USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 22 THR OG1 : rot -59:sc= 0.412 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0654 K(o=0.48,f=-4.1!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 150:sc= 1.11 (180deg=-0.114) USER MOD Set 2.2: A 12 THR OG1 : rot 176:sc= 0.948 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc=-0.00517 (180deg=-0.156) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.2 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.2!) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.679 (180deg=-0.337!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=4.85e-05 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ -102:sc= 1.3 (180deg=-0.809) USER MOD Single : A 31 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0114 K(o=-0.011,f=-0.97) USER MOD Single : A 41 GLN : amide:sc= 0.269 K(o=0.27,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.43 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 51:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.425 X(o=-0.42,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.534 -7.324 -4.840 1.00 9.67 N ATOM 2 CA MET A 1 11.423 -7.608 -3.378 1.00 10.38 C ATOM 3 C MET A 1 9.988 -7.966 -2.932 1.00 9.62 C ATOM 4 O MET A 1 9.012 -7.553 -3.560 1.00 9.62 O ATOM 5 CB MET A 1 12.069 -6.466 -2.562 1.00 13.77 C ATOM 6 CG MET A 1 11.416 -5.110 -2.773 1.00 16.29 C ATOM 7 SD MET A 1 12.072 -3.786 -1.794 1.00 17.17 S ATOM 8 CE MET A 1 10.563 -2.785 -1.586 1.00 16.11 C ATOM 0 H1 MET A 1 12.505 -7.025 -5.063 1.00 9.67 H new ATOM 0 H2 MET A 1 11.304 -8.183 -5.379 1.00 9.67 H new ATOM 0 H3 MET A 1 10.871 -6.566 -5.098 1.00 9.67 H new ATOM 0 HA MET A 1 11.990 -8.515 -3.167 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.023 -6.719 -1.503 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.124 -6.395 -2.827 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.509 -4.841 -3.825 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.351 -5.202 -2.561 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.835 -1.780 -1.263 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.029 -2.730 -2.535 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.921 -3.246 -0.835 1.00 16.11 H new ATOM 20 N GLN A 2 9.871 -8.766 -1.879 1.00 9.27 N ATOM 21 CA GLN A 2 8.601 -9.187 -1.241 1.00 9.07 C ATOM 22 C GLN A 2 8.194 -8.251 -0.068 1.00 8.72 C ATOM 23 O GLN A 2 8.940 -8.132 0.918 1.00 8.22 O ATOM 24 CB GLN A 2 8.904 -10.508 -0.683 1.00 14.46 C ATOM 25 CG GLN A 2 7.728 -11.294 -0.132 1.00 17.01 C ATOM 26 CD GLN A 2 7.996 -12.821 0.029 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.904 -13.407 1.096 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.264 -13.419 -1.136 1.00 19.49 N ATOM 0 H GLN A 2 10.688 -9.164 -1.416 1.00 9.27 H new ATOM 0 HA GLN A 2 7.782 -9.171 -1.961 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.381 -11.106 -1.460 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.635 -10.382 0.116 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.453 -10.881 0.838 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.872 -11.155 -0.792 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.326 -12.866 -1.991 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.406 -14.428 -1.170 1.00 19.49 H new ATOM 37 N ILE A 3 7.027 -7.571 -0.106 1.00 5.87 N ATOM 38 CA ILE A 3 6.525 -6.918 1.089 1.00 5.07 C ATOM 39 C ILE A 3 5.146 -7.438 1.450 1.00 4.01 C ATOM 40 O ILE A 3 4.472 -8.121 0.655 1.00 4.61 O ATOM 41 CB ILE A 3 6.503 -5.375 0.806 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.484 -4.952 -0.225 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.929 -4.907 0.424 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.235 -3.424 -0.423 1.00 10.83 C ATOM 0 H ILE A 3 6.440 -7.470 -0.934 1.00 5.87 H new ATOM 0 HA ILE A 3 7.168 -7.131 1.943 1.00 5.07 H new ATOM 0 HB ILE A 3 6.184 -4.883 1.725 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.788 -5.368 -1.185 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.532 -5.415 0.036 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.919 -3.835 0.226 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.614 -5.118 1.245 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.259 -5.438 -0.469 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.479 -3.275 -1.194 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.888 -2.987 0.514 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.163 -2.940 -0.727 1.00 10.83 H new ATOM 56 N PHE A 4 4.752 -7.158 2.726 1.00 4.55 N ATOM 57 CA PHE A 4 3.566 -7.683 3.364 1.00 4.68 C ATOM 58 C PHE A 4 2.542 -6.592 3.718 1.00 5.30 C ATOM 59 O PHE A 4 2.830 -5.670 4.495 1.00 5.58 O ATOM 60 CB PHE A 4 3.992 -8.489 4.639 1.00 4.83 C ATOM 61 CG PHE A 4 5.009 -9.533 4.295 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.804 -10.398 3.211 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.186 -9.609 5.002 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.756 -11.444 2.940 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.148 -10.560 4.730 1.00 10.61 C ATOM 66 CZ PHE A 4 7.013 -11.390 3.587 1.00 8.90 C ATOM 0 H PHE A 4 5.286 -6.539 3.335 1.00 4.55 H new ATOM 0 HA PHE A 4 3.064 -8.341 2.655 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.402 -7.808 5.385 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.117 -8.961 5.085 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.935 -10.280 2.581 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.363 -8.900 5.797 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.517 -12.249 2.261 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.000 -10.672 5.384 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.849 -11.966 3.220 1.00 8.90 H new ATOM 76 N VAL A 5 1.292 -6.709 3.239 1.00 4.44 N ATOM 77 CA VAL A 5 0.218 -5.779 3.517 1.00 3.87 C ATOM 78 C VAL A 5 -0.853 -6.424 4.390 1.00 4.93 C ATOM 79 O VAL A 5 -1.454 -7.404 4.010 1.00 6.84 O ATOM 80 CB VAL A 5 -0.403 -5.256 2.205 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.523 -4.248 2.596 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.673 -4.625 1.343 1.00 9.13 C ATOM 0 H VAL A 5 1.007 -7.478 2.633 1.00 4.44 H new ATOM 0 HA VAL A 5 0.640 -4.935 4.063 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.839 -6.061 1.613 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.989 -3.854 1.693 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.275 -4.756 3.200 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.090 -3.428 3.169 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.229 -4.257 0.418 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.130 -3.795 1.881 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.435 -5.369 1.109 1.00 9.13 H new ATOM 92 N LYS A 6 -1.093 -5.799 5.531 1.00 6.04 N ATOM 93 CA LYS A 6 -2.101 -6.286 6.455 1.00 6.12 C ATOM 94 C LYS A 6 -3.441 -5.499 6.318 1.00 6.57 C ATOM 95 O LYS A 6 -3.463 -4.251 6.376 1.00 5.76 O ATOM 96 CB LYS A 6 -1.520 -6.193 7.837 1.00 7.45 C ATOM 97 CG LYS A 6 -0.259 -7.059 8.100 1.00 11.12 C ATOM 98 CD LYS A 6 -0.411 -8.612 8.039 1.00 14.54 C ATOM 99 CE LYS A 6 0.986 -9.237 8.009 1.00 18.84 C ATOM 100 NZ LYS A 6 1.035 -10.684 7.862 1.00 20.55 N ATOM 0 H LYS A 6 -0.605 -4.957 5.838 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.356 -7.322 6.230 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.270 -5.151 8.036 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.290 -6.479 8.554 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.502 -6.769 7.376 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.125 -6.799 9.087 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.968 -8.972 