 13 -9.485 -15.863 6.048 1.00 0.82 C ATOM 187 CE1 PHE A 13 -9.922 -13.275 6.870 1.00 0.71 C ATOM 188 CE2 PHE A 13 -10.693 -15.510 6.615 1.00 1.15 C ATOM 189 CZ PHE A 13 -10.911 -14.216 7.025 1.00 0.93 C ATOM 0 H PHE A 13 -6.743 -13.270 3.659 1.00 0.38 H new ATOM 0 HA PHE A 13 -5.928 -14.033 6.427 1.00 0.60 H new ATOM 0 HB2 PHE A 13 -7.362 -15.435 4.100 1.00 0.95 H new ATOM 0 HB3 PHE A 13 -6.848 -16.305 5.531 1.00 0.95 H new ATOM 0 HD1 PHE A 13 -7.949 -12.874 6.200 1.00 0.84 H new ATOM 0 HD2 PHE A 13 -9.322 -16.882 5.728 1.00 0.82 H new ATOM 0 HE1 PHE A 13 -10.093 -12.258 7.190 1.00 0.71 H new ATOM 0 HE2 PHE A 13 -11.468 -16.252 6.737 1.00 1.15 H new ATOM 0 HZ PHE A 13 -11.857 -13.940 7.468 1.00 0.93 H new ATOM 199 N ASP A 14 -4.051 -15.643 5.764 1.00 0.28 N ATOM 200 CA ASP A 14 -2.777 -16.296 5.348 1.00 0.33 C ATOM 201 C ASP A 14 -3.069 -17.711 4.853 1.00 0.31 C ATOM 202 O ASP A 14 -3.987 -18.348 5.327 1.00 0.32 O ATOM 203 CB ASP A 14 -1.845 -16.371 6.562 1.00 0.40 C ATOM 204 CG ASP A 14 -2.645 -16.827 7.781 1.00 0.41 C ATOM 205 OD1 ASP A 14 -3.132 -17.942 7.722 1.00 2.60 O ATOM 206 OD2 ASP A 14 -2.722 -16.032 8.703 1.00 1.62 O ATOM 0 H ASP A 14 -4.319 -15.783 6.738 1.00 0.28 H new ATOM 0 HA ASP A 14 -2.309 -15.721 4.549 1.00 0.33 H new ATOM 0 HB2 ASP A 14 -1.029 -17.066 6.367 1.00 0.40 H new ATOM 0 HB3 ASP A 14 -1.395 -15.396 6.751 1.00 0.40 H new ATOM 211 N TYR A 15 -2.287 -18.172 3.912 1.00 0.28 N ATOM 212 CA TYR A 15 -2.504 -19.547 3.367 1.00 0.26 C ATOM 213 C TYR A 15 -1.242 -20.400 3.508 1.00 0.25 C ATOM 214 O TYR A 15 -0.197 -19.905 3.883 1.00 0.26 O ATOM 215 CB TYR A 15 -2.848 -19.401 1.881 1.00 0.21 C ATOM 216 CG TYR A 15 -3.632 -20.617 1.406 1.00 0.20 C ATOM 217 CD1 TYR A 15 -2.969 -21.764 1.071 1.00 0.20 C ATOM 218 CD2 TYR A 15 -5.006 -20.607 1.385 1.00 0.20 C ATOM 219 CE1 TYR A 15 -3.643 -22.898 0.737 1.00 0.21 C ATOM 220 CE2 TYR A 15 -5.705 -21.749 1.040 1.00 0.21 C ATOM 221 CZ TYR A 15 -5.023 -22.912 0.718 1.00 0.22 C ATOM 222 OH TYR A 15 -5.704 -24.079 0.443 1.00 0.26 O ATOM 0 H TYR A 15 -1.509 -17.658 3.498 1.00 0.28 H new ATOM 0 HA TYR A 15 -3.305 -20.039 3.918 1.00 0.26 H new ATOM 0 HB2 TYR A 15 -3.434 -18.496 1.722 1.00 0.21 H new ATOM 0 HB3 TYR A 15 -1.934 -19.296 1.296 1.00 0.21 H new ATOM 0 HD1 TYR A 15 -1.889 -21.771 1.071 1.00 0.20 H new ATOM 0 HD2 TYR A 15 -5.542 -19.704 1.639 1.00 0.20 H new ATOM 0 HE1 TYR A 15 -3.094 -23.793 0.485 1.00 0.21 H new ATOM 0 HE2 TYR A 15 -6.785 -21.735 1.021 1.00 0.21 H new ATOM 0 HH TYR A 15 -6.663 -23.890 0.377 1.00 0.26 H new ATOM 232 N LYS A 16 -1.362 -21.668 3.209 1.00 0.24 N ATOM 233 CA LYS A 16 -0.170 -22.555 3.324 1.00 0.23 C ATOM 234 C LYS A 16 -0.167 -23.711 2.312 1.00 0.24 C ATOM 235 O LYS A 16 -0.097 -24.866 2.680 1.00 0.27 O ATOM 236 CB LYS A 16 -0.130 -23.126 4.748 1.00 0.26 C ATOM 237 CG LYS A 16 -1.556 -23.469 5.182 1.00 2.74 C ATOM 238 CD LYS A 16 -1.516 -24.231 6.513 1.00 2.75 C ATOM 239 CE LYS A 16 -0.899 -25.621 6.308 1.00 3.77 C ATOM 240 NZ LYS A 16 -1.499 -26.600 7.259 1.00 4.52 N ATOM 0 H LYS A 16 -2.220 -22.121 2.895 1.00 0.24 H new ATOM 0 HA LYS A 16 0.711 -21.951 3.105 1.00 0.23 H new ATOM 0 HB2 LYS A 16 0.499 -24.016 4.780 1.00 0.26 H new ATOM 0 HB3 LYS A 16 0.309 -22.401 5.433 1.00 0.26 H new ATOM 0 HG2 LYS A 16 -2.144 -22.557 5.290 1.00 2.74 H new ATOM 0 HG3 LYS A 16 -2.044 -24.075 4.418 1.00 2.74 H new ATOM 0 HD2 LYS A 16 -0.933 -23.671 7.244 1.00 2.75 H new ATOM 0 HD3 LYS A 16 -2.524 -24.328 6.916 1.00 2.75 H new ATOM 0 HE2 LYS A 16 -1.064 -25.952 5.283 1.00 3.77 H new ATOM 0 HE3 LYS A 16 0.180 -25.573 6.457 1.00 3.77 H new ATOM 0 HZ1 LYS A 16 -1.072 -27.536 7.109 1.00 4.52 H new ATOM 0 HZ2 LYS A 16 -1.320 -26.290 8.235 1.00 4.52 H new ATOM 0 HZ3 LYS A 16 -2.525 -26.657 7.097 1.00 4.52 H new ATOM 254 N ALA A 17 -0.236 -23.369 1.056 1.00 0.24 N ATOM 255 CA ALA A 17 -0.229 -24.413 0.001 1.00 0.27 C ATOM 256 C ALA A 17 1.162 -24.459 -0.539 1.00 0.41 C ATOM 257 O ALA A 17 1.705 -25.499 -0.855 1.00 0.43 O ATOM 258 CB ALA A 17 -1.128 -23.997 -1.163 1.00 0.22 C ATOM 0 H ALA A 17 -0.297 -22.409 0.717 1.00 0.24 H new ATOM 0 HA ALA A 17 -0.569 -25.362 0.415 1.00 0.27 H new ATOM 0 HB1 ALA A 17 -1.113 -24.772 -1.929 1.00 0.22 H new ATOM 0 HB2 ALA A 17 -2.148 -23.861 -0.804 1.00 0.22 H new ATOM 0 HB3 ALA A 17 -0.765 -23.061 -1.587 1.00 0.22 H new ATOM 264 N GLN A 18 1.688 -23.278 -0.630 1.00 0.57 N ATOM 265 CA GLN A 18 3.071 -23.097 -1.145 1.00 0.76 C ATOM 266 C GLN A 18 3.059 -23.204 -2.648 1.00 0.57 C ATOM 267 O GLN A 18 3.704 -22.445 -3.338 1.00 0.67 O ATOM 268 CB GLN A 18 3.957 -24.219 -0.575 1.00 0.94 C ATOM 269 CG GLN A 18 5.415 -23.758 -0.419 1.00 1.36 C ATOM 270 CD GLN A 18 6.028 -24.478 0.784 1.00 1.74 C ATOM 271 OE1 GLN A 18 6.779 -25.422 0.642 1.00 3.10 O ATOM 272 NE2 GLN A 18 5.726 -24.067 1.985 1.00 2.30 N ATOM 0 H GLN A 18 1.213 -22.415 -0.366 1.00 0.57 H new ATOM 0 HA GLN A 18 3.455 -22.121 -0.848 1.00 0.76 H new ATOM 0 HB2 GLN A 18 3.568 -24.535 0.393 1.00 0.94 H new ATOM 0 HB3 GLN A 18 3.917 -25.087 -1.234 1.00 0.94 H new ATOM 0 HG2 GLN A 18 5.981 -23.982 -1.323 1.00 1.36 H new ATOM 0 HG3 GLN A 18 5.457 -22.678 -0.276 1.00 1.36 H new ATOM 0 HE21 GLN A 18 5.096 -23.275 2.109 1.00 2.30 H new ATOM 0 HE22 GLN A 18 6.120 -24.538 2.799 1.00 2.30 H new ATOM 281 N ARG A 19 2.315 -24.156 -3.119 1.00 0.39 N ATOM 282 CA ARG A 19 2.214 -24.370 -4.581 1.00 0.38 C ATOM 283 C ARG A 19 1.433 -25.655 -4.838 1.00 0.33 C ATOM 284 O ARG A 19 1.925 -26.610 -5.407 1.00 0.21 O ATOM 285 CB ARG A 19 3.639 -24.453 -5.190 1.00 0.43 C ATOM 286 CG ARG A 19 3.876 -23.226 -6.093 1.00 2.07 C ATOM 287 CD ARG A 19 5.381 -23.013 -6.314 1.00 2.21 C ATOM 288 NE ARG A 19 5.822 -21.811 -5.545 1.00 4.02 N ATOM 289 CZ ARG A 19 5.372 -20.630 -5.883 1.00 6.47 C ATOM 290 NH1 ARG A 19 5.748 -20.107 -7.018 1.00 7.56 N ATOM 291 NH2 ARG A 19 4.555 -20.012 -5.072 1.00 8.13 N ATOM 0 H ARG A 19 1.768 -24.801 -2.549 1.00 0.39 H new ATOM 0 HA ARG A 19 1.689 -23.539 -5.052 1.00 0.38 H new ATOM 0 HB2 ARG A 19 4.385 -24.485 -4.396 1.00 0.43 H new ATOM 0 HB3 ARG A 19 3.748 -25.371 -5.767 1.00 0.43 H new ATOM 0 HG2 ARG A 19 3.377 -23.369 -7.051 1.00 2.07 H new ATOM 0 HG3 ARG A 19 3.439 -22.339 -5.635 1.00 2.07 H new ATOM 0 HD2 ARG A 19 5.937 -23.892 -5.989 1.00 2.21 H new ATOM 0 HD3 ARG A 19 5.590 -22.878 -7.375 1.00 2.21 H new ATOM 0 HE ARG A 19 6.469 -21.910 -4.763 1.00 4.02 H new ATOM 0 HH11 ARG A 19 6.385 -20.618 -7.629 1.00 7.56 H new ATOM 0 HH12 ARG A 19 5.405 -19.187 -7.294 1.00 7.56 H new ATOM 0 HH21 ARG A 19 4.279 -20.451 -4.194 1.00 8.13 H new ATOM 0 HH22 ARG A 19 4.193 -19.090 -5.317 1.00 8.13 H new ATOM 305 N GLU A 20 0.205 -25.633 -4.397 1.00 0.83 N ATOM 306 CA GLU A 20 -0.672 -26.825 -4.583 1.00 0.89 C ATOM 307 C GLU A 20 -1.728 -26.431 -5.564 1.00 0.65 C ATOM 