USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 132:sc= 0.866 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.758 USER MOD Set 2.1: A 7 THR OG1 : rot 139:sc= 1.58 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.908 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 171:sc= 0.419 (180deg=-0.018) USER MOD Set 3.2: A 12 THR OG1 : rot 166:sc= 0.465 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.289 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.17 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.718 X(o=-0.72,f=-0.9) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0.975 (180deg=0.329) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.0133 K(o=0.013,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.77 (180deg=1.74) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0408 (180deg=-0.278) USER MOD Single : A 31 GLN : amide:sc= -0.36 K(o=-0.36,f=-0.93) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.547 K(o=-0.55,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= 0.52 K(o=0.52,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0604) USER MOD Single : A 49 GLN : amide:sc= -0.0529 K(o=-0.053,f=-1.3) USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0103 K(o=-0.01,f=-0.55) USER MOD Single : A 62 GLN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 86:sc= 0.941 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0614 K(o=-0.061,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.339 -3.963 -3.664 1.00 0.78 N ATOM 2 CA MET A 1 12.839 -4.297 -2.312 1.00 0.70 C ATOM 3 C MET A 1 11.482 -4.898 -2.172 1.00 0.62 C ATOM 4 O MET A 1 10.477 -4.461 -2.729 1.00 0.68 O ATOM 5 CB MET A 1 12.796 -3.037 -1.431 1.00 0.75 C ATOM 6 CG MET A 1 12.350 -3.185 0.025 1.00 0.79 C ATOM 7 SD MET A 1 12.459 -1.627 0.956 1.00 1.10 S ATOM 8 CE MET A 1 11.200 -0.733 0.002 1.00 0.84 C ATOM 0 H1 MET A 1 14.279 -3.524 -3.588 1.00 0.78 H new ATOM 0 H2 MET A 1 13.407 -4.831 -4.233 1.00 0.78 H new ATOM 0 H3 MET A 1 12.683 -3.299 -4.122 1.00 0.78 H new ATOM 0 HA MET A 1 13.556 -5.063 -2.017 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.794 -2.598 -1.430 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.132 -2.318 -1.911 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.322 -3.547 0.051 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.966 -3.939 0.514 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.794 0.079 0.606 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.651 -0.323 -0.901 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.397 -1.417 -0.272 1.00 0.84 H new ATOM 20 N GLN A 2 11.384 -5.992 -1.395 1.00 0.59 N ATOM 21 CA GLN A 2 10.133 -6.604 -1.067 1.00 0.56 C ATOM 22 C GLN A 2 9.462 -6.059 0.146 1.00 0.50 C ATOM 23 O GLN A 2 10.101 -5.918 1.187 1.00 0.60 O ATOM 24 CB GLN A 2 10.443 -8.104 -0.936 1.00 0.71 C ATOM 25 CG GLN A 2 9.198 -8.995 -0.942 1.00 1.15 C ATOM 26 CD GLN A 2 8.948 -9.727 0.368 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.488 -10.806 0.610 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.161 -9.062 1.256 1.00 1.72 N ATOM 0 H GLN A 2 12.192 -6.462 -0.986 1.00 0.59 H new ATOM 0 HA GLN A 2 9.404 -6.392 -1.849 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.097 -8.403 -1.755 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.994 -8.272 -0.011 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.327 -8.382 -1.174 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.294 -9.729 -1.742 1.00 1.15 H new ATOM 0 HE21 GLN A 2 7.741 -8.170 0.996 1.00 1.72 H new ATOM 0 HE22 GLN A 2 7.991 -9.456 2.182 1.00 1.72 H new ATOM 37 N ILE A 3 8.185 -5.660 0.005 1.00 0.44 N ATOM 38 CA ILE A 3 7.246 -5.357 1.040 1.00 0.42 C ATOM 39 C ILE A 3 5.998 -6.169 1.002 1.00 0.40 C ATOM 40 O ILE A 3 5.724 -6.932 0.077 1.00 0.50 O ATOM 41 CB ILE A 3 6.872 -3.906 0.962 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.544 -3.581 -0.505 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.063 -3.086 1.486 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.716 -2.301 -0.611 1.00 0.72 C ATOM 0 H ILE A 3 7.774 -5.539 -0.921 1.00 0.44 H new ATOM 0 HA ILE A 3 7.749 -5.602 1.976 1.00 0.42 H new ATOM 0 HB ILE A 3 5.998 -3.666 1.567 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.468 -3.468 -1.072 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.996 -4.411 -0.951 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.821 -2.024 1.442 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.273 -3.368 2.518 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.940 -3.284 0.870 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.498 -2.094 -1.659 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.782 -2.426 -0.064 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.277 -1.469 -0.186 1.00 0.72 H new ATOM 56 N PHE A 4 5.187 -6.223 2.074 1.00 0.37 N ATOM 57 CA PHE A 4 3.923 -6.881 2.197 1.00 0.38 C ATOM 58 C PHE A 4 2.770 -5.948 2.343 1.00 0.39 C ATOM 59 O PHE A 4 2.717 -5.111 3.242 1.00 0.60 O ATOM 60 CB PHE A 4 4.001 -7.759 3.457 1.00 0.45 C ATOM 61 CG PHE A 4 5.053 -8.807 3.337 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.042 -9.842 2.431 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.004 -8.705 4.324 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.894 -10.899 2.649 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.806 -9.796 4.564 1.00 1.40 C ATOM 66 CZ PHE A 4 6.663 -10.923 3.789 1.00 0.85 C ATOM 0 H PHE A 4 5.446 -5.756 2.943 1.00 0.37 H new ATOM 0 HA PHE A 4 3.746 -7.447 1.283 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.209 -7.132 4.324 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.035 -8.232 3.631 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.384 -9.825 1.575 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.118 -7.795 4.894 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.959 -11.703 1.931 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.542 -9.768 5.354 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.160 -11.837 4.079 1.00 0.85 H new ATOM 76 N VAL A 5 1.749 -6.021 1.469 1.00 0.35 N ATOM 77 CA VAL A 5 0.536 -5.289 1.663 1.00 0.35 C ATOM 78 C VAL A 5 -0.552 -6.254 1.986 1.00 0.35 C ATOM 79 O VAL A 5 -0.873 -7.149 1.206 1.00 0.46 O ATOM 80 CB VAL A 5 0.136 -4.535 0.430 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.114 -3.671 0.671 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.284 -3.624 -0.039 1.00 0.56 C ATOM 0 H VAL A 5 1.765 -6.591 0.623 1.00 0.35 H new ATOM 0 HA VAL A 5 0.698 -4.574 2.470 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.092 -5.275 -0.337 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.372 -3.141 -0.246 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.946 -4.310 0.967 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.911 -2.950 1.463 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.977 -3.084 -0.935 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.528 -2.911 0.749 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.161 -4.231 -0.264 1.00 0.56 H new ATOM 92 N LYS A 6 -1.027 -6.140 3.239 1.00 0.36 N ATOM 93 CA LYS A 6 -2.054 -6.982 3.771 1.00 0.39 C ATOM 94 C LYS A 6 -3.400 -6.436 3.440 1.00 0.46 C ATOM 95 O LYS A 6 -3.615 -5.228 3.528 1.00 0.53 O ATOM 96 CB LYS A 6 -2.017 -7.049 5.306 1.00 0.54 C ATOM 97 CG LYS A 6 -1.048 -8.101 5.850 1.00 1.22 C ATOM 98 CD LYS A 6 -1.395 -8.633 7.242 1.00 1.37 C ATOM 99 CE LYS A 6 -0.245 -9.460 7.821 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.087 -10.716 7.055 1.00 2.09 N ATOM 0 H LYS A 6 -0.687 -5.443 3.901 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.880 -7.965 3.334 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.736 -6.071 5.697 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.019 -7.264 5.676 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.015 -8.939 5.154 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.047 -7.672 5.880 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.618 -7.799 7.908 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.295 -9.246 7.186 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.680 -8.885 7.787 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.441 -9.686 8.869 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.785 -11.197 7.354 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.903 -11.336 7.233 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.032 -10.499 6.039 1.00 2.09 H new ATOM 114 N THR A 7 -4.337 -7.336 3.092 1.00 0.58 N ATOM 115 CA THR A 7 -5.674 -6.878 2.874 1.00 0.78 C ATOM 116 C THR A 7 -6.520 -7.156 4.069 1.00 0.94 C ATOM 117 O THR A 7 -6.155 -7.813 5.042 1.00 0.99 O ATOM 118 CB THR A 7 -6.416 -7.466 1.710 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.359 -8.885 1.734 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.787 -7.005 0.384 1.00 0.92 C ATOM 0 H THR A 7 -4.182 -8.336 2.966 1.00 0.58 H new ATOM 0 HA THR A 7 -5.524 -5.819 2.664 1.00 0.78 H new ATOM 0 HB THR A 7 -7.450 -7.129 1.786 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.235 -9.252 1.491 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.337 -7.440 -0.450 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.830 -5.918 0.319 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.747 -7.330 0.342 1.00 0.92 H new ATOM 128 N LEU A 8 -7.794 -6.726 4.122 1.00 1.17 N ATOM 129 CA LEU A 8 -8.715 -7.099 5.150 1.00 1.39 C ATOM 130 C LEU A 8 -9.263 -8.449 4.840 1.00 1.44 C ATOM 131 O LEU A 8 -9.545 -9.221 5.755 1.00 1.60 O ATOM 132 CB LEU A 8 -9.886 -6.108 5.261 1.00 1.66 C ATOM 133 CG LEU A 8 -9.295 -4.731 5.610 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.281 -3.672 5.090 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.002 -4.515 7.104 1.00 2.43 C ATOM 0 H LEU A 8 -8.196 -6.098 3.426 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.177 -7.098 6.098 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.439 -6.061 4.323 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.589 -6.430 6.030 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.317 -4.654 5.134 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.899 -2.677 5.317 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.395 -3.779 4.011 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.249 -3.808 5.572 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.588 -3.518 7.253 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.926 -4.614 7.674 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.284 -5.260 7.445 1.00 2.43 H new ATOM 147 N THR A 9 -9.318 -8.933 3.586 1.00 1.41 N ATOM 148 CA THR A 9 -9.882 -10.167 3.135 1.00 1.51 C ATOM 149 C THR A 9 -9.166 -11.373 3.639 1.00 1.37 C ATOM 150 O THR A 9 -9.719 -12.333 4.172 1.00 1.62 O ATOM 151 CB THR A 9 -10.097 -10.274 1.655 1.00 1.65 C ATOM 152 OG1 THR A 9 -8.934 -9.774 1.013 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.350 -9.492 1.225 1.00 2.08 C ATOM 0 H THR A 9 -8.925 -8.402 2.809 1.00 1.41 H new ATOM 0 HA THR A 9 -10.874 -10.143 3.587 1.00 1.51 H new ATOM 0 HB THR A 9 -10.262 -11.313 1.370 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.046 -9.833 0.041 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.485 -9.585 0.147 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.224 -9.896 1.736 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.230 -8.441 1.486 1.00 2.08 H new ATOM 161 N GLY A 10 -7.832 -11.258 3.517 1.00 1.18 N ATOM 162 CA GLY A 10 -6.990 -12.270 4.076 1.00 1.22 C ATOM 163 C GLY A 10 -5.646 -12.457 3.463 1.00 0.99 C ATOM 164 O GLY A 10 -4.933 -13.418 3.747 1.00 1.31 O ATOM 0 H GLY A 10 -7.348 -10.492 3.048 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.850 -12.046 5.133 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.521 -13.220 4.019 1.00 1.22 H new ATOM 168 N LYS A 11 -5.299 -11.558 2.524 1.00 0.73 N ATOM 169 CA LYS A 11 -4.090 -11.754 1.786 1.00 0.60 C ATOM 170 C LYS A 11 -2.933 -10.959 2.287 1.00 0.51 C ATOM 171 O LYS A 11 -2.948 -9.859 2.836 1.00 0.63 O ATOM 172 CB LYS A 11 -4.296 -11.345 0.317 1.00 0.75 C ATOM 173 CG LYS A 11 -5.537 -11.900 -0.382 1.00 0.87 C ATOM 174 CD LYS A 11 -5.561 -11.581 -1.879 1.00 1.04 C ATOM 175 CE LYS A 11 -6.659 -12.431 -2.521 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.499 -12.342 -3.989 1.00 1.40 N ATOM 0 H LYS A 11 -5.834 -10.724 2.281 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.860 -12.813 1.902 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -4.336 -10.257 0.269 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -3.418 -11.657 -0.249 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.575 -12.981 -0.244 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -6.430 -11.487 0.088 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.755 -10.521 -2.040 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.594 -11.801 -2.332 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.583 -13.467 -2.190 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -7.644 -12.073 -2.222 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.970 -13.152 -4.439 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.927 -11.458 -4.332 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.487 -12.353 -4.229 1.00 1.40 H new ATOM 190 N THR A 12 -1.737 -11.535 2.073 1.00 0.49 N ATOM 191 CA THR A 12 -0.439 -10.960 2.244 1.00 0.48 C ATOM 192 C THR A 12 0.157 -10.905 0.880 1.00 0.52 C ATOM 193 O THR A 12 0.935 -11.750 0.440 1.00 0.72 O ATOM 194 CB THR A 12 0.379 -11.742 3.228 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.248 -11.654 4.499 1.00 0.77 O ATOM 196 CG2 THR A 12 1.804 -11.168 3.307 1.00 0.78 C ATOM 0 H THR A 12 -1.676 -12.500 1.748 1.00 0.49 H new ATOM 0 HA THR A 12 -0.482 -9.959 2.672 1.00 0.48 H new ATOM 0 HB THR A 12 0.445 -12.783 2.912 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.133 -12.329 5.099 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.389 -11.744 4.024 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.275 -11.226 2.326 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.760 -10.127 3.627 1.00 0.78 H new ATOM 204 N ILE A 13 -0.072 -9.762 0.207 1.00 0.48 N ATOM 205 CA ILE A 13 0.404 -9.502 -1.115 1.00 0.55 C ATOM 206 C ILE A 13 1.828 -9.070 -1.051 1.00 0.51 C ATOM 207 O ILE A 13 2.142 -7.991 -0.550 1.00 0.56 O ATOM 208 CB ILE A 13 -0.410 -8.574 -1.967 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.905 -8.863 -1.745 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.050 -8.543 -3.462 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.909 -8.219 -2.699 1.00 1.55 C ATOM 0 H ILE A 13 -0.610 -8.990 0.600 1.00 0.48 H new ATOM 0 HA ILE A 13 0.299 -10.452 -1.638 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.160 -7.566 -1.634 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.047 -9.943 -1.790 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.159 -8.550 -0.732 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.702 -7.839 -3.979 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.988 -8.231 -3.580 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.180 -9.538 -3.888 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.920 -8.514 -2.417 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.819 -7.134 -2.644 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.706 -8.548 -3.718 1.00 1.55 H new ATOM 223 N THR A 14 2.793 -9.875 -1.531 1.00 0.55 N ATOM 224 CA THR A 14 4.172 -9.540 -1.710 1.00 0.54 C ATOM 225 C THR A 14 4.328 -8.703 -2.933 1.00 0.55 C ATOM 226 O THR A 14 4.162 -9.117 -4.079 1.00 0.72 O ATOM 227 CB THR A 14 4.967 -10.802 -1.873 1.00 0.67 C ATOM 228 OG1 THR A 14 4.769 -11.698 -0.790 1.00 1.08 O ATOM 229 CG2 THR A 14 6.488 -10.572 -1.893 1.00 1.03 C ATOM 0 H THR A 14 2.592 -10.834 -1.815 1.00 0.55 H new ATOM 0 HA THR A 14 4.528 -8.985 -0.842 1.00 0.54 H new ATOM 0 HB THR A 14 4.613 -11.200 -2.824 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.302 -12.508 -0.934 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.999 -11.527 -2.014 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.746 -9.915 -2.724 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.799 -10.110 -0.956 1.00 1.03 H new ATOM 237 N LEU A 15 4.594 -7.394 -2.774 1.00 0.50 N ATOM 238 CA LEU A 15 4.902 -6.426 -3.780 1.00 0.55 C ATOM 239 C LEU A 15 6.374 -6.220 -3.676 1.00 0.52 C ATOM 240 O LEU A 15 7.042 -6.191 -2.644 1.00 0.58 O ATOM 241 CB LEU A 15 4.105 -5.120 -3.617 1.00 0.69 C ATOM 242 CG LEU A 15 2.583 -5.218 -3.809 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.978 -3.814 -3.985 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.099 -6.060 -5.001 1.00 1.55 C ATOM 0 H LEU A 15 4.592 -6.974 -1.845 1.00 0.50 H new ATOM 0 HA LEU A 15 4.615 -6.776 -4.772 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.299 -4.724 -2.620 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.493 -4.392 -4.330 1.00 0.69 H new ATOM 0 HG LEU A 15 2.249 -5.725 -2.904 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.900 -3.897 -4.120 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.188 -3.214 -3.100 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.418 -3.335 -4.860 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.009 -6.054 -5.032 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.491 -5.639 -5.927 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.453 -7.085 -4.890 1.00 1.55 H new ATOM 256 N GLU A 16 6.961 -5.919 -4.848 1.00 0.59 N ATOM 257 CA GLU A 16 8.283 -5.412 -5.047 1.00 0.63 C ATOM 258 C GLU A 16 8.305 -4.092 -5.737 1.00 0.65 C ATOM 259 O GLU A 16 7.750 -3.888 -6.815 1.00 0.81 O ATOM 260 CB GLU A 16 9.075 -6.440 -5.872 1.00 0.76 C ATOM 261 CG GLU A 16 9.274 -7.740 -5.088 1.00 1.41 C ATOM 262 CD GLU A 16 10.212 -8.669 -5.846 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.462 -8.640 -5.700 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.631 -9.528 -6.562 1.00 1.95 O ATOM 0 H GLU A 16 6.466 -6.042 -5.731 1.00 0.59 H new ATOM 0 HA GLU A 16 8.733 -5.256 -4.066 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.546 -6.650 -6.802 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.045 -6.023 -6.144 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.685 -7.520 -4.103 