8.904 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.975 -8.903 7.153 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.545 -8.789 7.187 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.503 -8.968 8.930 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.907 -10.953 7.363 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.023 -11.129 8.802 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.210 -11.006 7.316 1.00 20.55 H new ATOM 114 N THR A 7 -4.638 -6.102 6.021 1.00 7.41 N ATOM 115 CA THR A 7 -5.868 -5.375 5.877 1.00 7.48 C ATOM 116 C THR A 7 -6.546 -5.483 7.282 1.00 8.75 C ATOM 117 O THR A 7 -6.096 -6.189 8.149 1.00 8.58 O ATOM 118 CB THR A 7 -6.717 -5.939 4.729 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.440 -7.058 5.181 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.812 -6.401 3.577 1.00 9.17 C ATOM 0 H THR A 7 -4.737 -7.108 5.882 1.00 7.41 H new ATOM 0 HA THR A 7 -5.724 -4.331 5.599 1.00 7.48 H new ATOM 0 HB THR A 7 -7.393 -5.155 4.386 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.982 -7.415 4.447 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.426 -6.799 2.769 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.231 -5.555 3.209 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.135 -7.177 3.935 1.00 9.17 H new ATOM 128 N LEU A 8 -7.667 -4.707 7.466 1.00 9.84 N ATOM 129 CA LEU A 8 -8.427 -4.630 8.716 1.00 14.15 C ATOM 130 C LEU A 8 -9.186 -5.948 9.113 1.00 17.37 C ATOM 131 O LEU A 8 -9.200 -6.324 10.237 1.00 17.01 O ATOM 132 CB LEU A 8 -9.444 -3.486 8.603 1.00 16.63 C ATOM 133 CG LEU A 8 -8.685 -2.142 8.402 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.568 -0.894 8.188 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.678 -1.841 9.596 1.00 18.59 C ATOM 0 H LEU A 8 -8.053 -4.119 6.727 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.694 -4.460 9.505 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.119 -3.665 7.766 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.058 -3.439 9.502 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.148 -2.311 7.469 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.934 -0.017 8.059 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.182 -1.031 7.298 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.213 -0.751 9.055 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.170 -0.894 9.414 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.232 -1.782 10.533 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.941 -2.641 9.661 1.00 18.59 H new ATOM 147 N THR A 9 -9.658 -6.701 8.126 1.00 18.33 N ATOM 148 CA THR A 9 -10.090 -8.085 8.238 1.00 19.24 C ATOM 149 C THR A 9 -8.978 -9.071 8.495 1.00 19.48 C ATOM 150 O THR A 9 -9.193 -10.179 8.972 1.00 23.14 O ATOM 151 CB THR A 9 -10.932 -8.688 7.153 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.410 -8.413 5.863 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.302 -8.012 7.246 1.00 19.70 C ATOM 0 H THR A 9 -9.754 -6.341 7.176 1.00 18.33 H new ATOM 0 HA THR A 9 -10.739 -7.942 9.102 1.00 19.24 H new ATOM 0 HB THR A 9 -10.968 -9.770 7.284 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.985 -8.823 5.183 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.959 -8.415 6.475 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.735 -8.202 8.228 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.188 -6.938 7.101 1.00 19.70 H new ATOM 161 N GLY A 10 -7.735 -8.618 8.266 1.00 19.43 N ATOM 162 CA GLY A 10 -6.571 -9.334 8.761 1.00 18.74 C ATOM 163 C GLY A 10 -5.914 -10.090 7.626 1.00 17.62 C ATOM 164 O GLY A 10 -4.928 -10.866 7.797 1.00 19.74 O ATOM 0 H GLY A 10 -7.522 -7.767 7.746 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.862 -8.633 9.202 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.867 -10.027 9.549 1.00 18.74 H new ATOM 168 N LYS A 11 -6.455 -9.998 6.387 1.00 13.56 N ATOM 169 CA LYS A 11 -5.814 -10.558 5.224 1.00 11.91 C ATOM 170 C LYS A 11 -4.362 -10.169 4.998 1.00 10.18 C ATOM 171 O LYS A 11 -4.034 -8.978 5.073 1.00 9.10 O ATOM 172 CB LYS A 11 -6.589 -10.242 3.958 1.00 13.43 C ATOM 173 CG LYS A 11 -6.671 -11.301 2.848 1.00 16.69 C ATOM 174 CD LYS A 11 -7.698 -10.871 1.837 1.00 17.92 C ATOM 175 CE LYS A 11 -8.132 -12.072 0.961 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.187 -12.297 -0.166 1.00 21.93 N ATOM 0 H LYS A 11 -7.341 -9.533 6.191 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.814 -11.626 5.444 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.609 -9.993 4.251 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.154 -9.342 3.522 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.699 -11.421 2.370 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.940 -12.269 3.270 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.566 -10.453 2.347 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.288 -10.082 1.206 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.187 -12.971 1.576 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.133 -11.893 0.568 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.133 -13.314 -0.376 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.523 -11.787 -1.008 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.244 -11.947 0.097 1.00 21.93 H new ATOM 190 N THR A 12 -3.506 -11.165 4.676 1.00 9.63 N ATOM 191 CA THR A 12 -2.121 -10.902 4.454 1.00 9.85 C ATOM 192 C THR A 12 -2.027 -10.880 2.940 1.00 11.66 C ATOM 193 O THR A 12 -2.042 -11.927 2.265 1.00 12.33 O ATOM 194 CB THR A 12 -1.103 -11.887 4.973 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.036 -11.960 6.406 1.00 10.91 O ATOM 196 CG2 THR A 12 0.306 -11.506 4.449 1.00 9.63 C ATOM 0 H THR A 12 -3.776 -12.143 4.571 1.00 9.63 H new ATOM 0 HA THR A 12 -1.864 -9.996 5.003 1.00 9.85 H new ATOM 0 HB THR A 12 -1.426 -12.863 4.610 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.405 -12.662 6.669 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.039 -12.219 4.825 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.307 -11.526 3.359 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.564 -10.505 4.794 1.00 9.63 H new ATOM 204 N ILE A 13 -1.753 -9.696 2.321 1.00 10.42 N ATOM 205 CA ILE A 13 -1.511 -9.548 0.870 1.00 11.84 C ATOM 206 C ILE A 13 0.028 -9.506 0.782 1.00 10.55 C ATOM 207 O ILE A 13 0.736 -8.784 1.475 1.00 11.92 O ATOM 208 CB ILE A 13 -2.237 -8.333 0.173 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.729 -8.289 0.587 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.017 -8.552 -1.325 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.415 -6.964 0.205 1.00 16.46 C ATOM 0 H ILE A 13 -1.695 -8.813 2.828 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.951 -10.368 0.302 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.842 -7.361 0.470 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.257 -9.116 0.113 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.807 -8.436 1.664 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.493 -7.747 -1.884 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.948 -8.560 -1.538 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.453 -9.506 -1.621 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.458 -6.991 0.520 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.908 -6.136 0.700 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.365 -6.827 -0.875 1.00 16.46 H new ATOM 223 N THR A 14 0.600 -10.380 -0.095 1.00 9.39 N ATOM 224 CA THR A 14 2.015 -10.499 -0.268 1.00 9.63 C ATOM 225 C THR A 14 2.225 -9.937 -1.728 1.00 11.20 C ATOM 226 O THR A 14 1.553 -10.324 -2.687 1.00 11.63 O ATOM 227 CB THR A 14 2.451 -11.957 -0.244 1.00 10.38 C ATOM 228 OG1 THR A 