308 O GLU A 20 -2.647 -27.168 -5.850 1.00 0.67 O ATOM 309 CB GLU A 20 -1.336 -27.192 -3.232 1.00 0.93 C ATOM 310 CG GLU A 20 -2.746 -26.564 -3.118 1.00 0.65 C ATOM 311 CD GLU A 20 -3.272 -26.756 -1.691 1.00 1.73 C ATOM 312 OE1 GLU A 20 -2.443 -27.009 -0.834 1.00 2.52 O ATOM 313 OE2 GLU A 20 -4.476 -26.629 -1.540 1.00 2.31 O ATOM 0 H GLU A 20 -0.228 -24.844 -3.917 1.00 0.83 H new ATOM 0 HA GLU A 20 -0.103 -27.684 -4.937 1.00 0.89 H new ATOM 0 HB2 GLU A 20 -1.408 -28.276 -3.141 1.00 0.93 H new ATOM 0 HB3 GLU A 20 -0.711 -26.844 -2.409 1.00 0.93 H new ATOM 0 HG2 GLU A 20 -2.705 -25.503 -3.363 1.00 0.65 H new ATOM 0 HG3 GLU A 20 -3.423 -27.030 -3.833 1.00 0.65 H new ATOM 320 N ASP A 21 -1.483 -25.272 -6.089 1.00 1.10 N ATOM 321 CA ASP A 21 -2.361 -24.634 -7.073 1.00 1.08 C ATOM 322 C ASP A 21 -3.175 -23.692 -6.227 1.00 0.93 C ATOM 323 O ASP A 21 -4.110 -23.080 -6.682 1.00 1.61 O ATOM 324 CB ASP A 21 -3.284 -25.627 -7.807 1.00 0.99 C ATOM 325 CG ASP A 21 -2.456 -26.784 -8.373 1.00 0.90 C ATOM 326 OD1 ASP A 21 -1.258 -26.752 -8.148 1.00 1.58 O ATOM 327 OD2 ASP A 21 -3.070 -27.634 -8.998 1.00 1.48 O ATOM 0 H ASP A 21 -0.659 -24.717 -5.856 1.00 1.10 H new ATOM 0 HA ASP A 21 -1.792 -24.156 -7.871 1.00 1.08 H new ATOM 0 HB2 ASP A 21 -4.040 -26.010 -7.121 1.00 0.99 H new ATOM 0 HB3 ASP A 21 -3.813 -25.118 -8.613 1.00 0.99 H new ATOM 332 N GLU A 22 -2.750 -23.596 -4.976 1.00 0.90 N ATOM 333 CA GLU A 22 -3.454 -22.700 -4.024 1.00 0.69 C ATOM 334 C GLU A 22 -2.482 -21.904 -3.118 1.00 1.22 C ATOM 335 O GLU A 22 -2.869 -21.408 -2.086 1.00 3.38 O ATOM 336 CB GLU A 22 -4.379 -23.537 -3.146 1.00 0.60 C ATOM 337 CG GLU A 22 -5.553 -22.668 -2.752 1.00 0.52 C ATOM 338 CD GLU A 22 -6.515 -23.475 -1.885 1.00 0.62 C ATOM 339 OE1 GLU A 22 -6.578 -24.671 -2.119 1.00 0.89 O ATOM 340 OE2 GLU A 22 -7.128 -22.855 -1.036 1.00 1.04 O ATOM 0 H GLU A 22 -1.952 -24.101 -4.590 1.00 0.90 H new ATOM 0 HA GLU A 22 -4.016 -21.976 -4.613 1.00 0.69 H new ATOM 0 HB2 GLU A 22 -4.721 -24.420 -3.685 1.00 0.60 H new ATOM 0 HB3 GLU A 22 -3.850 -23.889 -2.260 1.00 0.60 H new ATOM 0 HG2 GLU A 22 -5.203 -21.791 -2.207 1.00 0.52 H new ATOM 0 HG3 GLU A 22 -6.066 -22.306 -3.643 1.00 0.52 H new ATOM 347 N LEU A 23 -1.264 -21.813 -3.583 1.00 0.82 N ATOM 348 CA LEU A 23 -0.095 -21.087 -2.899 1.00 0.46 C ATOM 349 C LEU A 23 -0.219 -20.791 -1.384 1.00 0.39 C ATOM 350 O LEU A 23 -1.287 -20.633 -0.847 1.00 0.42 O ATOM 351 CB LEU A 23 0.208 -19.706 -3.526 1.00 0.26 C ATOM 352 CG LEU A 23 -0.461 -19.512 -4.886 1.00 0.28 C ATOM 353 CD1 LEU A 23 -1.245 -18.188 -4.979 1.00 0.31 C ATOM 354 CD2 LEU A 23 0.655 -19.494 -5.927 1.00 0.19 C ATOM 0 H LEU A 23 -0.994 -22.236 -4.471 1.00 0.82 H new ATOM 0 HA LEU A 23 0.688 -21.829 -3.054 1.00 0.46 H new ATOM 0 HB2 LEU A 23 -0.127 -18.922 -2.847 1.00 0.26 H new ATOM 0 HB3 LEU A 23 1.286 -19.592 -3.637 1.00 0.26 H new ATOM 0 HG LEU A 23 -1.177 -20.318 -5.046 1.00 0.28 H new ATOM 0 HD11 LEU A 23 -1.699 -18.103 -5.966 1.00 0.31 H new ATOM 0 HD12 LEU A 23 -2.025 -18.173 -4.218 1.00 0.31 H new ATOM 0 HD13 LEU A 23 -0.566 -17.351 -4.819 1.00 0.31 H new ATOM 0 HD21 LEU A 23 0.225 -19.357 -6.919 1.00 0.19 H new ATOM 0 HD22 LEU A 23 1.340 -18.674 -5.712 1.00 0.19 H new ATOM 0 HD23 LEU A 23 1.198 -20.438 -5.894 1.00 0.19 H new ATOM 366 N THR A 24 0.933 -20.642 -0.749 1.00 0.32 N ATOM 367 CA THR A 24 0.979 -20.345 0.710 1.00 0.26 C ATOM 368 C THR A 24 1.005 -18.856 0.878 1.00 0.24 C ATOM 369 O THR A 24 1.476 -18.343 1.874 1.00 0.17 O ATOM 370 CB THR A 24 2.291 -20.864 1.306 1.00 0.24 C ATOM 371 OG1 THR A 24 2.284 -20.434 2.657 1.00 0.16 O ATOM 372 CG2 THR A 24 3.483 -20.110 0.703 1.00 0.22 C ATOM 0 H THR A 24 1.847 -20.717 -1.196 1.00 0.32 H new ATOM 0 HA THR A 24 0.121 -20.808 1.197 1.00 0.26 H new ATOM 0 HB THR A 24 2.371 -21.939 1.144 1.00 0.24 H new ATOM 0 HG1 THR A 24 1.566 -19.780 2.789 1.00 0.16 H new ATOM 0 HG21 THR A 24 4.409 -20.489 1.135 1.00 0.22 H new ATOM 0 HG22 THR A 24 3.499 -20.259 -0.377 1.00 0.22 H new ATOM 0 HG23 THR A 24 3.389 -19.046 0.921 1.00 0.22 H new ATOM 380 N PHE A 25 0.511 -18.195 -0.116 1.00 0.31 N ATOM 381 CA PHE A 25 0.493 -16.726 -0.060 1.00 0.33 C ATOM 382 C PHE A 25 0.092 -16.251 1.336 1.00 0.32 C ATOM 383 O PHE A 25 -0.791 -16.809 1.958 1.00 0.28 O ATOM 384 CB PHE A 25 -0.458 -16.214 -1.130 1.00 0.36 C ATOM 385 CG PHE A 25 -1.872 -16.709 -0.886 1.00 0.30 C ATOM 386 CD1 PHE A 25 -2.667 -16.139 0.083 1.00 0.29 C ATOM 387 CD2 PHE A 25 -2.388 -17.693 -1.689 1.00 0.29 C ATOM 388 CE1 PHE A 25 -3.976 -16.557 0.232 1.00 0.25 C ATOM 389 CE2 PHE A 25 -3.662 -18.112 -1.559 1.00 0.25 C ATOM 390 CZ PHE A 25 -4.472 -17.547 -0.591 1.00 0.22 C ATOM 0 H PHE A 25 0.120 -18.609 -0.962 1.00 0.31 H new ATOM 0 HA PHE A 25 1.488 -16.326 -0.255 1.00 0.33 H new ATOM 0 HB2 PHE A 25 -0.447 -15.124 -1.139 1.00 0.36 H new ATOM 0 HB3 PHE A 25 -0.118 -16.544 -2.112 1.00 0.36 H new ATOM 0 HD1 PHE A 25 -2.269 -15.367 0.725 1.00 0.29 H new ATOM 0 HD2 PHE A 25 -1.759 -18.143 -2.443 1.00 0.29 H new ATOM 0 HE1 PHE A 25 -4.606 -16.112 0.988 1.00 0.25 H new ATOM 0 HE2 PHE A 25 -4.048 -18.885 -2.207 1.00 0.25 H new ATOM 0 HZ PHE A 25 -5.493 -17.881 -0.479 1.00 0.22 H new ATOM 400 N ILE A 26 0.755 -15.228 1.796 1.00 0.39 N ATOM 401 CA ILE A 26 0.452 -14.688 3.153 1.00 0.43 C ATOM 402 C ILE A 26 -0.490 -13.494 3.115 1.00 0.37 C ATOM 403 O ILE A 26 -0.959 -13.092 2.069 1.00 0.39 O ATOM 404 CB ILE A 26 1.775 -14.233 3.786 1.00 0.54 C ATOM 405 CG1 ILE A 26 2.775 -13.853 2.690 1.00 0.86 C ATOM 406 CG2 ILE A 26 2.349 -15.400 4.601 1.00 0.38 C ATOM 407 CD1 ILE A 26 4.023 -13.208 3.311 1.00 0.91 C ATOM 0 H ILE A 26 1.495 -14.741 1.291 1.00 0.39 H new ATOM 0 HA ILE A 26 -0.036 -15.476 3.726 1.00 0.43 H new ATOM 0 HB ILE A 26 1.598 -13.368 4.425 1.00 0.54 H new ATOM 0 HG12 ILE A 26 3.059 -14.740 2.123 1.00 0.86 H new ATOM 0 HG13 ILE A 26 2.310 -13.161 1.988 1.00 0.86 H new ATOM 0 HG21 ILE A 26 3.290 -15.096 5.059 1.00 0.38 H new ATOM 0 HG22 ILE A 26 1.641 -15.683 5.380 1.00 0.38 H new ATOM 0 HG23 ILE A 26 2.524 -16.252 3.944 1.00 0.38 H new ATOM 0 HD11 ILE A 26 4.726 -12.942 2.522 1.00 0.91 H new ATOM 0 HD12 ILE A 26 3.735 -12.310 3.858 1.00 0.91 H new ATOM 0 HD13 ILE A 26 4.495 -13.913 3.995 1.00 0.91 H new ATOM 419 N LYS A 27 -0.742 -12.952 4.278 1.00 0.50 N ATOM 420 CA LYS A 27 -1.644 -11.786 4.363 1.00 0.42 C ATOM 421 C LYS A 27 -0.950 -10.538 3.856 1.00 0.36 C ATOM 422 O LYS A 27 -0.246 -9.882 4.594 1.00 0.59 O ATOM 423 CB LYS A 27 -2.034 -11.568 5.834 1.00 0.43 C ATOM 424 CG LYS A 27 -2.756 -10.214 6.011 1.00 0.36 C ATOM 425 CD LYS A 27 -1.993 -9.383 7.046 1.00 0.40 C ATOM 426 CE LYS A 27 -2.702 -8.042 7.248 1.00 1.68 C ATOM 427 NZ LYS A 27 -3.681 -8.132 8.370 1.00 0.95 N ATOM 0 H LYS A 27 -0.358 -13.272 5.167 1.00 0.50 H new ATOM 0 HA LYS A 27 -2.526 -11.976 3.752 1.00 0.42 H new ATOM 0 HB2 LYS A 27 -2.682 -12.378 6.168 1.00 0.43 H new ATOM 0 HB3 LYS A 27 -1.142 -11.595 6.460 1.00 0.43 H new ATOM 0 HG2 LYS A 27 -2.802 -9.683 5.060 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -3.784 -10.373 6.338 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -1.937 -9.923 7.991 1.00 0.40 H new ATOM 0 HD3 LYS A 27 -0.969 -9.218 6.712 1.00 0.40 H new ATOM 0 HE2 LYS A 27 -1.968 -7.264 7.459 1.00 1.68 H new ATOM 0 HE3 LYS A 27 -3.216 -7.754 6.331 1.00 1.68 H new ATOM 0 HZ1 LYS A 27 -4.153 -7.214 8.493 1.00 0.95 H new ATOM 0 HZ2 LYS A 27 -4.391 -8.860 8.153 1.00 0.95 H new ATOM 0 HZ3 LYS A 27 -3.182 -8.385 9.247 1.00 0.95 H new ATOM 441 N SER A 28 -1.199 -10.241 2.616 1.00 0.89 N ATOM 442 CA SER A 28 -0.601 -9.048 1.974 1.00 0.89 C ATOM 443 C SER A 28 -0.412 -9.302 0.488 1.00 0.79 C ATOM 444 O SER A 28 -0.296 -8.384 -0.297 1.00 0.73 O ATOM 445 CB SER A 28 0.786 -8.735 2.566 1.00 1.22 C ATOM 446 OG SER A 28 0.519 -7.890 3.674 1.00 1.29 O ATOM 0 H SER A 28 -1.807 -10.790 2.008 1.00 0.89 H new ATOM 0 HA SER A 28 -1.277 -8.211 2.148 1.00 0.89 H new ATOM 0 HB2 SER A 28 1.299 -9.645 2.876 1.00 1.22 H new ATOM 0 HB3 SER A 28 1.427 -8.241 1.836 1.00 1.22 H new ATOM 0 HG SER A 28 -0.057 -8.360 4.313 1.00 1.29 H new ATOM 452 N ALA A 29 -0.395 -10.555 0.138 1.00 0.83 N ATOM 453 CA ALA A 29 -0.216 -10.921 -1.283 1.00 0.82 C ATOM 454 C ALA A 29 -1.155 -10.117 -2.163 1.00 0.65 C ATOM 455 O ALA A 29 -2.341 -10.057 -1.903 1.00 0.61 O ATOM 456 CB ALA A 29 -0.537 -12.407 -1.421 1.00 0.83 C ATOM 0 H ALA A 29 -0.498 -11.341 0.780 1.00 0.83 H new ATOM 0 HA ALA A 29 0.807 -10.710 -1.596 1.00 0.82 H new ATOM 0 HB1 ALA A 29 -0.414 -12.711 -2.461 1.00 0.83 H new ATOM 0 HB2 ALA A 29 0.140 -12.985 -0.792 1.00 0.83 H new ATOM 0 HB3 ALA A 29 -1.566 -12.588 -1.109 1.00 0.83 H new ATOM 462 N ILE A 30 -0.613 -9.523 -3.195 1.00 0.61 N ATOM 463 CA ILE A 30 -1.460 -8.719 -4.098 1.00 0.52 C ATOM 464 C ILE A 30 -1.622 -9.438 -5.434 1.00 0.67 C ATOM 465 O ILE A 30 -1.315 -8.914 -6.487 1.00 1.53 O ATOM 466 CB ILE A 30 -0.795 -7.360 -4.316 1.00 0.50 C ATOM 467 CG1 ILE A 30 0.059 -6.983 -3.103 1.00 0.57 C ATOM 468 CG2 ILE A 30 -1.917 -6.324 -4.474 1.00 0.37 C ATOM 469 CD1 ILE A 30 0.600 -5.559 -3.284 1.00 0.68 C ATOM 0 H ILE A 30 0.376 -9.565 -3.443 1.00 0.61 H new ATOM 0 HA ILE A 30 -2.446 -8.581 -3.654 1.00 0.52 H new ATOM 0 HB ILE A 30 -0.152 -7.394 -5.196 1.00 0.50 H new ATOM 0 HG12 ILE A 30 -0.536 -7.045 -2.192 1.00 0.57 H new ATOM 0 HG13 ILE A 30 0.884 -7.686 -2.993 1.00 0.57 H new ATOM 0 HG21 ILE A 30 -1.482 -5.337 -4.632 1.00 0.37 H new ATOM 0 HG22 ILE A 30 -2.538 -6.588 -5.330 1.00 0.37 H new ATOM 0 HG23 ILE A 30 -2.529 -6.310 -3.572 1.00 0.37 H new ATOM 0 HD11 ILE A 30 1.209 -5.289 -2.421 1.00 0.68 H new ATOM 0 HD12 ILE A 30 1.210 -5.513 -4.186 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -0.233 -4.862 -3.373 1.00 0.68 H new ATOM 481 N ILE A 31 -2.102 -10.643 -5.346 1.00 0.34 N ATOM 482 CA ILE A 31 -2.311 -11.455 -6.569 1.00 0.24 C ATOM 483 C ILE A 31 -2.922 -10.584 -7.681 1.00 0.15 C ATOM 484 O ILE A 31 -3.679 -9.680 -7.390 1.00 0.15 O ATOM 485 CB ILE A 31 -3.253 -12.590 -6.179 1.00 0.20 C ATOM 486 CG1 ILE A 31 -2.652 -13.335 -4.969 1.00 0.23 C ATOM 487 CG2 ILE A 31 -3.376 -13.543 -7.375 1.00 0.16 C ATOM 488 CD1 ILE A 31 -3.531 -14.517 -4.563 1.00 0.32 C ATOM 0 H ILE A 31 -2.360 -11.102 -4.473 1.00 0.34 H new ATOM 0 HA ILE A 31 -1.372 -11.852 -6.954 1.00 0.24 H new ATOM 0 HB ILE A 31 -4.238 -12.207 -5.912 1.00 0.20 H new ATOM 0 HG12 ILE A 31 -1.651 -13.689 -5.216 1.00 0.23 H new ATOM 0 HG13 ILE A 31 -2.549 -12.648 -4.129 1.00 0.23 H new ATOM 0 HG21 ILE A 31 -4.046 -14.364 -7.119 1.00 0.16 H new ATOM 0 HG22 ILE A 31 -3.777 -13.002 -8.232 1.00 0.16 H new ATOM 0 HG23 ILE A 31 -2.393 -13.942 -7.625 1.00 0.16 H new ATOM 0 HD11 ILE A 31 -3.085 -15.025 -3.708 1.00 0.32 H new ATOM 0 HD12 ILE A 31 -4.524 -14.157 -4.294 1.00 0.32 H new ATOM 0 HD13 ILE A 31 -3.612 -15.214 -5.397 1.00 0.32 H new ATOM 500 N GLN A 32 -2.591 -10.870 -8.930 1.00 0.12 N ATOM 501 CA GLN A 32 -3.158 -10.043 -10.052 1.00 0.09 C ATOM 502 C GLN A 32 -4.016 -10.870 -11.011 1.00 0.14 C ATOM 503 O GLN A 32 -4.019 -12.083 -10.950 1.00 0.19 O ATOM 504 CB GLN A 32 -1.984 -9.440 -10.834 1.00 0.20 C ATOM 505 CG GLN A 32 -1.520 -8.164 -10.126 1.00 0.83 C ATOM 506 CD GLN A 32 -0.123 -7.780 -10.619 1.00 0.32 C ATOM 507 OE1 GLN A 32 0.316 -8.202 -11.671 1.00 0.31 O ATOM 508 NE2 GLN A 32 0.605 -6.977 -9.890 1.00 0.50 N ATOM 0 H GLN A 32 -1.966 -11.625 -9.213 1.00 0.12 H new ATOM 0 HA GLN A 32 -3.799 -9.274 -9.621 1.00 0.09 H new ATOM 0 HB2 GLN A 32 -1.165 -10.156 -10.896 1.00 0.20 H new ATOM 0 HB3 GLN A 32 -2.288 -9.215 -11.856 1.00 0.20 H new ATOM 0 HG2 GLN A 32 -2.221 -7.353 -10.322 1.00 0.83 H new ATOM 0 HG3 GLN A 32 -1.506 -8.320 -9.047 1.00 0.83 H new ATOM 0 HE21 GLN A 32 0.241 -6.620 -9.006 1.00 0.50 H new ATOM 0 HE22 GLN A 32 1.537 -6.707 -10.204 1.00 0.50 H new ATOM 517 N ASN A 33 -4.724 -10.185 -11.887 1.00 0.20 N ATOM 518 CA ASN A 33 -5.593 -10.903 -12.858 1.00 0.31 C ATOM 519 C ASN A 33 -6.338 -11.986 -12.107 1.00 0.33 C ATOM 520 O ASN A 33 -5.894 -13.112 -12.032 1.00 0.61 O ATOM 521 CB ASN A 33 -4.724 -11.539 -13.951 1.00 0.52 C ATOM 522 CG ASN A 33 -5.591 -11.806 -15.188 1.00 0.90 C ATOM 523 OD1 ASN A 33 -6.698 -11.320 -15.302 1.00 2.43 O ATOM 524 ND2 ASN A 33 -5.125 -12.569 -16.137 1.00 0.54 N ATOM 0 H ASN A 33 -4.732 -9.168 -11.964 1.00 0.20 H new ATOM 0 HA ASN A 33 -6.296 -10.212 -13.324 1.00 0.31 H new ATOM 0 HB2 ASN A 33 -3.897 -10.877 -14.207 1.00 0.52 H new ATOM 0 HB3 ASN A 33 -4.287 -12.470 -13.590 1.00 0.52 H new ATOM 0 HD21 ASN A 33 -5.689 -12.753 -16.967 1.00 0.54 H new ATOM 0 HD22 ASN A 33 -4.196 -12.982 -16.050 1.00 0.54 H new ATOM 531 N VAL A 34 -7.459 -11.615 -11.558 1.00 0.18 N ATOM 532 CA VAL A 34 -8.253 -12.609 -10.792 1.00 0.31 C ATOM 533 C VAL A 34 -9.708 -12.730 -11.254 1.00 0.20 C ATOM 534 O VAL A 34 -10.223 -11.882 -11.953 1.00 0.21 O ATOM 535 CB VAL A 34 -8.240 -12.125 -9.343 1.00 0.51 C ATOM 536 CG1 VAL A 34 -8.905 -13.159 -8.458 1.00 2.04 C ATOM 537 CG2 VAL A 34 -6.791 -11.927 -8.875 1.00 1.36 C ATOM 0 H VAL A 34 -7.856 -10.677 -11.606 1.00 0.18 H new ATOM 0 HA VAL A 34 -7.811 -13.595 -10.934 1.00 0.31 H new ATOM 0 HB VAL A 34 -8.779 -11.180 -9.278 1.00 0.51 H new ATOM 0 HG11 VAL A 34 -8.896 -12.813 -7.424 1.00 2.04 H new ATOM 0 HG12 VAL A 34 -9.935 -13.307 -8.782 1.00 2.04 H new ATOM 0 HG13 VAL A 34 -8.363 -14.102 -8.530 1.00 2.04 H new ATOM 0 HG21 VAL A 34 -6.787 -11.582 -7.841 1.00 1.36 H new ATOM 0 HG22 VAL A 34 -6.254 -12.873 -8.944 1.00 1.36 H new ATOM 0 HG23 VAL A 34 -6.303 -11.185 -9.507 1.00 1.36 H new ATOM 547 N GLU A 35 -10.339 -13.811 -10.840 1.00 0.21 N ATOM 548 CA GLU A 35 -11.757 -14.044 -11.220 1.00 0.16 C ATOM 549 C GLU A 35 -12.360 -15.228 -10.439 1.00 0.16 C ATOM 550 O GLU A 35 -12.047 -16.370 -10.712 1.00 0.14 O ATOM 551 CB GLU A 35 -11.793 -14.377 -12.716 1.00 0.08 C ATOM 552 CG GLU A 35 -13.077 -13.816 -13.323 1.00 0.21 C ATOM 553 CD GLU A 35 -14.280 -14.426 -12.600 1.00 2.48 C ATOM 554 OE1 GLU A 35 -14.595 -15.556 -12.933 1.00 3.91 O ATOM 555 OE2 GLU A 35 -14.812 -13.729 -11.755 1.00 3.56 O ATOM 0 H GLU A 35 -9.924 -14.536 -10.255 1.00 0.21 H new ATOM 0 HA GLU A 35 -12.338 -13.151 -10.990 1.00 0.16 H new ATOM 0 HB2 GLU A 35 -10.923 -13.951 -13.217 1.00 0.08 H new ATOM 0 HB3 GLU A 35 -11.749 -15.456 -12.862 1.00 0.08 H new ATOM 0 HG2 GLU A 35 -13.094 -12.730 -13.231 1.00 0.21 H new ATOM 0 HG3 GLU A 35 -13.122 -14.046 -14.388 1.00 0.21 H new ATOM 562 N LYS A 36 -13.203 -14.933 -9.476 1.00 0.30 N ATOM 563 CA LYS A 36 -13.824 -16.040 -8.680 1.00 0.36 C ATOM 564 C LYS A 36 -14.466 -17.059 -9.600 1.00 0.58 C ATOM 565 O LYS A 36 -15.548 -16.860 -10.116 1.00 1.58 O ATOM 566 CB LYS A 36 -14.906 -15.474 -7.743 1.00 0.68 C ATOM 567 CG LYS A 36 -15.565 -14.238 -8.362 1.00 0.43 C ATOM 568 CD LYS A 36 -14.883 -12.983 -7.809 1.00 1.96 C ATOM 569 CE LYS A 36 -15.211 -11.782 -8.703 1.00 2.21 C ATOM 570 NZ LYS A 36 -16.514 -11.974 -9.400 1.00 1.23 N ATOM 0 H LYS A 36 -13.484 -13.989 -9.210 1.00 0.30 H new ATOM 0 HA LYS A 36 -13.038 -16.519 -8.096 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -15.661 -16.236 -7.549 1.00 0.68 H new ATOM 0 HB3 LYS A 36 -14.462 -15.213 -6.782 1.00 0.68 H new ATOM 0 HG2 LYS A 36 -15.476 -14.268 -9.448 1.00 0.43 H new ATOM 0 HG3 LYS A 36 -16.630 -14.222 -8.129 1.00 0.43 H new ATOM 0 HD2 LYS A 36 -15.220 -12.793 -6.790 1.00 1.96 H new ATOM 0 HD3 LYS A 36 -13.804 -13.133 -7.765 1.00 1.96 H new ATOM 0 HE2 LYS A 36 -15.248 -10.875 -8.100 1.00 2.21 H new ATOM 0 HE3 LYS A 36 -14.418 -11.644 -9.438 1.00 2.21 H new ATOM 0 HZ1 LYS A 36 -16.853 -11.059 -9.761 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -16.389 -12.634 -10.194 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -17.211 -12.363 -8.733 1.00 1.23 H new ATOM 584 N GLN A 37 -13.767 -18.132 -9.786 1.00 0.87 N ATOM 585 CA GLN A 37 -14.273 -19.206 -10.657 1.00 0.80 C ATOM 586 C GLN A 37 -15.672 -19.638 -10.216 1.00 1.65 C ATOM 587 O GLN A 37 -16.057 -19.430 -9.084 1.00 2.27 O ATOM 588 CB GLN A 37 -13.267 -20.362 -10.532 1.00 0.29 C ATOM 589 CG GLN A 37 -13.943 -21.646 -10.031 1.00 1.99 C ATOM 590 CD GLN A 37 -12.900 -22.762 -9.981 1.00 3.93 C ATOM 591 OE1 GLN A 37 -11.833 -22.655 -10.554 1.00 4.71 O ATOM 592 NE2 GLN A 37 -13.165 -23.851 -9.314 1.00 5.55 N ATOM 0 H GLN A 37 -12.855 -18.311 -9.365 1.00 0.87 H new ATOM 0 HA GLN A 37 -14.362 -18.877 -11.692 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -12.803 -20.548 -11.501 1.00 0.29 H new ATOM 0 HB3 GLN A 37 -12.469 -20.078 -9.846 1.00 0.29 H new ATOM 0 HG2 GLN A 37 -14.372 -21.486 -9.042 1.00 1.99 H new ATOM 0 HG3 GLN A 37 -14.763 -21.924 -10.693 1.00 1.99 H new ATOM 0 HE21 GLN A 37 -14.058 -23.948 -8.831 1.00 5.55 H new ATOM 0 HE22 GLN A 37 -12.479 -24.605 -9.276 1.00 5.55 H new ATOM 601 N GLU A 38 -16.402 -20.225 -11.124 1.00 1.81 N ATOM 602 CA GLU A 38 -17.780 -20.680 -10.786 1.00 2.74 C ATOM 603 C GLU A 38 -17.784 -21.650 -9.602 1.00 1.64 C ATOM 604 O GLU A 38 -17.921 -22.844 -9.775 1.00 2.27 O ATOM 605 CB GLU A 38 -18.353 -21.407 -12.010 1.00 4.55 C ATOM 606 CG GLU A 38 -17.959 -20.655 -13.285 1.00 5.48 C ATOM 607 CD GLU A 38 -19.034 -20.882 -14.350 1.00 6.54 C ATOM 608 OE1 GLU A 38 -19.664 -21.924 -14.269 1.00 5.02 O ATOM 609 OE2 GLU A 38 -19.168 -20.000 -15.182 1.00 8.88 O ATOM 0 H GLU A 38 -16.105 -20.409 -12.082 1.00 1.81 H new ATOM 0 HA GLU A 38 -18.376 -19.809 -10.514 1.00 2.74 H new ATOM 0 HB2 GLU A 38 -17.977 -22.429 -12.048 1.00 4.55 H new ATOM 0 HB3 GLU A 38 -19.438 -21.470 -11.933 1.00 4.55 H new ATOM 0 HG2 GLU A 38 -17.854 -19.590 -13.077 1.00 5.48 H new ATOM 0 HG3 GLU A 38 -16.992 -21.006 -13.645 1.00 5.48 H new ATOM 616 N GLY A 39 -17.636 -21.126 -8.415 1.00 0.46 N ATOM 617 CA GLY A 39 -17.633 -22.024 -7.226 1.00 1.26 C ATOM 618 C GLY A 39 -17.275 -21.251 -5.955 1.00 1.49 C ATOM 619 O GLY A 39 -17.738 -21.579 -4.881 1.00 3.39 O ATOM 0 H GLY A 39 -17.519 -20.132 -8.219 1.00 0.46 H new ATOM 0 HA2 GLY A 39 -18.614 -22.485 -7.111 1.00 1.26 H new ATOM 0 HA3 GLY A 39 -16.917 -22.832 -7.378 1.00 1.26 H new ATOM 623 N GLY A 40 -16.460 -20.244 -6.111 1.00 1.03 N ATOM 624 CA GLY A 40 -16.048 -19.426 -4.932 1.00 0.71 C ATOM 625 C GLY A 40 -14.547 -19.594 -4.703 1.00 0.44 C ATOM 626 O GLY A 40 -14.089 -19.681 -3.581 1.00 0.52 O ATOM 0 H GLY A 40 -16.061 -19.951 -7.003 1.00 1.03 H new ATOM 0 HA2 GLY A 40 -16.287 -18.376 -5.102 1.00 0.71 H new ATOM 0 HA3 GLY A 40 -16.600 -19.739 -4.046 1.00 0.71 H new ATOM 630 N TRP A 41 -13.815 -19.634 -5.784 1.00 0.21 N ATOM 631 CA TRP A 41 -12.341 -19.796 -5.694 1.00 0.09 C ATOM 632 C TRP A 41 -11.754 -18.792 -6.644 1.00 0.19 C ATOM 633 O TRP A 41 -12.266 -18.613 -7.724 1.00 0.24 O ATOM 634 CB TRP A 41 -11.991 -21.251 -6.012 1.00 0.25 C ATOM 635 CG TRP A 41 -12.539 -22.019 -4.811 1.00 0.27 C ATOM 636 CD1 TRP A 41 -13.846 -22.300 -4.656 1.00 0.32 C ATOM 637 CD2 TRP A 41 -11.930 -22.105 -3.620 1.00 0.25 C ATOM 638 NE1 TRP A 41 -13.983 -22.509 -3.347 1.00 0.32 N ATOM 639 CE2 TRP A 41 -12.844 -22.396 -2.626 1.00 0.26 C ATOM 640 CE3 TRP A 41 -10.602 -21.931 -3.296 1.00 0.26 C ATOM 641 CZ2 TRP A 41 -12.436 -22.481 -1.305 1.00 0.24 C ATOM 642 CZ3 TRP A 41 -10.190 -22.030 -1.984 1.00 0.24 C ATOM 643 CH2 TRP A 41 -11.112 -22.299 -0.980 1.00 0.22 C ATOM 0 H TRP A 41 -14.182 -19.560 -6.733 1.00 0.21 H new ATOM 0 HA TRP A 41 -11.931 -19.605 -4.702 1.00 0.09 H new ATOM 0 HB2 TRP A 41 -12.451 -21.580 -6.943 1.00 0.25 H new ATOM 0 HB3 TRP A 41 -10.916 -21.391 -6.121 1.00 0.25 H new ATOM 0 HD1 TRP A 41 -14.610 -22.346 -5.418 1.00 0.32 H new ATOM 0 HE1 TRP A 41 -14.881 -22.737 -2.920 1.00 0.32 H new ATOM 0 HE3 TRP A 41 -9.882 -21.717 -4.072 1.00 0.26 H new ATOM 0 HZ2 TRP A 41 -13.158 -22.690 -0.530 1.00 0.24 H new ATOM 0 HZ3 TRP A 41 -9.147 -21.898 -1.736 1.00 0.24 H new ATOM 0 HH2 TRP A 41 -10.791 -22.365 0.049 1.00 0.22 H new ATOM 654 N TRP A 42 -10.695 -18.164 -6.235 1.00 0.21 N ATOM 655 CA TRP A 42 -10.072 -17.144 -7.097 1.00 0.24 C ATOM 656 C TRP A 42 -8.745 -17.541 -7.739 1.00 0.27 C ATOM 657 O TRP A 42 -7.949 -18.202 -7.127 1.00 0.57 O ATOM 658 CB TRP A 42 -9.763 -15.997 -6.146 1.00 0.24 C ATOM 659 CG TRP A 42 -11.053 -15.467 -5.521 1.00 0.23 C ATOM 660 CD1 TRP A 42 -12.054 -16.251 -5.083 1.00 0.23 C ATOM 661 CD2 TRP A 42 -11.416 -14.200 -5.490 1.00 0.22 C ATOM 662 NE1 TRP A 42 -13.025 -15.383 -4.855 1.00 0.22 N ATOM 663 CE2 TRP A 42 -12.719 -14.092 -5.065 1.00 0.22 C ATOM 664 CE3 TRP A 42 -10.673 -13.070 -5.722 1.00 