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.313 -8.230 -4.931 1.00 1.41 H new ATOM 271 N VAL A 17 9.043 -3.142 -5.133 1.00 0.61 N ATOM 272 CA VAL A 17 9.204 -1.795 -5.585 1.00 0.63 C ATOM 273 C VAL A 17 10.623 -1.463 -5.270 1.00 0.65 C ATOM 274 O VAL A 17 11.340 -2.199 -4.594 1.00 0.76 O ATOM 275 CB VAL A 17 8.179 -0.910 -4.941 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.793 -1.124 -5.575 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.299 -0.924 -3.408 1.00 0.92 C ATOM 0 H VAL A 17 9.560 -3.328 -4.274 1.00 0.61 H new ATOM 0 HA VAL A 17 9.031 -1.651 -6.651 1.00 0.63 H new ATOM 0 HB VAL A 17 8.376 0.139 -5.162 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.067 -0.471 -5.091 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.839 -0.890 -6.639 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.490 -2.163 -5.445 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.540 -0.271 -2.978 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.154 -1.940 -3.041 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.288 -0.571 -3.117 1.00 0.92 H new ATOM 287 N GLU A 18 11.069 -0.275 -5.713 1.00 0.68 N ATOM 288 CA GLU A 18 12.260 0.406 -5.306 1.00 0.74 C ATOM 289 C GLU A 18 11.806 1.375 -4.270 1.00 0.71 C ATOM 290 O GLU A 18 10.631 1.741 -4.257 1.00 0.74 O ATOM 291 CB GLU A 18 12.917 1.247 -6.413 1.00 0.88 C ATOM 292 CG GLU A 18 13.509 0.465 -7.588 1.00 1.16 C ATOM 293 CD GLU A 18 14.481 -0.601 -7.102 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.546 -0.311 -6.495 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.144 -1.788 -7.360 1.00 2.35 O ATOM 0 H GLU A 18 10.552 0.253 -6.416 1.00 0.68 H new ATOM 0 HA GLU A 18 12.991 -0.337 -4.988 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.174 1.942 -6.803 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.710 1.846 -5.965 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.707 -0.003 -8.159 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.023 1.150 -8.263 1.00 1.16 H new ATOM 302 N PRO A 19 12.621 1.794 -3.348 1.00 0.74 N ATOM 303 CA PRO A 19 12.282 2.663 -2.258 1.00 0.74 C ATOM 304 C PRO A 19 12.087 4.072 -2.700 1.00 0.70 C ATOM 305 O PRO A 19 11.617 4.951 -1.979 1.00 0.74 O ATOM 306 CB PRO A 19 13.468 2.748 -1.301 1.00 0.86 C ATOM 307 CG PRO A 19 14.637 2.102 -2.062 1.00 0.95 C ATOM 308 CD PRO A 19 13.950 1.241 -3.134 1.00 0.82 C ATOM 0 HA PRO A 19 11.373 2.255 -1.816 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.691 3.782 -1.039 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.263 2.220 -0.370 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.286 2.854 -2.510 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.258 1.497 -1.401 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.524 1.251 -4.061 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.886 0.202 -2.810 1.00 0.82 H new ATOM 316 N SER A 20 12.540 4.433 -3.913 1.00 0.70 N ATOM 317 CA SER A 20 12.259 5.711 -4.491 1.00 0.74 C ATOM 318 C SER A 20 11.075 5.753 -5.395 1.00 0.71 C ATOM 319 O SER A 20 10.828 6.770 -6.041 1.00 0.80 O ATOM 320 CB SER A 20 13.507 6.076 -5.312 1.00 0.89 C ATOM 321 OG SER A 20 13.885 5.143 -6.314 1.00 1.45 O ATOM 0 H SER A 20 13.111 3.828 -4.503 1.00 0.70 H new ATOM 0 HA SER A 20 12.024 6.402 -3.681 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.335 7.041 -5.788 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.345 6.203 -4.626 1.00 0.89 H new ATOM 0 HG SER A 20 14.685 5.467 -6.778 1.00 1.45 H new ATOM 327 N ASP A 21 10.305 4.656 -5.514 1.00 0.70 N ATOM 328 CA ASP A 21 9.025 4.664 -6.151 1.00 0.73 C ATOM 329 C ASP A 21 8.029 5.380 -5.307 1.00 0.64 C ATOM 330 O ASP A 21 8.179 5.393 -4.087 1.00 0.66 O ATOM 331 CB ASP A 21 8.548 3.218 -6.375 1.00 0.87 C ATOM 332 CG ASP A 21 9.425 2.572 -7.438 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.769 3.329 -8.386 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.744 1.354 -7.411 1.00 1.69 O ATOM 0 H ASP A 21 10.580 3.740 -5.158 1.00 0.70 H new ATOM 0 HA ASP A 21 9.117 5.177 -7.108 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.605 2.653 -5.444 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.505 3.209 -6.690 1.00 0.87 H new ATOM 339 N THR A 22 6.962 5.932 -5.913 1.00 0.63 N ATOM 340 CA THR A 22 5.897 6.589 -5.220 1.00 0.58 C ATOM 341 C THR A 22 4.834 5.583 -4.940 1.00 0.53 C ATOM 342 O THR A 22 4.735 4.542 -5.590 1.00 0.58 O ATOM 343 CB THR A 22 5.438 7.841 -5.906 1.00 0.63 C ATOM 344 OG1 THR A 22 4.893 7.605 -7.195 1.00 0.70 O ATOM 345 CG2 THR A 22 6.553 8.873 -6.138 1.00 0.75 C ATOM 0 H THR A 22 6.836 5.920 -6.925 1.00 0.63 H new ATOM 0 HA THR A 22 6.247 6.970 -4.261 1.00 0.58 H new ATOM 0 HB THR A 22 4.690 8.222 -5.211 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.610 8.456 -7.591 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.140 9.749 -6.638 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.979 9.170 -5.180 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.332 8.433 -6.761 1.00 0.75 H new ATOM 353 N ILE A 23 3.970 5.881 -3.954 1.00 0.51 N ATOM 354 CA ILE A 23 2.881 5.070 -3.504 1.00 0.48 C ATOM 355 C ILE A 23 1.837 4.855 -4.546 1.00 0.48 C ATOM 356 O ILE A 23 1.121 3.856 -4.539 1.00 0.51 O ATOM 357 CB ILE A 23 2.422 5.640 -2.194 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.485 5.555 -1.087 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.189 4.897 -1.653 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.058 4.171 -0.784 1.00 0.73 C ATOM 0 H ILE A 23 4.039 6.755 -3.433 1.00 0.51 H new ATOM 0 HA ILE A 23 3.195 4.042 -3.324 1.00 0.48 H new ATOM 0 HB ILE A 23 2.200 6.683 -2.420 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.311 6.212 -1.359 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.051 5.951 -0.169 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.886 5.338 -0.703 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.371 4.980 -2.369 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.435 3.846 -1.503 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.796 4.250 0.014 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.254 3.505 -0.471 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.533 3.770 -1.679 1.00 0.73 H new ATOM 372 N GLU A 24 1.861 5.689 -5.601 1.00 0.50 N ATOM 373 CA GLU A 24 1.151 5.520 -6.830 1.00 0.53 C ATOM 374 C GLU A 24 1.521 4.319 -7.633 1.00 0.50 C ATOM 375 O GLU A 24 0.620 3.710 -8.208 1.00 0.55 O ATOM 376 CB GLU A 24 1.513 6.751 -7.678 1.00 0.64 C ATOM 377 CG GLU A 24 0.746 6.925 -8.991 1.00 0.95 C ATOM 378 CD GLU A 24 0.991 8.294 -9.607 1.00 1.05 C ATOM 379 OE1 GLU A 24 2.180 8.529 -9.948 1.00 1.56 O ATOM 380 OE2 GLU A 24 0.104 9.189 -9.568 1.00 1.62 O ATOM 0 H GLU A 24 2.418 6.543 -5.593 1.00 0.50 H new ATOM 0 HA GLU A 24 0.096 5.398 -6.583 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.356 7.642 -7.070 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.577 6.706 -7.908 1.00 0.64 H new ATOM 0 HG2 GLU A 24 1.048 6.150 -9.695 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.321 6.793 -8.810 1.00 0.95 H new ATOM 387 N ASN A 25 2.796 3.895 -7.582 1.00 0.51 N ATOM 388 CA ASN A 25 3.310 2.658 -8.083 1.00 0.52 C ATOM 389 C ASN A 25 2.897 1.504 -7.236 1.00 0.47 C ATOM 390 O ASN A 25 2.826 0.370 -7.707 1.00 0.53 O ATOM 391 CB ASN A 25 4.844 2.596 -8.153 1.00 0.64 C ATOM 392 CG ASN A 25 5.423 3.639 -9.098 1.00 1.23 C ATOM 393 OD1 ASN A 25 6.046 4.618 -8.691 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.373 3.411 -10.438 1.00 1.57 N ATOM 0 H ASN A 25 3.526 4.465 -7.155 1.00 0.51 H new ATOM 0 HA ASN A 25 2.894 2.600 -9.089 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.257 2.744 -7.155 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.150 1.603 -8.481 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.846 4.046 -11.081 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.862 2.605 -10.800 1.00 1.57 H new ATOM 401 N VAL A 26 2.808 1.662 -5.904 1.00 0.45 N ATOM 402 CA VAL A 26 2.231 0.722 -4.993 1.00 0.44 C ATOM 403 C VAL A 26 0.812 0.374 -5.285 1.00 0.40 C ATOM 404 O VAL A 26 0.509 -0.787 -5.558 1.00 0.44 O ATOM 405 CB VAL A 26 2.405 1.137 -3.563 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.728 0.279 -2.480 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.907 1.165 -3.233 1.00 0.62 C ATOM 0 H VAL A 26 3.160 2.496 -5.435 1.00 0.45 H new ATOM 0 HA VAL A 26 2.798 -0.195 -5.152 1.00 0.44 H new ATOM 0 HB VAL A 26 1.906 2.105 -3.521 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.941 0.699 -1.497 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.651 0.269 -2.645 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.112 -0.740 -2.530 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.046 1.466 -2.195 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.331 0.172 -3.383 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.410 1.877 -3.887 1.00 0.62 H new ATOM 417 N LYS A 27 -0.082 1.365 -5.452 1.00 0.40 N ATOM 418 CA LYS A 27 -1.466 1.283 -5.805 1.00 0.41 C ATOM 419 C LYS A 27 -1.643 0.747 -7.184 1.00 0.38 C ATOM 420 O LYS A 27 -2.549 -0.074 -7.318 1.00 0.42 O ATOM 421 CB LYS A 27 -2.043 2.708 -5.744 1.00 0.51 C ATOM 422 CG LYS A 27 -2.234 3.034 -4.261 1.00 0.76 C ATOM 423 CD LYS A 27 -2.681 4.491 -4.123 1.00 0.82 C ATOM 424 CE LYS A 27 -2.989 4.844 -2.667 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.869 6.035 -2.690 1.00 1.11 N ATOM 0 H LYS A 27 0.202 2.336 -5.324 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.977 0.610 -5.116 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.366 3.421 -6.214 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -2.991 2.767 -6.280 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.978 2.369 -3.822 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.303 2.873 -3.718 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -1.900 5.150 -4.502 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.566 4.661 -4.736 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.480 4.011 -2.163 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.071 5.053 -2.118 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.050 6.352 -1.716 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.406 6.799 -3.222 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.771 5.792 -3.148 1.00 1.11 H new ATOM 439 N ALA A 28 -0.769 1.059 -8.158 1.00 0.39 N ATOM 440 CA ALA A 28 -0.755 0.521 -9.482 1.00 0.39 C ATOM 441 C ALA A 28 -0.737 -0.965 -9.584 1.00 0.36 C ATOM 442 O ALA A 28 -1.512 -1.510 -10.370 1.00 0.42 O ATOM 443 CB ALA A 28 0.504 1.046 -10.192 1.00 0.51 C ATOM 0 H ALA A 28 -0.020 1.735 -8.008 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.693 0.841 -9.935 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.541 0.651 -11.207 1.00 0.51 H new ATOM 0 HB2 ALA A 28 0.474 2.135 -10.228 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.391 0.725 -9.645 1.00 0.51 H new ATOM 449 N LYS A 29 0.124 -1.612 -8.780 1.00 0.39 N ATOM 450 CA LYS A 29 0.303 -3.029 -8.721 1.00 0.43 C ATOM 451 C LYS A 29 -0.841 -3.664 -8.010 1.00 0.44 C ATOM 452 O LYS A 29 -1.168 -4.826 -8.249 1.00 0.54 O ATOM 453 CB LYS A 29 1.646 -3.353 -8.045 1.00 0.54 C ATOM 454 CG LYS A 29 2.786 -2.702 -8.832 1.00 0.65 C ATOM 455 CD LYS A 29 4.126 -2.999 -8.153 1.00 1.08 C ATOM 456 CE LYS A 29 5.269 -2.312 -8.903 1.00 1.24 C ATOM 457 NZ LYS A 29 5.355 -2.768 -10.309 1.00 1.44 N ATOM 0 H LYS A 29 0.733 -1.114 -8.131 1.00 0.39 H new ATOM 0 HA LYS A 29 0.326 -3.438 -9.731 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.645 -2.989 -7.018 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.791 -4.432 -8.000 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.795 -3.080 -9.854 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.630 -1.625 -8.891 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.101 -2.653 -7.120 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.296 -4.075 -8.125 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.122 -1.232 -8.879 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.212 -2.517 -8.396 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.266 -2.472 -10.715 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.281 -3.805 -10.343 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.578 -2.348 -10.858 1.00 1.44 H new ATOM 471 N ILE A 30 -1.563 -3.044 -7.059 1.00 0.41 N ATOM 472 CA ILE A 30 -2.745 -3.642 -6.519 1.00 0.44 C ATOM 473 C ILE A 30 -3.946 -3.510 -7.391 1.00 0.45 C ATOM 474 O ILE A 30 -4.780 -4.410 -7.479 1.00 0.56 O ATOM 475 CB ILE A 30 -2.971 -3.084 -5.145 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.697 -3.270 -4.305 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.187 -3.789 -4.520 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.666 -2.743 -2.870 1.00 1.32 C ATOM 0 H ILE A 30 -1.330 -2.132 -6.665 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.585 -4.719 -6.462 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.183 -2.016 -5.186 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.482 -4.338 -4.267 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.876 -2.799 -4.845 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.363 -3.393 -3.520 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.067 -3.615 -5.139 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.994 -4.860 -4.457 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.695 -2.958 -2.424 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.833 -1.666 -2.874 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.448 -3.229 -2.287 1.00 1.32 H new ATOM 490 N GLN A 31 -4.076 -2.459 -8.220 1.00 0.41 N ATOM 491 CA GLN A 31 -5.080 -2.348 -9.233 1.00 0.48 C ATOM 492 C GLN A 31 -4.907 -3.333 -10.336 1.00 0.52 C ATOM 493 O GLN A 31 -5.897 -3.797 -10.900 1.00 0.66 O ATOM 494 CB GLN A 31 -4.961 -0.930 -9.816 1.00 0.52 C ATOM 495 CG GLN A 31 -5.855 -0.565 -11.004 1.00 0.70 C ATOM 496 CD GLN A 31 -5.686 0.880 -11.452 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.717 1.550 -11.412 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.479 1.317 -11.899 1.00 1.43 N ATOM 0 H GLN A 31 -3.454 -1.651 -8.183 1.00 0.41 H new ATOM 0 HA GLN A 31 -6.054 -2.547 -8.785 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.165 -0.221 -9.014 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.925 -0.779 -10.119 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.629 -1.228 -11.839 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.897 -0.737 -10.734 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.676 0.688 -11.895 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.377 2.273 -12.238 1.00 1.43 H new ATOM 507 N ASP A 32 -3.642 -3.681 -10.636 1.00 0.50 N ATOM 508 CA ASP A 32 -3.346 -4.768 -11.516 1.00 0.60 C ATOM 509 C ASP A 32 -3.819 -6.122 -11.111 1.00 0.65 C ATOM 510 O ASP A 32 -4.594 -6.772 -11.809 1.00 0.81 O ATOM 511 CB ASP A 32 -1.817 -4.746 -11.673 1.00 0.67 C ATOM 512 CG ASP A 32 -1.342 -5.661 -12.793 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.752 -5.406 -13.956 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.356 -6.431 -12.638 1.00 1.51 O ATOM 0 H ASP A 32 -2.819 -3.205 -10.266 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.900 -4.610 -12.441 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.489 -3.726 -11.875 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.352 -5.051 -10.735 1.00 0.67 H new ATOM 519 N LYS A 33 -3.510 -6.451 -9.843 1.00 0.62 N ATOM 520 CA LYS A 33 -3.872 -7.763 -9.405 1.00 0.73 C ATOM 521 C LYS A 33 -5.227 -7.930 -8.807 1.00 0.69 C ATOM 522 O LYS A 33 -5.936 -8.875 -9.150 1.00 0.83 O ATOM 523 CB LYS A 33 -2.850 -8.277 -8.377 1.00 0.85 C ATOM 524 CG LYS A 33 -1.444 -8.438 -8.959 1.00 1.31 C ATOM 525 CD LYS A 33 -0.553 -8.741 -7.754 1.00 1.71 C ATOM 526 CE LYS A 33 0.947 -8.612 -8.024 1.00 2.26 C ATOM 527 NZ LYS A 33 1.523 -9.443 -9.106 1.00 2.62 N ATOM 0 H LYS A 33 -3.041 -5.855 -9.161 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.882 -8.336 -10.332 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.811 -7.586 -7.535 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.187 -9.237 -7.986 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.409 -9.246 -9.690 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.122 -7.531 -9.471 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.822 -8.067 -6.941 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.761 -9.754 -7.410 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.158 -7.568 -8.254 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.476 -8.849 -7.101 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.544 -9.257 -9.181 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.369 -10.449 -8.891 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.061 -9.208 -10.008 1.00 2.62 H new ATOM 541 N GLU A 34 -5.720 -7.049 -7.918 1.00 0.63 N ATOM 542 CA GLU A 34 -6.939 -7.233 -7.192 1.00 0.67 C ATOM 543 C GLU A 34 -8.089 -6.490 -7.779 1.00 0.69 C ATOM 544 O GLU A 34 -9.212 -6.959 -7.951 1.00 0.95 O ATOM 545 CB GLU A 34 -6.831 -6.872 -5.700 1.00 0.73 C ATOM 546 CG GLU A 34 -5.841 -7.735 -4.914 1.00 0.83 C ATOM 547 CD GLU A 34 -6.052 -9.241 -4.950 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.819 -9.706 -4.066 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.351 -10.026 -5.644 1.00 1.37 O ATOM 0 H GLU A 34 -5.250 -6.172 -7.696 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.126 -8.304 -7.277 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.534 -5.827 -5.611 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.817 -6.963 -5.244 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.839 -7.525 -5.288 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.866 -7.415 -3.872 1.00 0.83 H new ATOM 556 N GLY A 35 -7.692 -5.299 -8.262 1.00 0.63 N ATOM 557 CA GLY A 35 -8.558 -4.454 -9.025 1.00 0.68 C ATOM 558 C GLY A 35 -9.357 -3.549 -8.152 1.00 0.76 C ATOM 559 O GLY A 35 -10.582 -3.650 -8.089 1.00 1.12 O ATOM 0 H GLY A 35 -6.757 -4.917 -8.121 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.966 -3.859 -9.720 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.230 -5.068 -9.624 1.00 0.68 H new ATOM 563 N ILE A 36 -8.595 -2.624 -7.540 1.00 0.70 N ATOM 564 CA ILE A 36 -9.085 -1.550 -6.735 1.00 0.76 C ATOM 565 C ILE A 36 -8.513 -0.275 -7.255 1.00 0.71 C ATOM 566 O ILE A 36 -7.290 -0.169 -7.211 1.00 0.73 O ATOM 567 CB ILE A 36 -8.682 -1.788 -5.310 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.733 -3.254 -4.848 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.482 -0.791 -4.455 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.801 -3.526 -3.345 1.00 1.16 C ATOM 0 H ILE A 36 -7.578 -2.628 -7.612 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.173 -1.490 -6.776 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.616 -1.598 -5.188 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.601 -3.721 -5.313 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.851 -3.760 -5.240 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.224 -0.924 -3.404 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.241 0.227 -4.762 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.549 -0.968 -4.592 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.832 -4.602 -3.171 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.921 -3.105 -2.859 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.699 -3.066 -2.932 1.00 1.16 H new ATOM 582 N PRO A 37 -9.241 0.701 -7.709 1.00 0.75 N ATOM 583 CA PRO A 37 -8.688 1.954 -8.133 1.00 0.79 C ATOM 584 C PRO A 37 -7.850 2.706 -7.156 1.00 0.75 C ATOM 585 O PRO A 37 -8.237 2.586 -5.996 1.00 0.75 O ATOM 586 CB PRO A 37 -9.923 2.817 -8.385 1.00 0.95 C ATOM 587 CG PRO A 37 -10.892 1.786 -8.985 1.00 1.02 C ATOM 588 CD PRO A 37 -10.650 0.586 -8.055 1.00 0.85 C ATOM 0 HA PRO A 37 -8.018 1.747 -8.967 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.310 3.259 -7.467 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.718 3.638 -9.073 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.927 2.127 -8.958 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.659 1.556 -10.025 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.285 0.630 -7.170 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.864 -0.359 -8.555 1.00 0.85 H new ATOM 596 N PRO A 38 -6.820 3.422 -7.500 1.00 0.81 N ATOM 597 CA PRO A 38 -5.952 4.062 -6.555 1.00 0.85 C ATOM 598 C PRO A 38 -6.618 5.030 -5.638 1.00 0.89 C ATOM 599 O PRO A 38 -6.136 5.323 -4.545 1.00 0.99 O ATOM 600 CB PRO A 38 -4.963 4.810 -7.446 1.00 1.01 C ATOM 601 CG PRO A 38 -4.795 3.873 -8.653 1.00 1.25 C ATOM 602 CD PRO A 38 -6.217 3.315 -8.819 1.00 0.98 C ATOM 0 HA PRO A 38 -5.519 3.320 -5.884 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.348 5.785 -7.744 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.015 4.984 -6.937 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.459 4.407 -9.542 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.067 3.085 -8.461 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.781 3.885 -9.558 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.197 2.280 -9.161 1.00 0.98 H new ATOM 610 N ASP A 39 -7.786 5.566 -6.033 1.00 0.96 N ATOM 611 CA ASP A 39 -8.710 6.416 -5.348 1.00 1.11 C ATOM 612 C ASP A 39 -9.243 5.704 -4.152 1.00 1.00 C ATOM 613 O ASP A 39 -9.378 6.246 -3.057 1.00 1.14 O ATOM 614 CB ASP A 39 -9.763 6.881 -6.368 1.00 1.39 C ATOM 615 CG ASP A 39 -10.650 7.982 -5.805 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.055 8.946 -5.254 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.894 7.787 -5.846 1.00 2.25 O ATOM 0 H ASP A 39 -8.127 5.370 -6.974 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.246 7.318 -4.950 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.263 7.241 -7.267 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.381 6.033 -6.665 1.00 1.39 H new ATOM 622 N GLN A 40 -9.588 4.413 -4.303 1.00 0.87 N ATOM 623 CA GLN A 40 -10.166 3.699 -3.206 1.00 0.84 C ATOM 624 C GLN A 40 -9.229 3.110 -2.209 1.00 0.67 C ATOM 625 O GLN A 40 -9.583 2.594 -1.151 1.00 0.80 O ATOM 626 CB GLN A 40 -10.982 2.514 -3.750 1.00 0.95 C ATOM 627 CG GLN A 40 -12.386 2.982 -4.134 1.00 1.32 C ATOM 628 CD GLN A 40 -13.272 1.823 -4.570 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.264 0.878 -3.784 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.178 2.018 -5.566 1.00 2.02 N ATOM 0 H GLN A 40 -9.471 3.874 -5.161 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.743 4.465 -2.688 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.482 2.085 -4.618 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.044 1.728 -2.997 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.844 3.490 -3.285 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.317 3.710 -4.942 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.103 2.836 -6.171 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.932 1.346 -5.708 1.00 2.02 H new ATOM 639 N GLN A 41 -7.936 3.028 -2.571 1.00 0.56 N ATOM 640 CA GLN A 41 -6.935 2.408 -1.761 1.00 0.51 C ATOM 641 C GLN A 41 -6.353 3.328 -0.743 1.00 0.49 C ATOM 642 O GLN A 41 -5.406 4.069 -0.997 1.00 0.65 O ATOM 643 CB GLN A 41 -5.815 1.943 -2.708 1.00 0.67 C ATOM 644 CG GLN A 41 -6.185 0.918 -3.782 1.00 0.69 C ATOM 645 CD GLN A 41 -4.966 0.441 -4.560 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.951 0.090 -3.964 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.051 0.630 -5.904 1.00 0.61 N ATOM 0 H GLN A 41 -7.578 3.403 -3.450 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.394 1.585 -1.213 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.408 2.823 -3.207 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.014 1.522 -2.101 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.674 0.063 -3.314 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.905 1.359 -4.471 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.934 0.923 -6.323 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.232 0.479 -6.493 1.00 0.61 H new ATOM 656 N ARG A 42 -6.779 3.122 0.517 1.00 0.47 N ATOM 657 CA ARG A 42 -6.305 3.798 1.685 1.00 0.55 C ATOM 658 C ARG A 42 -5.268 2.915 2.288 1.00 0.46 C ATOM 659 O ARG A 42 -5.540 1.912 2.944 1.00 0.52 O ATOM 660 CB ARG A 42 -7.456 3.969 2.692 1.00 0.73 C ATOM 661 CG ARG A 42 -7.198 4.565 4.078 1.00 1.04 C ATOM 662 CD ARG A 42 -8.516 4.706 4.841 1.00 1.28 C ATOM 663 NE ARG A 42 -8.208 4.967 6.276 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.122 5.011 7.288 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.447 4.825 7.021 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.719 5.167 8.583 1.00 2.78 N ATOM 0 H ARG A 42 -7.503 2.437 0.733 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.910 4.782 1.435 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.213 4.589 2.212 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.899 2.985 2.843 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.512 3.927 4.635 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.719 5.539 3.980 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.108 5.522 4.426 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.111 3.798 4.741 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.231 5.126 6.522 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.755 4.653 6.064 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.129 4.858 7.778 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.726 5.252 8.801 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.411 5.199 9.332 1.00 2.78 H new ATOM 680 N LEU A 43 -3.976 3.221 2.071 1.00 0.46 N ATOM 681 CA LEU A 43 -2.924 2.509 2.727 1.00 0.42 C ATOM 682 C LEU A 43 -2.516 3.011 4.069 1.00 0.43 C ATOM 683 O LEU A 43 -2.043 4.125 4.288 1.00 0.55 O ATOM 684 CB LEU A 43 -1.634 2.427 1.893 1.00 0.55 C ATOM 685 CG LEU A 43 -1.700 1.761 0.508 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.545 2.073 -0.461 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.937 0.249 0.660 1.00 1.12 C ATOM 0 H LEU A 43 -3.661 3.960 1.443 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.394 1.534 2.852 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.262 3.442 1.756 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.890 1.892 2.484 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.554 2.225 0.014 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.706 1.545 -1.401 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.507 3.146 -0.649 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.398 1.749 -0.020 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.982 -0.213 -0.326 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.119 -0.192 1.230 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.878 0.079 1.184 1.00 1.12 H new ATOM 699 N ILE A 44 -2.539 2.108 5.066 1.00 0.42 N ATOM 700 CA ILE A 44 -2.140 2.426 6.402 1.00 0.46 C ATOM 701 C ILE A 44 -0.839 1.761 6.694 1.00 0.42 C ATOM 702 O ILE A 44 -0.816 0.542 6.852 1.00 0.53 O ATOM 703 CB ILE A 44 -3.131 2.000 7.445 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.544 2.480 7.075 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.623 2.601 8.766 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.577 3.968 6.731 1.00 1.27 C ATOM 0 H ILE A 44 -2.840 1.141 4.942 1.00 0.42 H new