14 2.339 -12.579 1.043 1.00 16.30 O ATOM 229 CG2 THR A 14 3.910 -12.156 -0.496 1.00 11.66 C ATOM 0 H THR A 14 0.060 -11.010 -0.689 1.00 9.39 H new ATOM 0 HA THR A 14 2.578 -9.986 0.511 1.00 9.63 H new ATOM 0 HB THR A 14 1.796 -12.376 -1.008 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.634 -13.512 0.982 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.143 -13.220 -0.463 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.167 -11.759 -1.478 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.486 -11.635 0.269 1.00 11.66 H new ATOM 237 N LEU A 15 3.149 -8.981 -1.887 1.00 8.29 N ATOM 238 CA LEU A 15 3.296 -8.290 -3.172 1.00 9.03 C ATOM 239 C LEU A 15 4.746 -8.331 -3.637 1.00 8.59 C ATOM 240 O LEU A 15 5.620 -7.734 -2.985 1.00 7.79 O ATOM 241 CB LEU A 15 2.980 -6.835 -2.953 1.00 11.08 C ATOM 242 CG LEU A 15 1.569 -6.600 -2.312 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.467 -5.062 -2.226 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.461 -7.126 -3.288 1.00 15.27 C ATOM 0 H LEU A 15 3.793 -8.674 -1.158 1.00 8.29 H new ATOM 0 HA LEU A 15 2.642 -8.767 -3.902 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.742 -6.397 -2.309 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.030 -6.311 -3.908 1.00 11.08 H new ATOM 0 HG LEU A 15 1.444 -7.102 -1.353 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.508 -4.785 -1.787 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.275 -4.678 -1.604 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.545 -4.636 -3.226 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.521 -6.964 -2.845 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.525 -6.589 -4.234 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.608 -8.192 -3.465 1.00 15.27 H new ATOM 256 N GLU A 16 5.100 -8.881 -4.804 1.00 11.04 N ATOM 257 CA GLU A 16 6.430 -8.552 -5.325 1.00 11.50 C ATOM 258 C GLU A 16 6.417 -7.136 -5.964 1.00 10.13 C ATOM 259 O GLU A 16 5.626 -6.839 -6.809 1.00 9.83 O ATOM 260 CB GLU A 16 6.918 -9.639 -6.316 1.00 17.22 C ATOM 261 CG GLU A 16 8.244 -9.345 -7.071 1.00 23.33 C ATOM 262 CD GLU A 16 9.532 -9.905 -6.535 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.640 -11.127 -6.246 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.427 -9.071 -6.320 1.00 28.90 O ATOM 0 H GLU A 16 4.532 -9.511 -5.371 1.00 11.04 H new ATOM 0 HA GLU A 16 7.143 -8.535 -4.500 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.038 -10.572 -5.766 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.134 -9.803 -7.055 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.128 -9.708 -8.092 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.356 -8.262 -7.129 1.00 23.33 H new ATOM 271 N VAL A 17 7.298 -6.283 -5.487 1.00 8.99 N ATOM 272 CA VAL A 17 7.411 -4.964 -5.916 1.00 8.85 C ATOM 273 C VAL A 17 8.904 -4.710 -6.032 1.00 8.04 C ATOM 274 O VAL A 17 9.725 -5.523 -5.654 1.00 8.99 O ATOM 275 CB VAL A 17 6.887 -4.066 -4.763 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.357 -4.045 -4.589 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.556 -4.455 -3.433 1.00 10.54 C ATOM 0 H VAL A 17 7.969 -6.531 -4.760 1.00 8.99 H new ATOM 0 HA VAL A 17 6.873 -4.771 -6.844 1.00 8.85 H new ATOM 0 HB VAL A 17 7.161 -3.052 -5.054 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.094 -3.389 -3.759 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.892 -3.677 -5.503 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.001 -5.054 -4.381 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.178 -3.816 -2.635 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.329 -5.496 -3.203 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.635 -4.329 -3.518 1.00 10.54 H new ATOM 287 N GLU A 18 9.352 -3.510 -6.404 1.00 7.29 N ATOM 288 CA GLU A 18 10.701 -3.092 -6.402 1.00 7.08 C ATOM 289 C GLU A 18 10.759 -1.773 -5.684 1.00 6.45 C ATOM 290 O GLU A 18 9.715 -1.131 -5.556 1.00 5.28 O ATOM 291 CB GLU A 18 11.220 -2.707 -7.850 1.00 10.28 C ATOM 292 CG GLU A 18 11.635 -3.947 -8.755 1.00 12.65 C ATOM 293 CD GLU A 18 12.752 -4.768 -8.082 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.944 -4.319 -8.139 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.541 -5.824 -7.421 1.00 18.17 O ATOM 0 H GLU A 18 8.720 -2.779 -6.730 1.00 7.29 H new ATOM 0 HA GLU A 18 11.283 -3.906 -5.971 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.441 -2.144 -8.363 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.079 -2.044 -7.749 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.766 -4.582 -8.930 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.974 -3.594 -9.729 1.00 12.65 H new ATOM 302 N PRO A 19 11.867 -1.399 -5.064 1.00 7.24 N ATOM 303 CA PRO A 19 11.879 -0.214 -4.216 1.00 7.07 C ATOM 304 C PRO A 19 11.578 1.125 -4.916 1.00 6.65 C ATOM 305 O PRO A 19 11.184 2.052 -4.224 1.00 6.37 O ATOM 306 CB PRO A 19 13.304 -0.210 -3.603 1.00 7.61 C ATOM 307 CG PRO A 19 14.189 -1.281 -4.397 1.00 8.16 C ATOM 308 CD PRO A 19 13.111 -2.101 -4.976 1.00 7.49 C ATOM 0 HA PRO A 19 11.069 -0.280 -3.490 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.748 0.782 -3.679 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.263 -0.461 -2.543 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.821 -0.822 -5.157 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.844 -1.853 -3.740 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.407 -2.432 -5.971 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.976 -2.996 -4.369 1.00 7.49 H new ATOM 316 N SER A 20 11.786 1.227 -6.249 1.00 6.80 N ATOM 317 CA SER A 20 11.463 2.362 -7.041 1.00 6.28 C ATOM 318 C SER A 20 10.037 2.283 -7.619 1.00 8.45 C ATOM 319 O SER A 20 9.679 3.047 -8.517 1.00 7.26 O ATOM 320 CB SER A 20 12.464 2.563 -8.193 1.00 8.57 C ATOM 321 OG SER A 20 12.837 1.375 -8.905 1.00 11.13 O ATOM 0 H SER A 20 12.202 0.471 -6.793 1.00 6.80 H new ATOM 0 HA SER A 20 11.520 3.217 -6.368 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.036 3.271 -8.903 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.367 3.022 -7.790 1.00 8.57 H new ATOM 0 HG SER A 20 13.472 1.605 -9.615 1.00 11.13 H new ATOM 327 N ASP A 21 9.118 1.397 -7.083 1.00 7.50 N ATOM 328 CA ASP A 21 7.723 1.472 -7.459 1.00 7.70 C ATOM 329 C ASP A 21 7.009 2.487 -6.599 1.00 7.08 C ATOM 330 O ASP A 21 7.470 2.746 -5.488 1.00 8.11 O ATOM 331 CB ASP A 21 7.053 0.154 -7.220 1.00 11.00 C ATOM 332 CG ASP A 21 7.581 -0.913 -8.154 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.087 -0.580 -9.221 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.450 -2.150 -7.833 1.00 14.36 O ATOM 0 H ASP A 21 9.345 0.661 -6.415 1.00 7.50 H new ATOM 0 HA ASP A 21 7.676 1.748 -8.512 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.212 -0.154 -6.187 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.977 0.261 -7.359 1.00 11.00 H new ATOM 339 N THR A 22 5.988 3.159 -7.118 1.00 5.37 N ATOM 340 CA THR A 22 5.213 4.166 -6.381 1.00 6.01 C ATOM 341 C THR A 22 4.171 3.535 -5.474 1.00 8.01 C ATOM 342 O THR A 22 3.797 2.448 -5.708 1.00 8.11 O ATOM 343 CB THR A 22 4.585 5.203 -7.230 1.00 8.92 C ATOM 344 OG1 THR A 22 3.643 4.783 -8.184 1.00 10.22 O ATOM 345 CG2 THR A 22 5.697 5.826 -8.115 1.00 9.65 C ATOM 0 H THR A 22 5.666 3.022 -8.076 1.00 5.37 H new ATOM 0 HA THR A 22 5.957 4.677 -5.770 1.00 6.01 H new ATOM 0 HB THR A 22 4.081 5.844 -6.506 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.064 4.149 -8.802 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.265 6.596 -8.754 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.462 6.270 -7.479 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.146 5.050 -8.735 1.00 9.65 H new ATOM 353 N ILE