0.22 C ATOM 665 CZ2 TRP A 42 -13.296 -12.863 -4.890 1.00 0.22 C ATOM 666 CZ3 TRP A 42 -11.253 -11.832 -5.541 1.00 0.22 C ATOM 667 CH2 TRP A 42 -12.565 -11.731 -5.127 1.00 0.23 C ATOM 0 H TRP A 42 -10.235 -18.316 -5.337 1.00 0.21 H new ATOM 0 HA TRP A 42 -10.752 -16.936 -7.923 1.00 0.24 H new ATOM 0 HB2 TRP A 42 -9.084 -16.337 -5.364 1.00 0.24 H new ATOM 0 HB3 TRP A 42 -9.255 -15.196 -6.683 1.00 0.24 H new ATOM 0 HD1 TRP A 42 -12.063 -17.323 -4.950 1.00 0.23 H new ATOM 0 HE1 TRP A 42 -13.950 -15.676 -4.539 1.00 0.22 H new ATOM 0 HE3 TRP A 42 -9.645 -13.149 -6.043 1.00 0.22 H new ATOM 0 HZ2 TRP A 42 -14.324 -12.787 -4.566 1.00 0.22 H new ATOM 0 HZ3 TRP A 42 -10.677 -10.937 -5.724 1.00 0.22 H new ATOM 0 HH2 TRP A 42 -13.015 -10.759 -4.990 1.00 0.23 H new ATOM 678 N ARG A 43 -8.519 -17.066 -8.948 1.00 0.22 N ATOM 679 CA ARG A 43 -7.242 -17.391 -9.661 1.00 0.20 C ATOM 680 C ARG A 43 -6.394 -16.129 -9.801 1.00 0.18 C ATOM 681 O ARG A 43 -6.818 -15.067 -9.419 1.00 0.19 O ATOM 682 CB ARG A 43 -7.552 -17.885 -11.071 1.00 0.26 C ATOM 683 CG ARG A 43 -6.924 -19.268 -11.272 1.00 0.23 C ATOM 684 CD ARG A 43 -7.188 -19.743 -12.704 1.00 0.30 C ATOM 685 NE ARG A 43 -6.206 -20.815 -13.043 1.00 1.09 N ATOM 686 CZ ARG A 43 -5.921 -21.056 -14.293 1.00 1.69 C ATOM 687 NH1 ARG A 43 -6.897 -21.269 -15.132 1.00 1.59 N ATOM 688 NH2 ARG A 43 -4.669 -21.078 -14.664 1.00 2.64 N ATOM 0 H ARG A 43 -9.164 -16.470 -9.467 1.00 0.22 H new ATOM 0 HA ARG A 43 -6.712 -18.153 -9.089 1.00 0.20 H new ATOM 0 HB2 ARG A 43 -8.630 -17.937 -11.222 1.00 0.26 H new ATOM 0 HB3 ARG A 43 -7.161 -17.184 -11.809 1.00 0.26 H new ATOM 0 HG2 ARG A 43 -5.851 -19.223 -11.084 1.00 0.23 H new ATOM 0 HG3 ARG A 43 -7.344 -19.977 -10.559 1.00 0.23 H new ATOM 0 HD2 ARG A 43 -8.206 -20.121 -12.795 1.00 0.30 H new ATOM 0 HD3 ARG A 43 -7.094 -18.911 -13.401 1.00 0.30 H new ATOM 0 HE ARG A 43 -5.761 -21.356 -12.302 1.00 1.09 H new ATOM 0 HH11 ARG A 43 -7.863 -21.245 -14.807 1.00 1.59 H new ATOM 0 HH12 ARG A 43 -6.694 -21.459 -16.113 1.00 1.59 H new ATOM 0 HH21 ARG A 43 -3.931 -20.908 -13.980 1.00 2.64 H new ATOM 0 HH22 ARG A 43 -4.429 -21.265 -15.638 1.00 2.64 H new ATOM 702 N GLY A 44 -5.205 -16.264 -10.343 1.00 0.18 N ATOM 703 CA GLY A 44 -4.314 -15.071 -10.510 1.00 0.18 C ATOM 704 C GLY A 44 -2.868 -15.423 -10.114 1.00 0.17 C ATOM 705 O GLY A 44 -2.630 -16.171 -9.187 1.00 0.09 O ATOM 0 H GLY A 44 -4.815 -17.146 -10.676 1.00 0.18 H new ATOM 0 HA2 GLY A 44 -4.342 -14.730 -11.545 1.00 0.18 H new ATOM 0 HA3 GLY A 44 -4.677 -14.249 -9.894 1.00 0.18 H new ATOM 709 N ASP A 45 -1.947 -14.869 -10.844 1.00 0.25 N ATOM 710 CA ASP A 45 -0.492 -15.117 -10.583 1.00 0.28 C ATOM 711 C ASP A 45 -0.047 -14.681 -9.186 1.00 0.29 C ATOM 712 O ASP A 45 -0.639 -13.817 -8.575 1.00 0.25 O ATOM 713 CB ASP A 45 0.309 -14.313 -11.617 1.00 0.32 C ATOM 714 CG ASP A 45 1.276 -13.373 -10.894 1.00 0.40 C ATOM 715 OD1 ASP A 45 0.785 -12.391 -10.365 1.00 0.63 O ATOM 716 OD2 ASP A 45 2.455 -13.691 -10.918 1.00 0.91 O ATOM 0 H ASP A 45 -2.137 -14.242 -11.626 1.00 0.25 H new ATOM 0 HA ASP A 45 -0.318 -16.191 -10.655 1.00 0.28 H new ATOM 0 HB2 ASP A 45 0.862 -14.989 -12.270 1.00 0.32 H new ATOM 0 HB3 ASP A 45 -0.367 -13.739 -12.251 1.00 0.32 H new ATOM 721 N TYR A 46 1.010 -15.294 -8.717 1.00 0.35 N ATOM 722 CA TYR A 46 1.538 -14.949 -7.367 1.00 0.37 C ATOM 723 C TYR A 46 2.875 -15.643 -7.127 1.00 0.45 C ATOM 724 O TYR A 46 2.993 -16.840 -7.290 1.00 1.82 O ATOM 725 CB TYR A 46 0.548 -15.422 -6.290 1.00 0.32 C ATOM 726 CG TYR A 46 0.970 -14.786 -4.965 1.00 0.34 C ATOM 727 CD1 TYR A 46 1.051 -13.410 -4.863 1.00 0.36 C ATOM 728 CD2 TYR A 46 1.442 -15.562 -3.911 1.00 0.36 C ATOM 729 CE1 TYR A 46 1.603 -12.821 -3.767 1.00 0.41 C ATOM 730 CE2 TYR A 46 1.997 -14.956 -2.811 1.00 0.40 C ATOM 731 CZ TYR A 46 2.082 -13.584 -2.726 1.00 0.43 C ATOM 732 OH TYR A 46 2.636 -12.984 -1.613 1.00 0.48 O ATOM 0 H TYR A 46 1.529 -16.019 -9.213 1.00 0.35 H new ATOM 0 HA TYR A 46 1.670 -13.868 -7.315 1.00 0.37 H new ATOM 0 HB2 TYR A 46 -0.469 -15.128 -6.549 1.00 0.32 H new ATOM 0 HB3 TYR A 46 0.556 -16.509 -6.213 1.00 0.32 H new ATOM 0 HD1 TYR A 46 0.671 -12.793 -5.664 1.00 0.36 H new ATOM 0 HD2 TYR A 46 1.372 -16.639 -3.958 1.00 0.36 H new ATOM 0 HE1 TYR A 46 1.666 -11.744 -3.714 1.00 0.41 H new ATOM 0 HE2 TYR A 46 2.372 -15.564 -2.001 1.00 0.40 H new ATOM 0 HH TYR A 46 2.921 -13.673 -0.977 1.00 0.48 H new ATOM 742 N GLY A 47 3.860 -14.874 -6.747 1.00 1.09 N ATOM 743 CA GLY A 47 5.199 -15.472 -6.490 1.00 1.17 C ATOM 744 C GLY A 47 5.906 -15.810 -7.807 1.00 1.29 C ATOM 745 O GLY A 47 6.810 -15.113 -8.222 1.00 2.42 O ATOM 0 H GLY A 47 3.795 -13.866 -6.605 1.00 1.09 H new ATOM 0 HA2 GLY A 47 5.808 -14.776 -5.913 1.00 1.17 H new ATOM 0 HA3 GLY A 47 5.090 -16.374 -5.889 1.00 1.17 H new ATOM 749 N GLY A 48 5.482 -16.874 -8.437 1.00 1.18 N ATOM 750 CA GLY A 48 6.131 -17.259 -9.726 1.00 1.20 C ATOM 751 C GLY A 48 5.130 -17.932 -10.671 1.00 1.09 C ATOM 752 O GLY A 48 5.071 -17.612 -11.840 1.00 1.74 O ATOM 0 H GLY A 48 4.728 -17.484 -8.122 1.00 1.18 H new ATOM 0 HA2 GLY A 48 6.548 -16.373 -10.205 1.00 1.20 H new ATOM 0 HA3 GLY A 48 6.962 -17.937 -9.530 1.00 1.20 H new ATOM 756 N LYS A 49 4.363 -18.852 -10.148 1.00 0.40 N ATOM 757 CA LYS A 49 3.373 -19.549 -11.003 1.00 0.26 C ATOM 758 C LYS A 49 2.436 -18.568 -11.681 1.00 0.30 C ATOM 759 O LYS A 49 2.575 -17.371 -11.533 1.00 0.45 O ATOM 760 CB LYS A 49 2.537 -20.449 -10.106 1.00 0.39 C ATOM 761 CG LYS A 49 2.915 -21.916 -10.349 1.00 1.04 C ATOM 762 CD LYS A 49 4.437 -22.112 -10.158 1.00 1.56 C ATOM 763 CE LYS A 49 5.159 -22.427 -11.489 1.00 1.59 C ATOM 764 NZ LYS A 49 5.567 -23.860 -11.535 1.00 1.12 N ATOM 0 H LYS A 49 4.383 -19.146 -9.171 1.00 0.40 H new ATOM 0 HA LYS A 49 3.906 -20.110 -11.771 1.00 0.26 H new ATOM 0 HB2 LYS A 49 2.701 -20.190 -9.060 1.00 0.39 H new ATOM 0 HB3 LYS A 49 1.477 -20.298 -10.310 1.00 0.39 H new ATOM 0 HG2 LYS A 49 2.368 -22.559 -9.659 1.00 1.04 H new ATOM 0 HG3 LYS A 49 2.626 -22.212 -11.358 1.00 1.04 H new ATOM 0 HD2 LYS A 49 4.865 -21.211 -9.719 1.00 1.56 H new ATOM 0 HD3 LYS A 49 4.611 -22.924 -9.452 1.00 1.56 H new ATOM 0 HE2 LYS A 49 4.501 -22.203 -12.328 1.00 1.59 H new ATOM 0 HE3 LYS A 49 6.037 -21.789 -11.593 1.00 1.59 H new ATOM 0 HZ1 LYS A 49 6.050 -24.055 -12.435 1.00 1.12 H new ATOM 0 HZ2 LYS A 49 6.212 -24.063 -10.745 1.00 1.12 H new ATOM 0 HZ3 LYS A 49 4.724 -24.464 -11.457 1.00 1.12 H new ATOM 778 N LYS A 50 1.500 -19.105 -12.419 1.00 0.27 N ATOM 779 CA LYS A 50 0.539 -18.227 -13.118 1.00 0.35 C ATOM 780 C LYS A 50 -0.887 -18.739 -12.981 1.00 0.31 C ATOM 781 O LYS A 50 -1.248 -19.766 -13.517 1.00 0.50 O ATOM 782 CB LYS A 50 0.887 -18.158 -14.608 1.00 0.47 C ATOM 783 CG LYS A 50 -0.098 -17.191 -15.290 1.00 1.12 C ATOM 784 CD LYS A 50 0.643 -16.287 -16.284 1.00 0.48 C ATOM 785 CE LYS A 50 1.116 -17.127 -17.472 1.00 1.95 C ATOM 786 NZ LYS A 50 2.112 -16.373 -18.281 1.00 1.84 N ATOM 0 H LYS A 50 1.366 -20.106 -12.562 1.00 0.27 H new ATOM 0 HA LYS A 50 0.606 -17.240 -12.661 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.912 -17.813 -14.743 1.00 0.47 H new ATOM 0 HB3 LYS A 50 0.821 -19.148 -15.060 1.00 0.47 H new ATOM 0 HG2 LYS A 50 -0.872 -17.756 -15.810 1.00 1.12 H new ATOM 0 HG3 LYS A 50 -0.599 -16.582 -14.538 1.00 1.12 H new ATOM 0 HD2 LYS A 50 -0.014 -15.488 -16.627 1.00 0.48 H new ATOM 0 HD3 LYS A 50 1.495 -15.812 -15.797 1.00 0.48 H new ATOM 0 HE2 LYS A 50 1.559 -18.057 -17.114 1.00 1.95 H new ATOM 0 HE3 LYS A 50 0.264 -17.399 -18.095 1.00 1.95 H new ATOM 0 HZ1 LYS A 50 2.422 -16.958 -19.083 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 1.678 -15.498 -18.638 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 2.933 -16.135 -17.688 1.00 1.84 H new ATOM 800 N GLN A 51 -1.636 -18.005 -12.212 1.00 0.34 N ATOM 801 CA GLN A 51 -3.066 -18.333 -11.954 1.00 0.25 C ATOM 802 C GLN A 51 -3.282 -19.641 -11.206 1.00 0.13 C ATOM 803 O GLN A 51 -3.561 -20.666 -11.796 1.00 0.17 O ATOM 804 CB GLN A 51 -3.835 -18.377 -13.292 1.00 0.36 C ATOM 805 CG GLN A 51 -4.162 -16.947 -13.741 1.00 1.26 C ATOM 806 CD GLN A 51 -3.847 -16.793 -15.227 1.00 0.69 C ATOM 807 OE1 GLN A 51 -4.454 -17.418 -16.075 1.00 0.86 O ATOM 808 NE2 GLN A 51 -2.906 -15.965 -15.581 1.00 2.38 N ATOM 0 H GLN A 51 -1.307 -17.165 -11.736 1.00 0.34 H new ATOM 0 HA GLN A 51 -3.445 -17.543 -11.305 1.00 0.25 H new ATOM 0 HB2 GLN A 51 -3.236 -18.880 -14.051 1.00 0.36 H new ATOM 0 HB3 GLN A 51 -4.753 -18.953 -13.177 1.00 0.36 H new ATOM 0 HG2 GLN A 51 -5.214 -16.729 -13.557 1.00 1.26 H new ATOM 0 HG3 GLN A 51 -3.582 -16.231 -13.160 1.00 1.26 H new ATOM 0 HE21 GLN A 51 -2.395 -15.440 -14.871 1.00 2.38 H new ATOM 0 HE22 GLN A 51 -2.680 -15.842 -16.568 1.00 2.38 H new ATOM 817 N LEU A 52 -3.140 -19.565 -9.905 1.00 0.13 N ATOM 818 CA LEU A 52 -3.334 -20.769 -9.053 1.00 0.21 C ATOM 819 C LEU A 52 -4.687 -20.585 -8.345 1.00 0.27 C ATOM 820 O LEU A 52 -5.639 -20.241 -9.012 1.00 0.49 O ATOM 821 CB LEU A 52 -2.162 -20.876 -8.039 1.00 0.30 C ATOM 822 CG LEU A 52 -0.797 -21.076 -8.762 1.00 0.09 C ATOM 823 CD1 LEU A 52 0.169 -21.835 -7.844 1.00 0.05 C ATOM 824 CD2 LEU A 52 -0.919 -21.898 -10.052 1.00 0.10 C ATOM 0 H LEU A 52 -2.897 -18.714 -9.398 1.00 0.13 H new ATOM 0 HA LEU A 52 -3.340 -21.692 -9.633 1.00 0.21 H new ATOM 0 HB2 LEU A 52 -2.123 -19.973 -7.430 1.00 0.30 H new ATOM 0 HB3 LEU A 52 -2.341 -21.710 -7.361 1.00 0.30 H new ATOM 0 HG LEU A 52 -0.436 -20.077 -9.008 1.00 0.09 H new ATOM 0 HD11 LEU A 52 1.123 -21.973 -8.354 1.00 0.05 H new ATOM 0 HD12 LEU A 52 0.326 -21.264 -6.929 1.00 0.05 H new ATOM 0 HD13 LEU A 52 -0.254 -22.809 -7.596 1.00 0.05 H new ATOM 0 HD21 LEU A 52 0.064 -22.003 -10.511 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -1.318 -22.885 -9.818 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -1.590 -21.390 -10.745 1.00 0.10 H new ATOM 836 N TRP A 53 -4.796 -20.808 -7.050 1.00 0.18 N ATOM 837 CA TRP A 53 -6.153 -20.606 -6.428 1.00 0.21 C ATOM 838 C TRP A 53 -6.157 -20.020 -5.026 1.00 0.21 C ATOM 839 O TRP A 53 -5.287 -20.271 -4.227 1.00 0.21 O ATOM 840 CB TRP A 53 -6.871 -21.945 -6.319 1.00 0.27 C ATOM 841 CG TRP A 53 -7.262 -22.373 -7.717 1.00 0.29 C ATOM 842 CD1 TRP A 53 -6.645 -23.334 -8.403 1.00 0.39 C ATOM 843 CD2 TRP A 53 -8.198 -21.791 -8.459 1.00 0.26 C ATOM 844 NE1 TRP A 53 -7.252 -23.303 -9.593 1.00 0.38 N ATOM 845 CE2 TRP A 53 -8.231 -22.366 -9.714 1.00 0.29 C ATOM 846 CE3 TRP A 53 -9.027 -20.724 -8.160 1.00 0.26 C ATOM 847 CZ2 TRP A 53 -9.093 -21.871 -10.674 1.00 0.24 C ATOM 848 CZ3 TRP A 53 -9.878 -20.227 -9.124 1.00 0.25 C ATOM 849 CH2 TRP A 53 -9.911 -20.801 -10.378 1.00 0.21 C ATOM 0 H TRP A 53 -4.048 -21.106 -6.424 1.00 0.18 H new ATOM 0 HA TRP A 53 -6.640 -19.891 -7.091 1.00 0.21 H new ATOM 0 HB2 TRP A 53 -6.223 -22.690 -5.858 1.00 0.27 H new ATOM 0 HB3 TRP A 53 -7.754 -21.855 -5.686 1.00 0.27 H new ATOM 0 HD1 TRP A 53 -5.846 -23.983 -8.076 1.00 0.39 H new ATOM 0 HE1 TRP A 53 -7.000 -23.934 -10.354 1.00 0.38 H new ATOM 0 HE3 TRP A 53 -9.007 -20.282 -7.175 1.00 0.26 H new ATOM 0 HZ2 TRP A 53 -9.126 -22.322 -11.655 1.00 0.24 H new ATOM 0 HZ3 TRP A 53 -10.519 -19.388 -8.897 1.00 0.25 H new ATOM 0 HH2 TRP A 53 -10.580 -20.411 -11.131 1.00 0.21 H new ATOM 860 N PHE A 54 -7.142 -19.198 -4.775 1.00 0.20 N ATOM 861 CA PHE A 54 -7.250 -18.579 -3.435 1.00 0.21 C ATOM 862 C PHE A 54 -8.741 -18.515 -3.052 1.00 0.20 C ATOM 863 O PHE A 54 -9.544 -18.011 -3.801 1.00 0.20 O ATOM 864 CB PHE A 54 -6.692 -17.141 -3.391 1.00 0.17 C ATOM 865 CG PHE A 54 -6.108 -16.732 -4.711 1.00 0.12 C ATOM 866 CD1 PHE A 54 -5.031 -17.399 -5.222 1.00 0.13 C ATOM 867 CD2 PHE A 54 -6.679 -15.707 -5.422 1.00 0.07 C ATOM 868 CE1 PHE A 54 -4.532 -17.067 -6.444 1.00 0.09 C ATOM 869 CE2 PHE A 54 -6.195 -15.364 -6.638 1.00 0.07 C ATOM 870 CZ PHE A 54 -5.104 -16.052 -7.163 1.00 0.09 C ATOM 0 H PHE A 54 -7.869 -18.934 -5.440 1.00 0.20 H new ATOM 0 HA PHE A 54 -6.665 -19.188 -2.746 1.00 0.21 H new ATOM 0 HB2 PHE A 54 -7.489 -16.450 -3.116 1.00 0.17 H new ATOM 0 HB3 PHE A 54 -5.927 -17.071 -2.617 1.00 0.17 H new ATOM 0 HD1 PHE A 54 -4.573 -18.194 -4.653 1.00 0.13 H new ATOM 0 HD2 PHE A 54 -7.520 -15.171 -5.008 1.00 0.07 H new ATOM 0 HE1 PHE A 54 -3.686 -17.604 -6.846 1.00 0.09 H new ATOM 0 HE2 PHE A 54 -6.652 -14.562 -7.198 1.00 0.07 H new ATOM 0 HZ PHE A 54 -4.711 -15.786 -8.133 1.00 0.09 H new ATOM 880 N PRO A 55 -9.093 -19.020 -1.903 1.00 0.19 N ATOM 881 CA PRO A 55 -10.495 -19.003 -1.451 1.00 0.19 C ATOM 882 C PRO A 55 -11.161 -17.645 -1.519 1.00 0.17 C ATOM 883 O PRO A 55 -10.534 -16.612 -1.391 1.00 0.24 O ATOM 884 CB PRO A 55 -10.410 -19.386 0.016 1.00 0.19 C ATOM 885 CG PRO A 55 -8.998 -19.997 0.250 1.00 0.19 C ATOM 886 CD PRO A 55 -8.148 -19.612 -0.938 1.00 0.20 C ATOM 0 HA PRO A 55 -11.085 -19.661 -2.089 1.00 0.19 H new ATOM 0 HB2 PRO A 55 -10.562 -18.513 0.651 1.00 0.19 H new ATOM 0 HB3 PRO A 55 -11.188 -20.105 0.272 1.00 0.19 H new ATOM 0 HG2 PRO A 55 -8.562 -19.619 1.175 1.00 0.19 H new ATOM 0 HG3 PRO A 55 -9.058 -21.081 0.346 1.00 0.19 H new ATOM 0 HD2 PRO A 55 -7.373 -18.899 -0.655 1.00 0.20 H new ATOM 0 HD3 PRO A 55 -7.643 -20.481 -1.361 1.00 0.20 H new ATOM 894 N SER A 56 -12.443 -17.702 -1.721 1.00 0.14 N ATOM 895 CA SER A 56 -13.243 -16.469 -1.800 1.00 0.17 C ATOM 896 C SER A 56 -13.678 -16.250 -0.372 1.00 0.23 C ATOM 897 O SER A 56 -14.497 -15.414 -0.047 1.00 0.32 O ATOM 898 CB SER A 56 -14.473 -16.719 -2.682 1.00 0.23 C ATOM 899 OG SER A 56 -15.365 -17.443 -1.843 1.00 0.14 O ATOM 0 H SER A 56 -12.972 -18.566 -1.836 1.00 0.14 H new ATOM 0 HA SER A 56 -12.702 -15.622 -2.221 1.00 0.17 