ATOM 0 HA ILE A 44 -2.064 3.512 6.451 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.210 0.916 7.529 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.910 1.904 6.225 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.221 2.286 7.907 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.302 2.329 9.574 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.627 2.214 8.982 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.580 3.687 8.679 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.596 4.260 6.476 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.237 4.547 7.589 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.922 4.160 5.881 1.00 1.27 H new ATOM 718 N PHE A 45 0.280 2.505 6.747 1.00 0.42 N ATOM 719 CA PHE A 45 1.491 1.903 7.213 1.00 0.46 C ATOM 720 C PHE A 45 1.656 2.124 8.677 1.00 0.68 C ATOM 721 O PHE A 45 2.329 3.051 9.125 1.00 1.50 O ATOM 722 CB PHE A 45 2.629 2.564 6.416 1.00 0.56 C ATOM 723 CG PHE A 45 3.976 1.990 6.692 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.147 0.627 6.734 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.035 2.859 6.821 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.369 0.137 7.133 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.252 2.323 7.172 1.00 1.33 C ATOM 728 CZ PHE A 45 6.458 0.967 7.267 1.00 1.02 C ATOM 0 H PHE A 45 0.349 3.487 6.479 1.00 0.42 H new ATOM 0 HA PHE A 45 1.487 0.823 7.063 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.416 2.468 5.351 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.646 3.630 6.643 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.344 -0.041 6.461 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.915 3.919 6.653 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.475 -0.917 7.345 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.075 2.991 7.380 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.445 0.565 7.442 1.00 1.02 H new ATOM 738 N ALA A 46 1.168 1.175 9.496 1.00 0.81 N ATOM 739 CA ALA A 46 1.070 1.216 10.922 1.00 0.96 C ATOM 740 C ALA A 46 0.070 2.210 11.404 1.00 0.97 C ATOM 741 O ALA A 46 -0.973 1.909 11.982 1.00 1.21 O ATOM 742 CB ALA A 46 2.384 1.445 11.687 1.00 1.20 C ATOM 0 H ALA A 46 0.809 0.297 9.122 1.00 0.81 H new ATOM 0 HA ALA A 46 0.745 0.201 11.149 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.184 1.457 12.758 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.084 0.641 11.457 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.817 2.400 11.388 1.00 1.20 H new ATOM 748 N GLY A 47 0.367 3.498 11.155 1.00 0.99 N ATOM 749 CA GLY A 47 -0.407 4.641 11.527 1.00 1.10 C ATOM 750 C GLY A 47 -0.407 5.706 10.485 1.00 1.03 C ATOM 751 O GLY A 47 -1.269 6.582 10.420 1.00 1.30 O ATOM 0 H GLY A 47 1.216 3.759 10.654 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.434 4.330 11.722 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.016 5.051 12.458 1.00 1.10 H new ATOM 755 N LYS A 48 0.520 5.617 9.515 1.00 0.98 N ATOM 756 CA LYS A 48 0.529 6.696 8.578 1.00 1.05 C ATOM 757 C LYS A 48 -0.368 6.380 7.431 1.00 0.84 C ATOM 758 O LYS A 48 -0.210 5.318 6.830 1.00 0.81 O ATOM 759 CB LYS A 48 1.941 6.922 8.010 1.00 1.42 C ATOM 760 CG LYS A 48 2.929 7.441 9.058 1.00 1.61 C ATOM 761 CD LYS A 48 4.360 7.381 8.522 1.00 1.87 C ATOM 762 CE LYS A 48 5.428 8.140 9.313 1.00 2.22 C ATOM 763 NZ LYS A 48 5.188 9.592 9.158 1.00 2.55 N ATOM 0 H LYS A 48 1.205 4.873 9.382 1.00 0.98 H new ATOM 0 HA LYS A 48 0.192 7.589 9.104 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.315 5.985 7.598 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.886 7.633 7.186 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.678 8.467 9.326 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.850 6.845 9.967 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.658 6.334 8.468 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.357 7.765 7.502 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.389 7.860 10.366 1.00 2.22 H new ATOM 0 HE3 LYS A 48 6.423 7.880 8.951 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.980 10.121 9.575 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.110 9.825 8.147 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.305 9.852 9.642 1.00 2.55 H new ATOM 777 N GLN A 49 -1.314 7.240 7.011 1.00 0.84 N ATOM 778 CA GLN A 49 -2.024 7.167 5.773 1.00 0.80 C ATOM 779 C GLN A 49 -1.259 7.770 4.646 1.00 0.72 C ATOM 780 O GLN A 49 -0.980 8.968 4.623 1.00 0.83 O ATOM 781 CB GLN A 49 -3.443 7.746 5.912 1.00 1.03 C ATOM 782 CG GLN A 49 -4.408 7.383 4.782 1.00 1.67 C ATOM 783 CD GLN A 49 -5.745 8.095 4.928 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.724 7.561 5.445 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.760 9.372 4.459 1.00 2.48 N ATOM 0 H GLN A 49 -1.601 8.039 7.576 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.136 6.113 5.520 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.868 7.402 6.855 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.371 8.832 5.972 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.960 7.645 3.824 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.569 6.305 4.774 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.921 9.771 4.038 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.610 9.931 4.529 1.00 2.48 H new ATOM 794 N LEU A 50 -0.903 6.958 3.635 1.00 0.69 N ATOM 795 CA LEU A 50 0.060 7.300 2.633 1.00 0.66 C ATOM 796 C LEU A 50 -0.570 8.190 1.618 1.00 0.72 C ATOM 797 O LEU A 50 -1.793 8.317 1.583 1.00 0.90 O ATOM 798 CB LEU A 50 0.724 6.065 2.001 1.00 0.65 C ATOM 799 CG LEU A 50 1.253 4.997 2.973 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.017 3.881 2.239 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.057 5.692 4.084 1.00 0.74 C ATOM 0 H LEU A 50 -1.301 6.027 3.510 1.00 0.69 H new ATOM 0 HA LEU A 50 0.873 7.844 3.113 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.002 5.593 1.335 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.554 6.404 1.381 1.00 0.65 H new ATOM 0 HG LEU A 50 0.421 4.478 3.449 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.374 3.148 2.962 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.352 3.394 1.526 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.867 4.310 1.708 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.437 4.944 4.780 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.892 6.236 3.643 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.412 6.390 4.618 1.00 0.74 H new ATOM 813 N GLU A 51 0.287 8.858 0.826 1.00 0.70 N ATOM 814 CA GLU A 51 -0.060 9.713 -0.267 1.00 0.76 C ATOM 815 C GLU A 51 0.660 9.249 -1.487 1.00 0.77 C ATOM 816 O GLU A 51 1.848 8.939 -1.410 1.00 1.23 O ATOM 817 CB GLU A 51 0.182 11.202 0.032 1.00 0.88 C ATOM 818 CG GLU A 51 -0.750 12.105 -0.778 1.00 1.35 C ATOM 819 CD GLU A 51 -0.539 13.589 -0.514 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.596 14.114 -0.669 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.568 14.291 -0.331 1.00 1.89 O ATOM 0 H GLU A 51 1.296 8.795 0.960 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.134 9.641 -0.437 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.033 11.388 1.096 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.218 11.454 -0.194 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.601 11.908 -1.840 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.784 11.847 -0.548 1.00 1.35 H new ATOM 828 N ASP A 52 -0.123 9.062 -2.565 1.00 0.66 N ATOM 829 CA ASP A 52 0.221 8.533 -3.848 1.00 0.65 C ATOM 830 C ASP A 52 1.477 9.067 -4.446 1.00 0.60 C ATOM 831 O ASP A 52 2.338 8.306 -4.884 1.00 0.62 O ATOM 832 CB ASP A 52 -0.822 9.101 -4.825 1.00 0.81 C ATOM 833 CG ASP A 52 -2.193 8.687 -4.311 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.445 7.461 -4.455 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.888 9.507 -3.653 1.00 1.44 O ATOM 0 H ASP A 52 -1.111 9.312 -2.529 1.00 0.66 H new ATOM 0 HA ASP A 52 0.296 7.454 -3.711 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.744 10.187 -4.882 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.656 8.716 -5.831 1.00 0.81 H new ATOM 840 N GLY A 53 1.752 10.379 -4.557 1.00 0.68 N ATOM 841 CA GLY A 53 2.938 11.024 -5.027 1.00 0.73 C ATOM 842 C GLY A 53 3.994 11.201 -3.989 1.00 0.72 C ATOM 843 O GLY A 53 4.814 12.110 -4.102 1.00 0.97 O ATOM 0 H GLY A 53 1.053 11.069 -4.282 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.350 10.444 -5.852 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.671 12.002 -5.427 1.00 0.73 H new ATOM 847 N ARG A 54 4.061 10.480 -2.856 1.00 0.64 N ATOM 848 CA ARG A 54 5.196 10.493 -1.987 1.00 0.63 C ATOM 849 C ARG A 54 5.867 9.178 -2.180 1.00 0.59 C ATOM 850 O ARG A 54 5.215 8.196 -2.533 1.00 0.62 O ATOM 851 CB ARG A 54 4.790 10.761 -0.527 1.00 0.69 C ATOM 852 CG ARG A 54 4.136 12.124 -0.294 1.00 0.82 C ATOM 853 CD ARG A 54 4.909 13.350 -0.784 1.00 1.18 C ATOM 854 NE ARG A 54 6.213 13.302 -0.065 1.00 1.50 N ATOM 855 CZ ARG A 54 7.278 14.122 -0.304 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.422 14.900 -1.417 1.00 2.48 N ATOM 857 NH2 ARG A 54 8.250 14.320 