A 23 3.650 4.315 -4.556 1.00 8.32 N ATOM 354 CA ILE A 23 2.546 3.866 -3.711 1.00 9.92 C ATOM 355 C ILE A 23 1.279 3.737 -4.579 1.00 10.01 C ATOM 356 O ILE A 23 0.449 2.835 -4.312 1.00 8.71 O ATOM 357 CB ILE A 23 2.326 4.818 -2.497 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.597 5.108 -1.665 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.100 4.431 -1.636 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.167 3.934 -0.945 1.00 12.30 C ATOM 0 H ILE A 23 3.967 5.266 -4.368 1.00 8.32 H new ATOM 0 HA ILE A 23 2.788 2.891 -3.288 1.00 9.92 H new ATOM 0 HB ILE A 23 2.082 5.780 -2.948 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.361 5.513 -2.328 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.365 5.884 -0.935 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.001 5.132 -0.807 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.199 4.465 -2.249 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.234 3.423 -1.244 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.054 4.242 -0.392 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.426 3.538 -0.250 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.438 3.162 -1.665 1.00 12.30 H new ATOM 372 N GLU A 24 1.124 4.486 -5.702 1.00 9.54 N ATOM 373 CA GLU A 24 0.008 4.210 -6.656 1.00 11.81 C ATOM 374 C GLU A 24 0.212 2.937 -7.465 1.00 11.14 C ATOM 375 O GLU A 24 -0.733 2.223 -7.852 1.00 10.62 O ATOM 376 CB GLU A 24 -0.230 5.463 -7.570 1.00 19.24 C ATOM 377 CG GLU A 24 -1.721 5.538 -7.924 1.00 27.76 C ATOM 378 CD GLU A 24 -2.001 6.908 -8.586 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.398 7.235 -9.677 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.806 7.700 -7.948 1.00 34.80 O ATOM 0 H GLU A 24 1.733 5.261 -5.967 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.892 4.029 -6.069 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.082 6.371 -7.055 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.370 5.389 -8.477 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.990 4.728 -8.602 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.329 5.419 -7.027 1.00 27.76 H new ATOM 387 N ASN A 25 1.511 2.592 -7.743 1.00 9.43 N ATOM 388 CA ASN A 25 1.838 1.234 -8.224 1.00 10.96 C ATOM 389 C ASN A 25 1.367 0.126 -7.250 1.00 9.68 C ATOM 390 O ASN A 25 0.820 -0.846 -7.602 1.00 9.33 O ATOM 391 CB ASN A 25 3.321 0.998 -8.659 1.00 16.78 C ATOM 392 CG ASN A 25 3.675 1.877 -9.852 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.753 2.493 -9.845 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.917 1.791 -10.957 1.00 24.70 N ATOM 0 H ASN A 25 2.310 3.218 -7.643 1.00 9.43 H new ATOM 0 HA ASN A 25 1.261 1.162 -9.146 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.989 1.218 -7.827 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.468 -0.051 -8.917 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.222 2.239 -11.821 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.036 1.278 -10.932 1.00 24.70 H new ATOM 401 N VAL A 26 1.623 0.341 -5.937 1.00 6.52 N ATOM 402 CA VAL A 26 1.131 -0.581 -4.912 1.00 5.53 C ATOM 403 C VAL A 26 -0.386 -0.799 -4.954 1.00 4.42 C ATOM 404 O VAL A 26 -0.837 -1.951 -4.925 1.00 3.40 O ATOM 405 CB VAL A 26 1.608 -0.225 -3.494 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.060 -1.251 -2.437 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.133 -0.270 -3.455 1.00 8.12 C ATOM 0 H VAL A 26 2.158 1.132 -5.578 1.00 6.52 H new ATOM 0 HA VAL A 26 1.587 -1.537 -5.170 1.00 5.53 H new ATOM 0 HB VAL A 26 1.237 0.771 -3.250 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.413 -0.974 -1.444 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.030 -1.240 -2.450 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.416 -2.252 -2.683 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.479 -0.019 -2.452 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.474 -1.272 -3.716 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.537 0.448 -4.169 1.00 8.12 H new ATOM 417 N LYS A 27 -1.146 0.307 -5.061 1.00 2.64 N ATOM 418 CA LYS A 27 -2.625 0.440 -5.033 1.00 4.14 C ATOM 419 C LYS A 27 -3.174 -0.319 -6.275 1.00 5.58 C ATOM 420 O LYS A 27 -4.188 -0.998 -6.179 1.00 4.11 O ATOM 421 CB LYS A 27 -3.201 1.815 -4.857 1.00 3.97 C ATOM 422 CG LYS A 27 -2.766 2.532 -3.562 1.00 7.45 C ATOM 423 CD LYS A 27 -3.206 4.047 -3.463 1.00 9.02 C ATOM 424 CE LYS A 27 -3.332 4.521 -2.037 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.996 5.851 -1.963 1.00 15.47 N ATOM 0 H LYS A 27 -0.704 1.219 -5.181 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.970 -0.010 -4.102 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.912 2.428 -5.711 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.289 1.744 -4.870 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.177 1.992 -2.709 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.680 2.477 -3.480 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.478 4.668 -3.986 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.161 4.178 -3.972 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.904 3.795 -1.460 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.343 4.581 -1.583 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.844 6.263 -1.020 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.592 6.481 -2.685 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.016 5.740 -2.132 1.00 15.47 H new ATOM 439 N ALA A 28 -2.517 -0.261 -7.458 1.00 6.61 N ATOM 440 CA ALA A 28 -2.940 -0.877 -8.639 1.00 7.74 C ATOM 441 C ALA A 28 -2.700 -2.446 -8.502 1.00 9.17 C ATOM 442 O ALA A 28 -3.602 -3.226 -8.631 1.00 11.45 O ATOM 443 CB ALA A 28 -2.339 -0.259 -9.910 1.00 7.68 C ATOM 0 H ALA A 28 -1.642 0.252 -7.570 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.007 -0.698 -8.770 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.714 -0.790 -10.785 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.623 0.791 -9.973 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.253 -0.339 -9.875 1.00 7.68 H new ATOM 449 N LYS A 29 -1.487 -2.822 -8.085 1.00 8.96 N ATOM 450 CA LYS A 29 -1.181 -4.249 -7.818 1.00 7.90 C ATOM 451 C LYS A 29 -2.180 -4.961 -6.880 1.00 6.92 C ATOM 452 O LYS A 29 -2.630 -6.076 -7.142 1.00 6.87 O ATOM 453 CB LYS A 29 0.265 -4.327 -7.271 1.00 10.28 C ATOM 454 CG LYS A 29 0.757 -5.837 -7.213 1.00 14.94 C ATOM 455 CD LYS A 29 2.272 -6.045 -7.347 1.00 19.69 C ATOM 456 CE LYS A 29 2.806 -5.818 -8.773 1.00 22.63 C ATOM 457 NZ LYS A 29 4.271 -6.020 -8.902 1.00 24.98 N ATOM 0 H LYS A 29 -0.710 -2.181 -7.925 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.279 -4.791 -8.758 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.932 -3.745 -7.906 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.308 -3.886 -6.275 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.431 -6.271 -6.268 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.260 -6.393 -8.008 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.784 -5.367 -6.665 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.519 -7.059 -7.033 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.293 -6.496 -9.455 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.559 -4.804 -9.086 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.748 -5.096 -8.929 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.619 -6.566 -8.088 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.474 -6.540 -9.780 1.00 24.98 H new ATOM 471 N ILE A 30 -2.522 -4.321 -5.711 1.00 4.57 N ATOM 472 CA ILE A 30 -3.535 -4.834 -4.808 1.00 5.58 C ATOM 473 C ILE A 30 -4.918 -4.932 -5.403 1.00 7.26 C ATOM 474 O ILE A 30 -5.648 -5.906 -5.173 1.00 9.46 O ATOM 475 CB ILE