H new ATOM 0 HB2 SER A 56 -14.917 -15.783 -3.021 1.00 0.23 H new ATOM 0 HB3 SER A 56 -14.214 -17.290 -3.574 1.00 0.23 H new ATOM 0 HG SER A 56 -15.313 -18.398 -2.057 1.00 0.14 H new ATOM 905 N ASN A 57 -13.063 -17.064 0.449 1.00 0.21 N ATOM 906 CA ASN A 57 -13.308 -17.054 1.886 1.00 0.27 C ATOM 907 C ASN A 57 -12.061 -16.501 2.542 1.00 0.30 C ATOM 908 O ASN A 57 -12.061 -16.164 3.709 1.00 0.38 O ATOM 909 CB ASN A 57 -13.520 -18.520 2.327 1.00 0.25 C ATOM 910 CG ASN A 57 -15.019 -18.786 2.476 1.00 0.46 C ATOM 911 OD1 ASN A 57 -15.575 -18.696 3.552 1.00 1.66 O ATOM 912 ND2 ASN A 57 -15.713 -19.111 1.419 1.00 2.64 N ATOM 0 H ASN A 57 -12.376 -17.756 0.149 1.00 0.21 H new ATOM 0 HA ASN A 57 -14.177 -16.454 2.157 1.00 0.27 H new ATOM 0 HB2 ASN A 57 -13.089 -19.200 1.592 1.00 0.25 H new ATOM 0 HB3 ASN A 57 -13.009 -18.706 3.272 1.00 0.25 H new ATOM 0 HD21 ASN A 57 -16.714 -19.287 1.501 1.00 2.64 H new ATOM 0 HD22 ASN A 57 -15.254 -19.189 0.512 1.00 2.64 H new ATOM 919 N TYR A 58 -11.015 -16.422 1.745 1.00 0.31 N ATOM 920 CA TYR A 58 -9.732 -15.896 2.268 1.00 0.37 C ATOM 921 C TYR A 58 -9.389 -14.513 1.675 1.00 0.56 C ATOM 922 O TYR A 58 -8.938 -13.635 2.385 1.00 1.32 O ATOM 923 CB TYR A 58 -8.587 -16.864 1.906 1.00 0.24 C ATOM 924 CG TYR A 58 -8.446 -17.977 2.971 1.00 0.09 C ATOM 925 CD1 TYR A 58 -9.477 -18.895 3.232 1.00 0.14 C ATOM 926 CD2 TYR A 58 -7.276 -18.068 3.707 1.00 0.17 C ATOM 927 CE1 TYR A 58 -9.322 -19.848 4.220 1.00 0.22 C ATOM 928 CE2 TYR A 58 -7.137 -19.029 4.688 1.00 0.36 C ATOM 929 CZ TYR A 58 -8.153 -19.922 4.951 1.00 0.37 C ATOM 930 OH TYR A 58 -8.004 -20.881 5.933 1.00 0.56 O ATOM 0 H TYR A 58 -11.006 -16.700 0.764 1.00 0.31 H new ATOM 0 HA TYR A 58 -9.842 -15.800 3.348 1.00 0.37 H new ATOM 0 HB2 TYR A 58 -8.778 -17.311 0.930 1.00 0.24 H new ATOM 0 HB3 TYR A 58 -7.651 -16.312 1.825 1.00 0.24 H new ATOM 0 HD1 TYR A 58 -10.392 -18.856 2.659 1.00 0.14 H new ATOM 0 HD2 TYR A 58 -6.466 -17.381 3.512 1.00 0.17 H new ATOM 0 HE1 TYR A 58 -10.124 -20.543 4.423 1.00 0.22 H new ATOM 0 HE2 TYR A 58 -6.220 -19.082 5.257 1.00 0.36 H new ATOM 0 HH TYR A 58 -7.120 -20.791 6.347 1.00 0.56 H new ATOM 940 N VAL A 59 -9.611 -14.339 0.388 1.00 0.31 N ATOM 941 CA VAL A 59 -9.293 -13.016 -0.245 1.00 0.25 C ATOM 942 C VAL A 59 -10.485 -12.056 -0.254 1.00 0.36 C ATOM 943 O VAL A 59 -11.517 -12.321 0.329 1.00 0.48 O ATOM 944 CB VAL A 59 -8.894 -13.251 -1.709 1.00 0.16 C ATOM 945 CG1 VAL A 59 -7.684 -14.168 -1.746 1.00 0.34 C ATOM 946 CG2 VAL A 59 -10.069 -13.869 -2.497 1.00 0.23 C ATOM 0 H VAL A 59 -9.993 -15.045 -0.241 1.00 0.31 H new ATOM 0 HA VAL A 59 -8.492 -12.569 0.344 1.00 0.25 H new ATOM 0 HB VAL A 59 -8.643 -12.299 -2.177 1.00 0.16 H new ATOM 0 HG11 VAL A 59 -7.391 -14.342 -2.781 1.00 0.34 H new ATOM 0 HG12 VAL A 59 -6.858 -13.702 -1.209 1.00 0.34 H new ATOM 0 HG13 VAL A 59 -7.933 -15.119 -1.275 1.00 0.34 H new ATOM 0 HG21 VAL A 59 -9.769 -14.029 -3.533 1.00 0.23 H new ATOM 0 HG22 VAL A 59 -10.346 -14.823 -2.048 1.00 0.23 H new ATOM 0 HG23 VAL A 59 -10.923 -13.192 -2.467 1.00 0.23 H new ATOM 956 N GLU A 60 -10.287 -10.947 -0.932 1.00 0.36 N ATOM 957 CA GLU A 60 -11.349 -9.902 -1.045 1.00 0.46 C ATOM 958 C GLU A 60 -10.804 -8.698 -1.829 1.00 0.50 C ATOM 959 O GLU A 60 -9.777 -8.151 -1.483 1.00 0.65 O ATOM 960 CB GLU A 60 -11.743 -9.450 0.364 1.00 0.63 C ATOM 961 CG GLU A 60 -13.198 -9.843 0.639 1.00 0.82 C ATOM 962 CD GLU A 60 -13.515 -9.617 2.119 1.00 1.01 C ATOM 963 OE1 GLU A 60 -12.901 -8.721 2.674 1.00 1.22 O ATOM 964 OE2 GLU A 60 -14.353 -10.355 2.611 1.00 1.01 O ATOM 0 H GLU A 60 -9.419 -10.722 -1.418 1.00 0.36 H new ATOM 0 HA GLU A 60 -12.216 -10.309 -1.566 1.00 0.46 H new ATOM 0 HB2 GLU A 60 -11.085 -9.910 1.102 1.00 0.63 H new ATOM 0 HB3 GLU A 60 -11.623 -8.371 0.458 1.00 0.63 H new ATOM 0 HG2 GLU A 60 -13.870 -9.251 0.017 1.00 0.82 H new ATOM 0 HG3 GLU A 60 -13.360 -10.889 0.377 1.00 0.82 H new ATOM 971 N GLU A 61 -11.505 -8.306 -2.866 1.00 0.42 N ATOM 972 CA GLU A 61 -11.038 -7.144 -3.684 1.00 0.49 C ATOM 973 C GLU A 61 -10.843 -5.881 -2.867 1.00 0.68 C ATOM 974 O GLU A 61 -11.694 -5.015 -2.844 1.00 0.87 O ATOM 975 CB GLU A 61 -12.079 -6.857 -4.760 1.00 0.41 C ATOM 976 CG GLU A 61 -12.474 -8.180 -5.381 1.00 0.50 C ATOM 977 CD GLU A 61 -12.677 -8.004 -6.887 1.00 0.61 C ATOM 978 OE1 GLU A 61 -11.668 -7.891 -7.562 1.00 1.62 O ATOM 979 OE2 GLU A 61 -13.832 -7.990 -7.279 1.00 2.37 O ATOM 0 H GLU A 61 -12.375 -8.738 -3.179 1.00 0.42 H new ATOM 0 HA GLU A 61 -10.071 -7.416 -4.108 1.00 0.49 H new ATOM 0 HB2 GLU A 61 -12.949 -6.362 -4.328 1.00 0.41 H new ATOM 0 HB3 GLU A 61 -11.673 -6.185 -5.516 1.00 0.41 H new ATOM 0 HG2 GLU A 61 -11.701 -8.926 -5.193 1.00 0.50 H new ATOM 0 HG3 GLU A 61 -13.391 -8.549 -4.922 1.00 0.50 H new ATOM 986 N MET A 62 -9.715 -5.816 -2.237 1.00 0.64 N ATOM 987 CA MET A 62 -9.376 -4.633 -1.395 1.00 0.81 C ATOM 988 C MET A 62 -10.611 -3.959 -0.799 1.00 0.91 C ATOM 989 O MET A 62 -11.170 -3.053 -1.388 1.00 0.92 O ATOM 990 CB MET A 62 -8.668 -3.610 -2.293 1.00 0.93 C ATOM 991 CG MET A 62 -7.168 -3.899 -2.305 1.00 0.83 C ATOM 992 SD MET A 62 -6.151 -2.965 -3.474 1.00 0.89 S ATOM 993 CE MET A 62 -5.236 -4.372 -4.146 1.00 1.59 C ATOM 0 H MET A 62 -8.997 -6.540 -2.266 1.00 0.64 H new ATOM 0 HA MET A 62 -8.752 -4.975 -0.569 1.00 0.81 H new ATOM 0 HB2 MET A 62 -9.068 -3.660 -3.306 1.00 0.93 H new ATOM 0 HB3 MET A 62 -8.852 -2.600 -1.928 1.00 0.93 H new ATOM 0 HG2 MET A 62 -6.782 -3.717 -1.302 1.00 0.83 H new ATOM 0 HG3 MET A 62 -7.031 -4.960 -2.512 1.00 0.83 H new ATOM 0 HE1 MET A 62 -4.586 -4.032 -4.952 1.00 1.59 H new ATOM 0 HE2 MET A 62 -4.632 -4.823 -3.358 1.00 1.59 H new ATOM 0 HE3 MET A 62 -5.938 -5.111 -4.533 1.00 1.59 H new ATOM 1003 N VAL A 63 -11.014 -4.402 0.355 1.00 1.08 N ATOM 1004 CA VAL A 63 -12.186 -3.804 0.990 1.00 1.22 C ATOM 1005 C VAL A 63 -11.731 -2.691 1.911 1.00 1.81 C ATOM 1006 O VAL A 63 -11.575 -2.865 3.105 1.00 2.45 O ATOM 1007 CB VAL A 63 -12.876 -4.851 1.821 1.00 1.77 C ATOM 1008 CG1 VAL A 63 -13.834 -5.660 0.945 1.00 2.98 C ATOM 1009 CG2 VAL A 63 -11.840 -5.782 2.448 1.00 0.88 C ATOM 0 H VAL A 63 -10.571 -5.157 0.878 1.00 1.08 H new ATOM 0 HA VAL A 63 -12.862 -3.415 0.228 1.00 1.22 H new ATOM 0 HB VAL A 63 -13.442 -4.361 2.613 1.00 1.77 H new ATOM 0 HG11 VAL A 63 -14.331 -6.417 1.552 1.00 2.98 H new ATOM 0 HG12 VAL A 63 -14.581 -4.995 0.512 1.00 2.98 H new ATOM 0 HG13 VAL A 63 -13.274 -6.146 0.146 1.00 2.98 H new ATOM 0 HG21 VAL A 63 -12.346 -6.538 3.048 1.00 0.88 H new ATOM 0 HG22 VAL A 63 -11.265 -6.269 1.661 1.00 0.88 H new ATOM 0 HG23 VAL A 63 -11.168 -5.204 3.083 1.00 0.88 H new ATOM 1019 N ASN A 64 -11.513 -1.588 1.303 1.00 2.13 N ATOM 1020 CA ASN A 64 -11.056 -0.376 2.043 1.00 2.75 C ATOM 1021 C ASN A 64 -12.092 0.758 1.999 1.00 4.55 C ATOM 1022 O ASN A 64 -12.049 1.588 1.111 1.00 5.13 O ATOM 1023 CB ASN A 64 -9.791 0.134 1.340 1.00 1.84 C ATOM 1024 CG ASN A 64 -10.094 0.352 -0.146 1.00 2.83 C ATOM 1025 OD1 ASN A 64 -10.212 -0.584 -0.911 1.00 3.62 O ATOM 1026 ND2 ASN A 64 -10.227 1.570 -0.595 1.00 4.21 N ATOM 0 H ASN A 64 -11.630 -1.454 0.299 1.00 2.13 H new ATOM 0 HA ASN A 64 -10.890 -0.649 3.085 1.00 2.75 H new ATOM 0 HB2 ASN A 64 -9.458 1.066 1.796 1.00 1.84 H new ATOM 0 HB3 ASN A 64 -8.981 -0.585 1.457 1.00 1.84 H new ATOM 0 HD21 ASN A 64 -10.429 1.731 -1.582 1.00 4.21 H new ATOM 0 HD22 ASN A 64 -10.129 2.361 0.041 1.00 4.21 H new ATOM 1033 N PRO A 65 -13.023 0.775 2.937 1.00 5.79 N ATOM 1034 CA PRO A 65 -14.053 1.828 2.969 1.00 7.53 C ATOM 1035 C PRO A 65 -13.455 3.150 3.473 1.00 8.35 C ATOM 1036 O PRO A 65 -14.007 3.814 4.331 1.00 9.48 O ATOM 1037 CB PRO A 65 -15.114 1.295 3.958 1.00 8.57 C ATOM 1038 CG PRO A 65 -14.509 0.056 4.663 1.00 7.79 C ATOM 1039 CD PRO A 65 -13.167 -0.257 3.985 1.00 5.98 C ATOM 0 HA PRO A 65 -14.471 2.035 1.984 1.00 7.53 H new ATOM 0 HB2 PRO A 65 -15.378 2.061 4.687 1.00 8.57 H new ATOM 0 HB3 PRO A 65 -16.030 1.028 3.431 1.00 8.57 H new ATOM 0 HG2 PRO A 65 -14.364 0.253 5.725 1.00 7.79 H new ATOM 0 HG3 PRO A 65 -15.185 -0.796 4.586 1.00 7.79 H new ATOM 0 HD2 PRO A 65 -12.344 -0.214 4.698 1.00 5.98 H new ATOM 0 HD3 PRO A 65 -13.165 -1.259 3.556 1.00 5.98 H new ATOM 1047 N GLU A 66 -12.329 3.505 2.917 1.00 7.98 N ATOM 1048 CA GLU A 66 -11.662 4.770 3.331 1.00 8.70 C ATOM 1049 C GLU A 66 -12.677 5.900 3.503 1.00 10.50 C ATOM 1050 O GLU A 66 -13.085 6.527 2.545 1.00 10.32 O ATOM 1051 CB GLU A 66 -10.650 5.158 2.241 1.00 6.19 C ATOM 1052 CG GLU A 66 -9.459 5.870 2.885 1.00 6.61 C ATOM 1053 CD GLU A 66 -8.431 6.221 1.807 1.00 4.28 C ATOM 1054 OE1 GLU A 66 -8.285 5.402 0.913 1.00 2.85 O ATOM 1055 OE2 GLU A 66 -7.852 7.286 1.938 1.00 4.39 O ATOM 0 H GLU A 66 -11.843 2.974 2.195 1.00 7.98 H new ATOM 0 HA GLU A 66 -11.165 4.615 4.289 1.00 8.70 H new ATOM 0 HB2 GLU A 66 -10.312 4.268 1.709 1.00 6.19 H new ATOM 0 HB3 GLU A 66 -11.123 5.809 1.505 1.00 6.19 H new ATOM 0 HG2 GLU A 66 -9.793 6.775 3.392 1.00 6.61 H new ATOM 0 HG3 GLU A 66 -9.005 5.230 3.641 1.00 6.61 H new ATOM 1062 N GLY A 67 -13.072 6.135 4.724 1.00 12.77 N ATOM 1063 CA GLY A 67 -14.060 7.222 4.977 1.00 14.91 C ATOM 1064 C GLY A 67 -14.884 6.925 6.235 1.00 17.34 C ATOM 1065 O GLY A 67 -16.043 7.282 6.317 1.00 18.38 O ATOM 0 H GLY A 67 -12.757 5.627 5.551 1.00 12.77 H new ATOM 0 HA2 GLY A 67 -13.540 8.173 5.093 1.00 14.91 H new ATOM 0 HA3 GLY A 67 -14.723 7.324 4.118 1.00 14.91 H new ATOM 1069 N ILE A 68 -14.270 6.280 7.192 1.00 18.28 N ATOM 1070 CA ILE A 68 -15.002 5.955 8.446 1.00 20.84 C ATOM 1071 C ILE A 68 -14.983 7.141 9.404 1.00 22.98 C ATOM 1072 O ILE A 68 -13.941 7.538 9.885 1.00 23.03 O ATOM 1073 CB ILE A 68 -14.301 4.769 9.115 1.00 21.02 C ATOM 1074 CG1 ILE A 68 -14.260 3.565 8.159 1.00 19.33 C ATOM 1075 CG2 ILE A 68 -15.074 4.396 10.391 1.00 23.84 C ATOM 1076 CD1 ILE A 68 -15.667 3.225 7.650 1.00 19.65 C ATOM 0 H ILE A 68 -13.300 5.967 7.158 1.00 18.28 H new ATOM 0 HA ILE A 68 -16.038 5.716 8.207 1.00 20.84 H new ATOM 0 HB ILE A 68 -13.277 5.044 9.366 1.00 21.02 H new ATOM 0 HG12 ILE A 68 -13.607 3.787 7.315 1.00 19.33 H new ATOM 0 HG13 ILE A 68 -13.836 2.702 8.672 1.00 19.33 H new ATOM 0 HG21 ILE A 68 -14.586 3.552 10.878 1.00 23.84 H new ATOM 0 HG22 ILE A 68 -15.088 5.249 11.070 1.00 23.84 H new ATOM 0 HG23 ILE A 68 -16.096 4.123 10.130 1.00 23.84 H new ATOM 0 HD11 ILE A 68 -15.613 2.370 6.976 1.00 19.65 H new ATOM 0 HD12 ILE A 68 -16.310 2.980 8.495 1.00 19.65 H new ATOM 0 HD13 ILE A 68 -16.078 4.082 7.117 1.00 19.65 H new ATOM 1088 N HIS A 69 -16.148 7.678 9.662 1.00 24.88 N ATOM 1089 CA HIS A 69 -16.242 8.842 10.584 1.00 27.17 C ATOM 1090 C HIS A 69 -16.822 8.424 11.933 1.00 29.36 C ATOM 1091 O HIS A 69 -17.084 7.263 12.170 1.00 29.48 O ATOM 1092 CB HIS A 69 -17.174 9.883 9.950 1.00 27.94 C ATOM 1093 CG HIS A 69 -16.486 11.249 9.962 1.00 26.75 C ATOM 1094 ND1 HIS A 69 -16.115 11.866 11.004 1.00 26.74 N ATOM 1095 CD2 HIS A 69 -16.142 12.081 8.913 1.00 25.60 C ATOM 1096 CE1 HIS A 69 -15.578 12.987 10.699 1.00 25.71 C ATOM 1097 NE2 HIS A 69 -15.560 13.193 9.391 1.00 24.87 N ATOM 0 H HIS A 69 -17.035 7.359 9.273 1.00 24.88 H new ATOM 0 HA HIS A 69 -15.244 9.250 10.745 1.00 27.17 H new ATOM 0 HB2 HIS A 69 -17.418 9.595 8.928 1.00 27.94 H new ATOM 0 HB3 HIS A 69 -18.113 9.931 10.501 1.00 27.94 H new ATOM 0 HD2 HIS A 69 -16.315 11.869 7.868 1.00 25.60 H new ATOM 0 HE1 HIS A 69 -15.185 13.684 11.424 1.00 25.71 H new ATOM 0 HE2 HIS A 69 -15.196 13.995 8.876 1.00 24.87 H new ATOM 1105 N ARG A 70 -17.014 9.389 12.790 1.00 31.23 N ATOM 1106 CA ARG A 70 -17.577 9.077 14.132 1.00 33.45 C ATOM 1107 C ARG A 70 -18.933 8.386 14.015 1.00 35.11 C ATOM 1108 O ARG A 70 -19.779 8.795 13.241 1.00 34.71 O ATOM 1109 CB ARG A 70 -17.757 10.394 14.896 1.00 35.22 C ATOM 1110 CG ARG A 70 -16.378 10.964 15.240 1.00 35.35 C ATOM 1111 CD ARG A 70 -16.537 12.392 15.766 1.00 35.49 C ATOM 1112 NE ARG A 70 -16.960 13.277 14.644 1.00 35.55 N ATOM 1113 CZ ARG A 70 -18.065 13.962 14.749 1.00 36.26 C ATOM 1114 NH1 ARG A 70 -19.107 13.398 15.300 1.00 37.65 N ATOM 1115 NH2 ARG A 70 -18.094 15.188 14.299 1.00 35.65 N ATOM 0 H ARG A 70 -16.807 10.373 12.620 1.00 31.23 H new ATOM 0 HA ARG A 70 -16.894 8.407 14.654 1.00 33.45 H new ATOM 0 HB2 ARG A 70 -18.318 11.106 14.291 1.00 35.22 H new ATOM 0 HB3 ARG A 70 -18.332 10.225 15.806 1.00 35.22 H new ATOM 0 HG2 ARG A 70 -15.891 10.340 15.990 1.00 35.35 H new ATOM 0 HG3 ARG A 70 -15.739 10.959 14.357 1.00 35.35 H new ATOM 0 HD2 ARG A 70 -17.277 12.419 16.566 1.00 35.49 H new ATOM 0 HD3 ARG A 70 -15.597 12.744 16.190 1.00 35.49 H new ATOM 0 HE ARG A 70 -16.390 13.346 13.801 1.00 35.55 H new ATOM 0 HH11 ARG A 70 -19.047 12.438 15.639 1.00 37.65 H new ATOM 0 HH12 ARG A 70 -19.980 13.918 15.391 1.00 37.65 H new ATOM 0 HH21 ARG A 70 -17.261 15.595 13.874 1.00 35.65 H new ATOM 0 HH22 ARG A 70 -18.950 15.738 14.373 1.00 35.65 H new ATOM 1129 N ASP A 71 -19.113 7.348 14.789 1.00 37.03 N ATOM 1130 CA ASP A 71 -20.400 6.611 14.746 1.00 38.90 C ATOM 1131 C ASP A 71 -21.320 7.043 15.885 1.00 41.02 C ATOM 1132 O ASP A 71 -22.479 7.271 15.586 1.00 41.61 O ATOM 1133 CB ASP A 71 -20.101 5.115 14.895 1.00 39.95 C ATOM 1134 CG ASP A 71 -19.015 4.720 13.892 1.00 38.16 C ATOM 1135 OD1 ASP A 71 -18.793 5.517 12.996 1.00 36.95 O ATOM 1136 OD2 ASP A 71 -18.471 3.644 14.078 1.00 38.14 O ATOM 1137 OXT ASP A 71 -20.810 7.122 16.991 1.00 42.01 O ATOM 0 H ASP A 71 -18.423 6.983 15.446 1.00 37.03 H new ATOM 0 HA ASP A 71 -20.898 6.824 13.800 1.00 38.90 H new ATOM 0 HB2 ASP A 71 -19.772 4.896 15.911 1.00 39.95 H new ATOM 0 HB3 ASP A 71 -21.005 4.531 14.720 1.00 39.95 H new TER 1142 ASP A 71