0.635 1.00 2.49 N ATOM 0 H ARG A 54 3.307 9.872 -2.536 1.00 0.64 H new ATOM 0 HA ARG A 54 5.883 11.305 -2.226 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.100 9.981 -0.205 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.676 10.684 0.104 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.160 12.121 -0.780 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.959 12.238 0.776 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.053 13.319 -1.864 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.370 14.271 -0.561 1.00 1.18 H new ATOM 0 HE ARG A 54 6.319 12.599 0.666 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.703 14.893 -2.141 1.00 2.48 H new ATOM 0 HH12 ARG A 54 8.248 15.488 -1.525 1.00 2.48 H new ATOM 0 HH21 ARG A 54 8.190 13.850 1.538 1.00 2.49 H new ATOM 0 HH22 ARG A 54 9.036 14.938 0.433 1.00 2.49 H new ATOM 871 N THR A 55 7.211 9.216 -2.143 1.00 0.63 N ATOM 872 CA THR A 55 8.029 8.045 -2.221 1.00 0.61 C ATOM 873 C THR A 55 7.949 7.193 -1.002 1.00 0.59 C ATOM 874 O THR A 55 7.444 7.645 0.025 1.00 0.64 O ATOM 875 CB THR A 55 9.484 8.318 -2.465 1.00 0.68 C ATOM 876 OG1 THR A 55 9.921 9.343 -1.584 1.00 0.75 O ATOM 877 CG2 THR A 55 9.611 8.836 -3.906 1.00 0.76 C ATOM 0 H THR A 55 7.743 10.082 -2.057 1.00 0.63 H new ATOM 0 HA THR A 55 7.611 7.525 -3.083 1.00 0.61 H new ATOM 0 HB THR A 55 10.079 7.418 -2.306 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.759 9.070 -1.155 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.657 9.048 -4.126 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.241 8.080 -4.598 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.025 9.748 -4.018 1.00 0.76 H new ATOM 885 N LEU A 56 8.467 5.951 -0.995 1.00 0.58 N ATOM 886 CA LEU A 56 8.573 5.076 0.131 1.00 0.59 C ATOM 887 C LEU A 56 9.529 5.568 1.162 1.00 0.64 C ATOM 888 O LEU A 56 9.321 5.479 2.372 1.00 0.70 O ATOM 889 CB LEU A 56 8.957 3.637 -0.253 1.00 0.60 C ATOM 890 CG LEU A 56 7.831 2.651 -0.604 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.335 2.895 -2.039 1.00 1.05 C ATOM 892 CD2 LEU A 56 8.335 1.200 -0.509 1.00 1.03 C ATOM 0 H LEU A 56 8.840 5.527 -1.844 1.00 0.58 H new ATOM 0 HA LEU A 56 7.569 5.068 0.555 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.631 3.690 -1.108 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.525 3.212 0.575 1.00 0.60 H new ATOM 0 HG LEU A 56 7.018 2.808 0.105 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.538 2.189 -2.273 1.00 1.05 H new ATOM 0 HD12 LEU A 56 6.955 3.913 -2.125 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.160 2.756 -2.738 1.00 1.05 H new ATOM 0 HD21 LEU A 56 7.524 0.516 -0.761 1.00 1.03 H new ATOM 0 HD22 LEU A 56 9.161 1.055 -1.205 1.00 1.03 H new ATOM 0 HD23 LEU A 56 8.677 0.999 0.506 1.00 1.03 H new ATOM 904 N SER A 57 10.677 6.077 0.681 1.00 0.68 N ATOM 905 CA SER A 57 11.811 6.645 1.340 1.00 0.75 C ATOM 906 C SER A 57 11.428 7.735 2.282 1.00 0.76 C ATOM 907 O SER A 57 12.139 8.082 3.223 1.00 0.84 O ATOM 908 CB SER A 57 12.805 7.174 0.292 1.00 0.84 C ATOM 909 OG SER A 57 12.326 8.203 -0.561 1.00 1.19 O ATOM 0 H SER A 57 10.825 6.088 -0.328 1.00 0.68 H new ATOM 0 HA SER A 57 12.280 5.859 1.932 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.688 7.544 0.813 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.128 6.337 -0.328 1.00 0.84 H new ATOM 0 HG SER A 57 13.034 8.466 -1.185 1.00 1.19 H new ATOM 915 N ASP A 58 10.281 8.363 1.963 1.00 0.75 N ATOM 916 CA ASP A 58 9.678 9.376 2.770 1.00 0.78 C ATOM 917 C ASP A 58 8.967 8.925 3.999 1.00 0.77 C ATOM 918 O ASP A 58 9.143 9.343 5.143 1.00 0.86 O ATOM 919 CB ASP A 58 8.647 10.153 1.936 1.00 0.83 C ATOM 920 CG ASP A 58 8.368 11.589 2.356 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.377 12.195 2.805 1.00 1.90 O ATOM 922 OD2 ASP A 58 7.203 12.060 2.259 1.00 1.86 O ATOM 0 H ASP A 58 9.756 8.157 1.113 1.00 0.75 H new ATOM 0 HA ASP A 58 10.530 9.970 3.101 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.985 10.161 0.900 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.706 9.603 1.960 1.00 0.83 H new ATOM 927 N TYR A 59 8.060 7.948 3.820 1.00 0.72 N ATOM 928 CA TYR A 59 7.422 7.366 4.960 1.00 0.73 C ATOM 929 C TYR A 59 8.203 6.288 5.627 1.00 0.76 C ATOM 930 O TYR A 59 7.669 5.653 6.536 1.00 0.89 O ATOM 931 CB TYR A 59 6.187 6.649 4.389 1.00 0.73 C ATOM 932 CG TYR A 59 5.343 7.649 3.678 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.989 8.723 4.461 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.786 7.510 2.428 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.035 9.619 4.041 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.803 8.398 2.063 1.00 0.70 C ATOM 937 CZ TYR A 59 3.396 9.461 2.834 1.00 0.74 C ATOM 938 OH TYR A 59 2.395 10.366 2.417 1.00 0.86 O ATOM 0 H TYR A 59 7.775 7.570 2.917 1.00 0.72 H new ATOM 0 HA TYR A 59 7.252 8.158 5.689 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.492 5.857 3.705 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.619 6.177 5.191 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.467 8.864 5.419 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.110 6.729 1.756 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.783 10.461 4.669 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.319 8.251 1.109 1.00 0.70 H new ATOM 0 HH TYR A 59 2.392 10.423 1.439 1.00 0.86 H new ATOM 948 N ASN A 60 9.477 6.087 5.245 1.00 0.74 N ATOM 949 CA ASN A 60 10.362 5.064 5.709 1.00 0.79 C ATOM 950 C ASN A 60 9.867 3.660 5.770 1.00 0.75 C ATOM 951 O ASN A 60 9.754 2.992 6.797 1.00 0.86 O ATOM 952 CB ASN A 60 11.071 5.423 7.026 1.00 0.95 C ATOM 953 CG ASN A 60 12.291 4.558 7.308 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.066 4.318 6.384 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.452 4.213 8.614 1.00 1.83 N ATOM 0 H ASN A 60 9.923 6.691 4.555 1.00 0.74 H new ATOM 0 HA ASN A 60 11.071 5.055 4.881 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.376 6.469 6.993 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.365 5.322 7.850 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.284 3.702 8.908 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.740 4.466 9.300 1.00 1.83 H new ATOM 962 N ILE A 61 9.455 3.158 4.592 1.00 0.67 N ATOM 963 CA ILE A 61 8.949 1.836 4.392 1.00 0.65 C ATOM 964 C ILE A 61 10.139 1.040 3.977 1.00 0.66 C ATOM 965 O ILE A 61 10.792 1.441 3.014 1.00 0.75 O ATOM 966 CB ILE A 61 7.972 1.847 3.253 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.879 2.856 3.637 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.339 0.477 2.956 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.863 3.174 2.540 1.00 0.82 C ATOM 0 H ILE A 61 9.477 3.706 3.732 1.00 0.67 H new ATOM 0 HA ILE A 61 8.453 1.442 5.279 1.00 0.65 H new ATOM 0 HB ILE A 61 8.501 2.117 2.339 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.343 2.472 4.505 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.358 3.785 3.945 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.646 0.570 2.120 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.121 -0.238 2.700 1.00 0.72 H new ATOM 0 HG23 ILE A 61 6.801 0.126 3.837 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.137 3.895 2.915 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.379 3.594 1.677 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.348 2.260 2.245 1.00 0.82 H new ATOM 981 N GLN A 62 10.545 -0.048 4.654 1.00 0.67 N ATOM 982 CA GLN A 62 11.766 -0.720 4.337 1.00 0.70 C ATOM 983 C GLN A 62 11.533 -2.148 3.976 1.00 0.62 C ATOM 984 O GLN A 62 10.387 -2.480 3.681 1.00 0.64 O ATOM 985 CB GLN A 62 12.664 -0.611 5.580 1.00 0.85 C ATOM 986 CG GLN A 62 13.311 0.751 5.839 1.00 1.27 C ATOM 987 CD GLN A 62 14.077 0.871 7.149 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.128 1.505 7.221 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.557 0.254 8.244 1.00 2.16 N ATOM 0 H GLN A 62 10.024 -0.465 5.426 1.00 0.67 H new ATOM 0 HA GLN A 62 12.236 -0.261 3.468 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.070 -0.878 6.454 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.457 -1.354 5.494 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.992 0.973 5.018 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.532 1.513 5.822 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.684 -0.268 8.169 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.040 0.314 9.140 1.00 2.16 H new ATOM 998 N LYS A 63 12.546 -3.032 4.019 1.00 0.64 N ATOM 999 CA LYS A 63 12.260 -4.408 3.757 1.00 0.62 C ATOM 1000 C LYS A 63 11.284 -5.125 4.625 1.00 0.59 C ATOM 1001 O LYS A 63 11.312 -5.094 5.855 1.00 0.66 O ATOM 1002 CB LYS A 63 13.629 -5.096 3.894 1.00 0.74 C ATOM 1003 CG LYS A 63 13.734 -6.513 3.326 1.00 0.89 C ATOM 1004 CD LYS A 63 15.080 -7.189 3.596 1.00 1.11 C ATOM 1005 CE LYS A 63 15.210 -8.534 2.879 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.445 -9.179 3.380 1.00 2.12 N ATOM 0 H LYS A 63 13.520 -2.810 4.225 1.00 0.64 H new ATOM 0 HA LYS A 63 11.766 -4.447 2.786 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.376 -4.473 3.401 