A 30 -3.556 -4.102 -3.482 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.225 -4.419 -2.774 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.818 -4.366 -2.612 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.187 -3.556 -1.509 1.00 2.00 C ATOM 0 H ILE A 30 -2.092 -3.450 -5.400 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.226 -5.862 -4.620 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.639 -3.030 -3.661 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.162 -5.478 -2.523 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.378 -4.194 -3.422 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.744 -3.801 -1.683 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.708 -4.053 -3.158 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.887 -5.430 -2.385 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.259 -3.744 -0.968 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.239 -2.503 -1.785 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.035 -3.806 -0.872 1.00 2.00 H new ATOM 490 N GLN A 31 -5.326 -3.979 -6.281 1.00 7.06 N ATOM 491 CA GLN A 31 -6.622 -4.004 -6.996 1.00 8.67 C ATOM 492 C GLN A 31 -6.705 -5.216 -7.899 1.00 10.90 C ATOM 493 O GLN A 31 -7.674 -6.000 -7.950 1.00 9.63 O ATOM 494 CB GLN A 31 -6.812 -2.712 -7.841 1.00 9.12 C ATOM 495 CG GLN A 31 -8.170 -2.671 -8.665 1.00 10.76 C ATOM 496 CD GLN A 31 -8.287 -1.405 -9.471 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.330 -0.826 -9.976 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.543 -0.953 -9.583 1.00 14.76 N ATOM 0 H GLN A 31 -4.756 -3.165 -6.512 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.415 -4.057 -6.250 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.776 -1.848 -7.178 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.976 -2.617 -8.534 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.220 -3.533 -9.330 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.015 -2.747 -7.981 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.310 -1.465 -9.148 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.732 -0.097 -10.104 1.00 14.76 H new ATOM 507 N ASP A 32 -5.609 -5.522 -8.617 1.00 10.93 N ATOM 508 CA ASP A 32 -5.422 -6.657 -9.504 1.00 14.01 C ATOM 509 C ASP A 32 -5.681 -7.943 -8.770 1.00 14.04 C ATOM 510 O ASP A 32 -6.412 -8.832 -9.196 1.00 13.39 O ATOM 511 CB ASP A 32 -4.022 -6.487 -10.141 1.00 18.01 C ATOM 512 CG ASP A 32 -3.860 -7.069 -11.456 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.644 -7.953 -11.868 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.873 -6.611 -12.169 1.00 26.29 O ATOM 0 H ASP A 32 -4.778 -4.932 -8.581 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.141 -6.700 -10.322 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.798 -5.422 -10.204 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.282 -6.929 -9.474 1.00 18.01 H new ATOM 519 N LYS A 33 -5.205 -8.069 -7.503 1.00 14.22 N ATOM 520 CA LYS A 33 -5.425 -9.190 -6.644 1.00 14.00 C ATOM 521 C LYS A 33 -6.823 -9.201 -5.939 1.00 12.37 C ATOM 522 O LYS A 33 -7.462 -10.242 -5.889 1.00 12.17 O ATOM 523 CB LYS A 33 -4.357 -9.241 -5.561 1.00 18.62 C ATOM 524 CG LYS A 33 -2.958 -9.365 -6.120 1.00 24.00 C ATOM 525 CD LYS A 33 -1.855 -9.738 -5.133 1.00 27.61 C ATOM 526 CE LYS A 33 -0.407 -9.837 -5.650 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.186 -10.959 -6.525 1.00 30.06 N ATOM 0 H LYS A 33 -4.637 -7.344 -7.064 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.382 -10.060 -7.300 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.421 -8.339 -4.952 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.556 -10.086 -4.901 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.973 -10.114 -6.912 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.692 -8.415 -6.584 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.870 -9.004 -4.327 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.116 -10.700 -4.693 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.155 -8.918 -6.179 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.270 -9.911 -4.799 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.806 -10.967 -6.836 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.396 -11.842 -6.017 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.808 -10.880 -7.355 1.00 30.06 H new ATOM 541 N GLU A 34 -7.308 -8.072 -5.363 1.00 10.11 N ATOM 542 CA GLU A 34 -8.381 -8.181 -4.342 1.00 10.07 C ATOM 543 C GLU A 34 -9.617 -7.432 -4.778 1.00 9.32 C ATOM 544 O GLU A 34 -10.634 -7.481 -4.132 1.00 11.61 O ATOM 545 CB GLU A 34 -7.858 -7.630 -3.014 1.00 14.77 C ATOM 546 CG GLU A 34 -6.562 -8.344 -2.528 1.00 18.75 C ATOM 547 CD GLU A 34 -6.795 -9.771 -2.103 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.900 -10.103 -1.630 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.935 -10.637 -2.238 1.00 21.95 O ATOM 0 H GLU A 34 -6.995 -7.124 -5.572 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.658 -9.228 -4.220 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.660 -6.564 -3.122 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.631 -7.735 -2.253 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.823 -8.326 -3.329 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.140 -7.787 -1.692 1.00 18.75 H new ATOM 556 N GLY A 35 -9.567 -6.696 -5.944 1.00 7.22 N ATOM 557 CA GLY A 35 -10.712 -5.984 -6.591 1.00 6.29 C ATOM 558 C GLY A 35 -10.959 -4.631 -5.951 1.00 6.93 C ATOM 559 O GLY A 35 -11.906 -3.880 -6.299 1.00 7.41 O ATOM 0 H GLY A 35 -8.699 -6.584 -6.468 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.507 -5.853 -7.653 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.612 -6.594 -6.513 1.00 6.29 H new ATOM 563 N ILE A 36 -10.118 -4.187 -4.959 1.00 5.86 N ATOM 564 CA ILE A 36 -10.196 -2.881 -4.268 1.00 6.07 C ATOM 565 C ILE A 36 -9.694 -1.761 -5.128 1.00 6.36 C ATOM 566 O ILE A 36 -8.513 -1.744 -5.494 1.00 6.18 O ATOM 567 CB ILE A 36 -9.432 -2.790 -2.924 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.562 -4.113 -2.186 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.884 -1.556 -2.193 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.521 -4.218 -1.068 1.00 9.49 C ATOM 0 H ILE A 36 -9.346 -4.759 -4.617 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.262 -2.788 -4.059 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.357 -2.658 -3.051 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.564 -4.203 -1.766 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.435 -4.939 -2.886 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.353 -1.480 -1.244 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.671 -0.676 -2.799 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.956 -1.617 -2.005 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.634 -5.173 -0.554 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.520 -4.152 -1.495 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.667 -3.404 -0.357 1.00 9.49 H new ATOM 582 N PRO A 37 -10.471 -0.709 -5.452 1.00 8.65 N ATOM 583 CA PRO A 37 -9.996 0.364 -6.325 1.00 9.18 C ATOM 584 C PRO A 37 -9.009 1.214 -5.442 1.00 9.85 C ATOM 585 O PRO A 37 -9.293 1.401 -4.263 1.00 8.51 O ATOM 586 CB PRO A 37 -11.225 1.227 -6.666 1.00 11.42 C ATOM 587 CG PRO A 37 -12.150 0.866 -5.500 1.00 9.27 C ATOM 588 CD PRO A 37 -11.910 -0.587 -5.223 1.00 8.33 C ATOM 0 HA PRO A 37 -9.514 0.007 -7.235 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.990 2.291 -6.695 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.657 0.970 -7.633 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.928 1.473 -4.622 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.193 1.048 -5.758 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.185 -0.858 -4.204 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.485 -1.229 -5.890 1.00 8.33 H new ATOM 596 N PRO A 38 -7.944 1.774 -5.981 1.00 8.71 N ATOM 597 CA PRO A 38 -7.012 2.674 -5.301 1.00 9.08 C ATOM 598 C PRO A 38 -7.642 3.791 -4.514 1.00 9.28 C ATOM 599 O PRO A 38 -7.139 4.204 -3.450 1.00 6.50 O ATOM 600 CB PRO A 38 -6.047 3.210 -6.455 1.00 10.31 C ATOM 601 CG PRO A 38 -6.044 1.925 -7.305 1.00 10.81 C ATOM 602 CD PRO A 38 -7.461 1.384 -7.329 1.00 12.00 C ATOM 0 HA PRO A 38 -6.481 2.130 -4.520 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.448 4.075 -6.984 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.057 3.489 -6.093 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.698 2.137 -8.317 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.361 1.189 -6.882 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.058 1.830 -8.124 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.486 0.305 -7.478 1.00 12.00 H new ATOM 610 N ASP A 39 -8.791 4.320 -5.093 1.00 11.20 N ATOM 611 CA ASP A 39 -9.568 5.444 -4.536 1.00 14.96 C ATOM 612 C ASP A 39 -10.068 5.158 -3.083 1.00 13.99 C ATOM 613 O ASP A 39 -10.286 6.190 -2.409 1.00 13.75 O ATOM 614 CB ASP A 39 -10.675 5.724 -5.568 1.00 24.16 C ATOM 615 CG ASP A 39 -11.088 7.178 -5.316 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.275 8.128 -5.426 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.293 7.413 -5.021 1.00 35.55 O ATOM 0 H ASP A 39 -9.182 3.957 -5.962 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.965 6.341 -4.397 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.310 5.587 -6.586 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.518 5.045 -5.438 1.00 24.16 H new ATOM 622 N GLN A 40 -10.337 3.885 -2.738 1.00 11.60 N ATOM 623 CA GLN A 40 -10.894 3.509 -1.458 1.00 10.76 C ATOM 624 C GLN A 40 -9.747 3.027 -0.502 1.00 8.01 C ATOM 625 O GLN A 40 -9.918 2.771 0.691 1.00 8.96 O ATOM 626 CB GLN A 40 -11.928 2.344 -1.650 1.00 11.14 C ATOM 627 CG GLN A 40 -12.856 2.255 -0.434 1.00 14.85 C ATOM 628 CD GLN A 40 -13.504 0.819 -0.312 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.113 -0.192 -0.871 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.502 0.809 0.562 1.00 18.16 N ATOM 0 H GLN A 40 -10.166 3.093 -3.357 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.395 4.373 -1.022 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.515 2.514 -2.553 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.402 1.399 -1.785 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.294 2.481 0.472 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.642 3.005 -0.518 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.798 1.677 1.008 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.973 -0.067 0.788 1.00 18.16 H new ATOM 639 N GLN A 41 -8.501 2.942 -1.035 1.00 6.52 N ATOM 640 CA GLN A 41 -7.375 2.443 -0.259 1.00 3.87 C ATOM 641 C GLN A 41 -6.645 3.568 0.414 1.00 4.79 C ATOM 642 O GLN A 41 -6.437 4.587 -0.287 1.00 6.34 O ATOM 643 CB GLN A 41 -6.313 1.734 -1.163 1.00 4.20 C ATOM 644 CG GLN A 41 -6.864 0.521 -1.972 1.00 3.20 C ATOM 645 CD GLN A 41 -5.803 -0.279 -2.728 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.670 -0.451 -2.269 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.173 -0.862 -3.880 1.00 7.13 N ATOM 0 H GLN A 41 -8.269 3.214 -1.990 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.802 1.746 0.463 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.902 2.464 -1.860 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.489 1.393 -0.536 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.384 -0.148 -1.287 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.603 0.884 -2.686 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.112 -0.712 -4.249 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.515 -1.455 -4.386 1.00 7.13 H new ATOM 656 N ARG A 42 -6.225 3.397 1.695 1.00 5.73 N ATOM 657 CA ARG A 42 -5.266 4.249 2.335 1.00 6.97 C ATOM 658 C ARG A 42 -4.311 3.199 2.927 1.00 7.15 C ATOM 659 O ARG A 42 -4.690 2.130 3.420 1.00 7.33 O ATOM 660 CB ARG A 42 -5.833 5.206 3.394 1.00 13.23 C ATOM 661 CG ARG A 42 -6.602 6.411 2.847 1.00 21.27 C ATOM 662 CD ARG A 42 -6.827 7.533 3.910 1.00 26.14 C ATOM 663 NE ARG A 42 -7.420 8.631 3.137 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.358 9.479 3.645 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.994 9.218 4.777 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.683 10.521 2.914 1.00 36.39 N ATOM 0 H ARG A 42 -6.565 2.645 2.295 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.810 4.963 1.649 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.495 4.642 4.051 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.009 5.571 4.008 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.057 6.827 1.999 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.569 6.076 2.471 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.491 7.201 4.708 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.890 7.834 4.379 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.115 8.766 2.173 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.786 8.363 5.293 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.691 9.872 5.133 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.238 10.667 2.008 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.380 11.184 3.252 1.00 36.39 H new ATOM 680 N LEU A 43 -3.013 3.529 2.825 1.00 4.65 N ATOM 681 CA LEU A 43 -1.883 2.699 3.092 1.00 3.51 C ATOM 682 C LEU A 43 -0.995 3.301 4.135 1.00 5.56 C ATOM 683 O LEU A 43 -0.782 4.504 4.145 1.00 4.19 O ATOM 684 CB LEU A 43 -1.016 2.435 1.795 1.00 3.74 C ATOM 685 CG LEU A 43 -1.902 1.866 0.656 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.039 1.506 -0.600 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.833 0.733 0.959 1.00 6.41 C ATOM 0 H LEU A 43 -2.731 4.463 2.528 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.288 1.753 3.451 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.546 3.363 1.469 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.213 1.734 2.024 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.577 2.702 0.475 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.685 1.109 -1.384 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.535 2.401 -0.964 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.296 0.756 -0.328 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.377 0.457 0.055 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.260 -0.124 1.314 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.541 1.040 1.729 1.00 6.41 H new ATOM 699 N ILE A 44 -0.590 2.592 5.170 1.00 4.58 N ATOM 700 CA ILE A 44 0.110 3.086 6.335 1.00 5.55 C ATOM 701 C ILE A 44 1.311 2.258 6.575 1.00 5.46 C ATOM 702 O ILE A 44 1.337 1.024 6.617 1.00 6.04 O ATOM 703 CB ILE A 44 -0.834 3.152 7.522 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.113 4.038 7.282 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.054 3.708 8.723 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.032 4.289 8.458 1.00 13.90 C ATOM 0 H ILE A 44 -0.754 1.586 5.221 1.00 4.58 H new ATOM 0 HA ILE A 44 0.459 4.105 6.170 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.198 2.140 7.697 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.783 5.005 6.903 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.701 3.570 6.492 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.713 3.765 9.590 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.786 3.050 8.948 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.319 4.704 8.485 