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.890 -5.131 4.952 1.00 0.74 H new ATOM 0 HG2 LYS A 63 12.939 -7.125 3.752 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.566 -6.476 2.250 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.886 -6.529 3.275 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.200 -7.339 4.669 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.341 -9.161 3.077 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.261 -8.391 1.800 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.569 -10.100 2.914 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.263 -8.572 3.170 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.371 -9.318 4.408 1.00 2.12 H new ATOM 1020 N GLU A 64 10.385 -5.912 4.009 1.00 0.57 N ATOM 1021 CA GLU A 64 9.450 -6.800 4.629 1.00 0.58 C ATOM 1022 C GLU A 64 8.427 -6.132 5.482 1.00 0.56 C ATOM 1023 O GLU A 64 8.010 -6.678 6.502 1.00 0.70 O ATOM 1024 CB GLU A 64 10.202 -8.001 5.225 1.00 0.72 C ATOM 1025 CG GLU A 64 10.809 -8.998 4.235 1.00 0.96 C ATOM 1026 CD GLU A 64 11.532 -10.052 5.060 1.00 1.18 C ATOM 1027 OE1 GLU A 64 10.732 -10.949 5.439 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.780 -10.062 5.230 1.00 1.69 O ATOM 0 H GLU A 64 10.306 -5.928 2.992 1.00 0.57 H new ATOM 0 HA GLU A 64 8.791 -7.216 3.867 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.004 -7.620 5.857 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.515 -8.543 5.874 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.033 -9.454 3.620 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.500 -8.497 3.557 1.00 0.96 H new ATOM 1035 N SER A 65 8.149 -4.854 5.168 1.00 0.51 N ATOM 1036 CA SER A 65 7.218 -3.973 5.804 1.00 0.51 C ATOM 1037 C SER A 65 5.787 -4.243 5.490 1.00 0.43 C ATOM 1038 O SER A 65 5.554 -4.535 4.318 1.00 0.50 O ATOM 1039 CB SER A 65 7.460 -2.484 5.505 1.00 0.65 C ATOM 1040 OG SER A 65 8.740 -2.083 5.974 1.00 1.04 O ATOM 0 H SER A 65 8.624 -4.394 4.392 1.00 0.51 H new ATOM 0 HA SER A 65 7.407 -4.185 6.856 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.387 -2.306 4.432 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.687 -1.881 5.981 1.00 0.65 H new ATOM 0 HG SER A 65 9.414 -2.271 5.288 1.00 1.04 H new ATOM 1046 N THR A 66 4.904 -4.186 6.503 1.00 0.45 N ATOM 1047 CA THR A 66 3.504 -4.476 6.431 1.00 0.45 C ATOM 1048 C THR A 66 2.640 -3.297 6.144 1.00 0.43 C ATOM 1049 O THR A 66 2.460 -2.475 7.042 1.00 0.58 O ATOM 1050 CB THR A 66 3.026 -5.151 7.682 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.721 -6.390 7.671 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.525 -5.483 7.616 1.00 0.78 C ATOM 0 H THR A 66 5.191 -3.917 7.444 1.00 0.45 H new ATOM 0 HA THR A 66 3.406 -5.147 5.578 1.00 0.45 H new ATOM 0 HB THR A 66 3.192 -4.521 8.556 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.473 -6.911 8.463 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.219 -5.971 8.542 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.954 -4.564 7.485 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.337 -6.150 6.775 1.00 0.78 H new ATOM 1060 N LEU A 67 2.101 -3.125 4.924 1.00 0.38 N ATOM 1061 CA LEU A 67 1.133 -2.096 4.707 1.00 0.38 C ATOM 1062 C LEU A 67 -0.257 -2.604 4.886 1.00 0.37 C ATOM 1063 O LEU A 67 -0.514 -3.702 4.393 1.00 0.50 O ATOM 1064 CB LEU A 67 1.308 -1.720 3.226 1.00 0.46 C ATOM 1065 CG LEU A 67 2.259 -0.545 2.943 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.748 -0.895 3.103 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.067 0.109 1.565 1.00 1.31 C ATOM 0 H LEU A 67 2.329 -3.686 4.103 1.00 0.38 H new ATOM 0 HA LEU A 67 1.276 -1.271 5.405 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.672 -2.596 2.689 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.328 -1.478 2.814 1.00 0.46 H new ATOM 0 HG LEU A 67 1.974 0.172 3.713 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.354 -0.015 2.887 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.937 -1.223 4.125 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.010 -1.695 2.411 1.00 1.40 H new ATOM 0 HD21 LEU A 67 2.777 0.928 1.449 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.236 -0.632 0.784 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.051 0.496 1.484 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.126 -1.970 5.691 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.454 -2.444 5.930 1.00 0.37 C ATOM 1081 C HIS A 68 -3.300 -1.674 4.975 1.00 0.35 C ATOM 1082 O HIS A 68 -3.519 -0.467 5.065 1.00 0.48 O ATOM 1083 CB HIS A 68 -3.058 -2.181 7.318 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.588 -3.181 8.332 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.337 -3.739 8.500 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -3.312 -3.598 9.406 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.389 -4.516 9.615 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -2.569 -4.444 10.204 1.00 1.51 N ATOM 0 H HIS A 68 -0.902 -1.108 6.188 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.420 -3.529 5.828 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.789 -1.177 7.647 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -4.146 -2.214 7.253 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -4.332 -3.306 9.607 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.567 -5.117 9.974 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -2.866 -4.911 11.061 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.924 -2.349 3.992 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.725 -1.750 2.970 1.00 0.38 C ATOM 1098 C LEU A 69 -6.132 -1.757 3.462 1.00 0.41 C ATOM 1099 O LEU A 69 -6.668 -2.857 3.592 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.582 -2.555 1.668 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.483 -2.310 0.446 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.481 -0.854 -0.051 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.010 -3.137 -0.761 1.00 1.14 C ATOM 0 H LEU A 69 -3.866 -3.364 3.907 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.411 -0.728 2.757 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.554 -2.423 1.330 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.697 -3.605 1.936 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.478 -2.587 0.794 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.140 -0.763 -0.914 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.833 -0.197 0.745 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.468 -0.568 -0.336 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.664 -2.946 -1.612 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -3.989 -2.855 -1.017 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.042 -4.197 -0.510 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.735 -0.561 3.573 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.108 -0.375 3.927 1.00 0.56 C ATOM 1117 C VAL A 70 -8.802 0.061 2.682 1.00 0.55 C ATOM 1118 O VAL A 70 -8.170 0.537 1.740 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.131 0.701 4.972 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.543 0.977 5.515 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.189 0.312 6.124 1.00 0.97 C ATOM 0 H VAL A 70 -6.243 0.317 3.408 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.594 -1.268 4.319 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.792 1.623 4.499 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.496 1.764 6.267 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.191 1.294 4.698 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.944 0.069 5.965 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.204 1.092 6.885 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.520 -0.629 6.563 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.175 0.197 5.742 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.115 -0.212 2.587 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.779 0.293 1.426 1.00 0.84 C ATOM 1133 C LEU A 71 -11.400 1.580 1.848 1.00 0.85 C ATOM 1134 O LEU A 71 -11.985 1.691 2.924 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.880 -0.712 1.048 1.00 1.26 C ATOM 1136 CG LEU A 71 -12.610 -0.366 -0.261 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.691 -0.823 -1.406 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -13.900 -1.199 -0.368 1.00 2.78 C ATOM 0 H LEU A 71 -10.680 -0.738 3.253 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.111 0.436 0.577 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.438 -1.704 0.956 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.608 -0.761 1.858 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.844 0.698 -0.298 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.163 -0.600 -2.363 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.739 -0.297 -1.340 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.519 -1.896 -1.328 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -14.416 -0.953 -1.296 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -13.650 -2.260 -0.363 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -14.549 -0.975 0.479 1.00 2.78 H new