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.867 4.913 8.140 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.412 3.338 8.832 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.480 4.796 9.249 1.00 13.90 H new ATOM 718 N PHE A 45 2.473 2.917 6.636 1.00 6.75 N ATOM 719 CA PHE A 45 3.732 2.368 7.092 1.00 4.70 C ATOM 720 C PHE A 45 4.079 3.130 8.312 1.00 6.34 C ATOM 721 O PHE A 45 4.176 4.349 8.228 1.00 5.45 O ATOM 722 CB PHE A 45 4.828 2.640 6.036 1.00 5.51 C ATOM 723 CG PHE A 45 6.216 2.062 6.363 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.267 0.718 6.642 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.333 2.847 6.303 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.515 0.133 6.809 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.624 2.346 6.519 1.00 6.64 C ATOM 728 CZ PHE A 45 8.677 0.998 6.799 1.00 6.84 C ATOM 0 H PHE A 45 2.553 3.894 6.353 1.00 6.75 H new ATOM 0 HA PHE A 45 3.658 1.295 7.266 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.498 2.231 5.081 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.923 3.718 5.905 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.363 0.134 6.729 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.216 3.897 6.080 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.616 -0.934 6.942 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.506 2.967 6.470 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.639 0.562 7.024 1.00 6.84 H new ATOM 738 N ALA A 46 4.395 2.472 9.493 1.00 6.53 N ATOM 739 CA ALA A 46 4.886 3.014 10.724 1.00 7.15 C ATOM 740 C ALA A 46 4.112 4.230 11.336 1.00 9.00 C ATOM 741 O ALA A 46 4.743 5.209 11.805 1.00 11.15 O ATOM 742 CB ALA A 46 6.380 3.293 10.642 1.00 8.99 C ATOM 0 H ALA A 46 4.285 1.460 9.560 1.00 6.53 H new ATOM 0 HA ALA A 46 4.688 2.217 11.441 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.726 3.704 11.590 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.912 2.365 10.433 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.573 4.010 9.844 1.00 8.99 H new ATOM 748 N GLY A 47 2.796 4.163 11.348 1.00 9.35 N ATOM 749 CA GLY A 47 1.904 5.222 11.695 1.00 11.68 C ATOM 750 C GLY A 47 1.653 6.327 10.634 1.00 11.14 C ATOM 751 O GLY A 47 0.876 7.259 10.976 1.00 13.93 O ATOM 0 H GLY A 47 2.301 3.307 11.098 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.942 4.780 11.953 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.287 5.702 12.596 1.00 11.68 H new ATOM 755 N LYS A 48 2.181 6.171 9.409 1.00 10.47 N ATOM 756 CA LYS A 48 2.190 7.279 8.501 1.00 8.82 C ATOM 757 C LYS A 48 1.322 7.004 7.291 1.00 7.68 C ATOM 758 O LYS A 48 1.438 6.076 6.504 1.00 6.47 O ATOM 759 CB LYS A 48 3.612 7.590 7.977 1.00 9.74 C ATOM 760 CG LYS A 48 4.521 8.260 9.013 1.00 14.14 C ATOM 761 CD LYS A 48 5.898 8.535 8.428 1.00 16.32 C ATOM 762 CE LYS A 48 6.757 7.262 8.113 1.00 20.04 C ATOM 763 NZ LYS A 48 8.072 7.698 7.612 1.00 23.92 N ATOM 0 H LYS A 48 2.590 5.308 9.052 1.00 10.47 H new ATOM 0 HA LYS A 48 1.808 8.128 9.068 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.078 6.662 7.645 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.534 8.237 7.104 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.070 9.194 9.348 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.615 7.619 9.889 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.777 9.108 7.509 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.452 9.164 9.125 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.876 6.654 9.010 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.256 6.641 7.371 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.656 6.864 7.398 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.945 8.263 6.748 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.545 8.275 8.336 1.00 23.92 H new ATOM 777 N GLN A 49 0.375 7.898 7.014 1.00 8.89 N ATOM 778 CA GLN A 49 -0.420 7.838 5.805 1.00 7.18 C ATOM 779 C GLN A 49 0.390 8.051 4.501 1.00 8.23 C ATOM 780 O GLN A 49 1.024 9.084 4.380 1.00 9.70 O ATOM 781 CB GLN A 49 -1.504 8.849 5.955 1.00 11.67 C ATOM 782 CG GLN A 49 -2.521 8.707 7.091 1.00 15.82 C ATOM 783 CD GLN A 49 -3.780 9.536 6.945 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.428 9.424 5.878 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.143 10.418 7.870 1.00 20.67 N ATOM 0 H GLN A 49 0.143 8.681 7.625 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.824 6.832 5.695 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.028 9.823 6.064 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.062 8.870 5.019 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.805 7.658 7.172 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.034 8.979 8.028 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.608 10.500 8.734 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.957 11.013 7.716 1.00 20.67 H new ATOM 794 N LEU A 50 0.307 7.126 3.532 1.00 6.51 N ATOM 795 CA LEU A 50 1.273 7.174 2.374 1.00 7.41 C ATOM 796 C LEU A 50 0.686 7.780 1.121 1.00 8.27 C ATOM 797 O LEU A 50 -0.517 7.541 0.771 1.00 8.34 O ATOM 798 CB LEU A 50 1.732 5.743 2.034 1.00 7.13 C ATOM 799 CG LEU A 50 2.379 5.046 3.236 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.567 3.611 2.794 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.671 5.601 3.719 1.00 9.11 C ATOM 0 H LEU A 50 -0.373 6.366 3.504 1.00 6.51 H new ATOM 0 HA LEU A 50 2.100 7.807 2.694 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.877 5.159 1.694 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.443 5.777 1.209 1.00 7.13 H new ATOM 0 HG LEU A 50 1.725 5.184 4.097 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.027 3.039 3.600 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.598 3.176 2.548 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.211 3.582 1.915 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.021 5.019 4.571 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.410 5.553 2.919 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.531 6.639 4.021 1.00 9.11 H new ATOM 813 N GLU A 51 1.487 8.639 0.491 1.00 9.43 N ATOM 814 CA GLU A 51 0.997 9.394 -0.635 1.00 11.90 C ATOM 815 C GLU A 51 1.405 8.811 -1.969 1.00 11.49 C ATOM 816 O GLU A 51 2.440 8.189 -2.125 1.00 9.88 O ATOM 817 CB GLU A 51 1.636 10.873 -0.546 1.00 16.56 C ATOM 818 CG GLU A 51 1.144 11.791 0.609 1.00 26.06 C ATOM 819 CD GLU A 51 1.241 13.218 0.177 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.375 13.733 0.160 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.234 13.962 -0.046 1.00 33.44 O ATOM 0 H GLU A 51 2.459 8.820 0.744 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.092 9.386 -0.585 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.717 10.769 -0.458 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.441 11.383 -1.489 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.114 11.547 0.870 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.747 11.627 1.502 1.00 26.06 H new ATOM 828 N ASP A 52 0.450 8.857 -2.978 1.00 12.71 N ATOM 829 CA ASP A 52 0.389 8.047 -4.124 1.00 16.56 C ATOM 830 C ASP A 52 1.602 8.115 -5.153 1.00 15.83 C ATOM 831 O ASP A 52 2.135 7.122 -5.531 1.00 17.21 O ATOM 832 CB ASP A 52 -0.899 8.414 -4.902 1.00 21.05 C ATOM 833 CG ASP A 52 -2.036 8.381 -3.902 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.355 9.395 -3.202 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.727 7.344 -3.923 1.00 28.37 O ATOM 0 H ASP A 52 -0.318 9.527 -2.947 1.00 12.71 H new ATOM 0 HA ASP A 52 0.420 7.031 -3.729 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.810 9.402 -5.354 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.076 7.707 -5.713 1.00 21.05 H new ATOM 840 N GLY A 53 2.131 9.297 -5.483 1.00 15.00 N ATOM 841 CA GLY A 53 3.207 9.461 -6.478 1.00 11.77 C ATOM 842 C GLY A 53 4.556 9.237 -5.942 1.00 11.10 C ATOM 843 O GLY A 53 5.520 9.029 -6.659 1.00 11.25 O ATOM 0 H GLY A 53 1.826 10.177 -5.067 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.035 8.768 -7.302 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.154 10.468 -6.892 1.00 11.77 H new ATOM 847 N ARG A 54 4.668 9.180 -4.590 1.00 8.53 N ATOM 848 CA ARG A 54 5.975 8.889 -3.938 1.00 9.05 C ATOM 849 C ARG A 54 6.388 7.407 -4.082 1.00 8.96 C ATOM 850 O ARG A 54 5.541 6.535 -4.203 1.00 11.60 O ATOM 851 CB ARG A 54 5.808 9.355 -2.449 1.00 7.97 C ATOM 852 CG ARG A 54 5.350 10.804 -2.399 1.00 9.62 C ATOM 853 CD ARG A 54 5.504 11.457 -1.069 1.00 12.20 C ATOM 854 NE ARG A 54 4.801 12.786 -1.031 1.00 18.23 N ATOM 855 CZ ARG A 54 5.239 13.942 -1.515 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.500 14.072 -1.931 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.448 15.016 -1.447 1.00 23.38 N ATOM 0 H ARG A 54 3.893 9.327 -3.943 1.00 8.53 H new ATOM 0 HA ARG A 54 6.796 9.423 -4.417 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.083 8.719 -1.941 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.754 9.247 -1.918 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.913 11.375 -3.137 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.301 10.850 -2.693 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.100 10.807 -0.293 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.563 11.596 -0.850 1.00 12.20 H new ATOM 0 HE ARG A 54 3.885 12.801 -0.583 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.139 13.278 -1.879 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.825 14.965 -2.301 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.521 14.941 -1.027 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.771 15.911 -1.815 1.00 23.38 H new ATOM 871 N THR A 55 7.719 7.043 -3.975 1.00 9.05 N ATOM 872 CA THR A 55 8.254 5.700 -4.110 1.00 9.03 C ATOM 873 C THR A 55 8.482 5.059 -2.702 1.00 8.15 C ATOM 874 O THR A 55 8.658 5.677 -1.689 1.00 5.91 O ATOM 875 CB THR A 55 9.509 5.478 -4.966 1.00 11.15 C ATOM 876 OG1 THR A 55 10.598 6.343 -4.614 1.00 11.95 O ATOM 877 CG2 THR A 55 9.084 5.759 -6.429 1.00 11.71 C ATOM 0 H THR A 55 8.447 7.731 -3.784 1.00 9.05 H new ATOM 0 HA THR A 55 7.468 5.211 -4.686 1.00 9.03 H new ATOM 0 HB THR A 55 9.873 4.462 -4.811 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.367 6.153 -5.192 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.939 5.617 -7.090 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.287 5.073 -6.714 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.727 6.785 -6.513 1.00 11.71 H new ATOM 885 N LEU A 56 8.447 3.709 -2.679 1.00 6.91 N ATOM 886 CA LEU A 56 8.785 2.835 -1.558 1.00 8.29 C ATOM 887 C LEU A 56 10.151 3.081 -0.953 1.00 8.05 C ATOM 888 O LEU A 56 10.241 3.097 0.256 1.00 10.17 O ATOM 889 CB LEU A 56 8.684 1.344 -2.026 1.00 6.60 C ATOM 890 CG LEU A 56 7.223 0.962 -2.414 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.074 -0.347 -3.318 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.328 0.764 -1.148 1.00 8.64 C ATOM 0 H LEU A 56 8.162 3.176 -3.501 1.00 6.91 H new ATOM 0 HA LEU A 56 8.068 3.062 -0.769 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.341 1.185 -2.881 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.033 0.687 -1.229 1.00 6.60 H new ATOM 0 HG LEU A 56 6.894 1.812 -3.012 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.020 -0.524 -3.531 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.615 -0.206 -4.254 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.486 -1.205 -2.787 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.316 0.499 -1.455 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.741 -0.034 -0.532 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.301 1.690 -0.573 1.00 8.64 H new ATOM 904 N SER A 57 11.145 3.419 -1.749 1.00 8.92 N ATOM 905 CA SER A 57 12.452 3.909 -1.364 1.00 9.00 C ATOM 906 C SER A 57 12.412 5.235 -0.529 1.00 9.44 C ATOM 907 O SER A 57 13.150 5.478 0.383 1.00 10.91 O ATOM 908 CB SER A 57 13.432 4.063 -2.558 1.00 10.32 C ATOM 909 OG SER A 57 14.801 4.205 -2.075 1.00 13.59 O ATOM 0 H SER A 57 11.052 3.353 -2.763 1.00 8.92 H new ATOM 0 HA SER A 57 12.836 3.123 -0.714 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.358 3.194 -3.212 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.157 4.934 -3.153 1.00 10.32 H new ATOM 0 HG SER A 57 15.409 4.300 -2.838 1.00 13.59 H new ATOM 915 N ASP A 58 11.527 6.121 -0.921 1.00 9.11 N ATOM 916 CA ASP A 58 11.416 7.453 -0.371 1.00 7.91 C ATOM 917 C ASP A 58 10.775 7.428 1.008 1.00 9.12 C ATOM 918 O ASP A 58 11.041 8.233 1.905 1.00 8.61 O ATOM 919 CB ASP A 58 10.725 8.286 -1.476 1.00 8.41 C ATOM 920 CG ASP A 58 10.771 9.760 -1.220 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.861 10.288 -0.860 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.694 10.431 -1.227 1.00 10.05 O ATOM 0 H ASP A 58 10.843 5.930 -1.653 1.00 9.11 H new ATOM 0 HA ASP A 58 12.368 7.933 -0.145 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.202 8.075 -2.433 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.685 7.971 -1.562 1.00 8.41 H new ATOM 927 N TYR A 59 10.000 6.361 1.322 1.00 7.97 N ATOM 928 CA TYR A 59 9.443 6.060 2.570 1.00 8.45 C ATOM 929 C TYR A 59 10.306 5.108 3.314 1.00 10.98 C ATOM 930 O TYR A 59 9.895 4.734 4.433 1.00 12.95 O ATOM 931 CB TYR A 59 8.050 5.414 2.446 1.00 7.94 C ATOM 932 CG TYR A 59 7.010 6.458 2.292 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.818 7.422 3.256 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.306 6.562 1.079 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.933 8.448 3.063 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.348 7.624 0.862 1.00 6.52 C ATOM 937 CZ TYR A 59 5.125 8.490 1.938 1.00 6.76 C ATOM 938 OH TYR A 59 4.043 9.387 1.870 1.00 7.63 O ATOM 0 H TYR A 59 9.757 5.662 0.620 1.00 7.97 H new ATOM 0 HA TYR A 59 9.359 7.009 3.099 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.029 4.741 1.589 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.841 4.811 3.330 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.375 7.368 4.180 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.483 5.838 0.298 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.863 9.236 3.798 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.833 7.742 -0.080 1.00 6.52 H new ATOM 0 HH TYR A 59 4.382 10.303 1.793 1.00 7.63 H new ATOM 948 N ASN A 60 11.461 4.562 2.752 1.00 12.38 N ATOM 949 CA ASN A 60 12.242 3.584 3.509 1.00 13.94 C ATOM 950 C ASN A 60 11.583 2.220 3.738 1.00 14.16 C ATOM 951 O ASN A 60 11.671 1.646 4.820 1.00 14.26 O ATOM 952 CB ASN A 60 12.799 4.077 4.828 1.00 19.23 C ATOM 953 CG ASN A 60 13.391 5.504 4.627 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.461 5.804 4.125 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.663 6.504 5.177 1.00 24.09 N ATOM 0 H ASN A 60 11.825 4.790 1.827 1.00 12.38 H new ATOM 0 HA ASN A 60 13.068 3.440 2.812 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.014 4.098 5.584 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.570 3.397 5.189 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.016 7.461 5.160 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.761 6.301 5.609 1.00 24.09 H new ATOM 962 N ILE A 61 10.879 1.800 2.639 1.00 11.08 N ATOM 963 CA ILE A 61 10.121 0.602 2.542 1.00 11.78 C ATOM 964 C ILE A 61 11.004 -0.373 1.697 1.00 13.74 C ATOM 965 O ILE A 61 11.424 -0.101 0.572 1.00 14.60 O ATOM 966 CB ILE A 61 8.711 0.776 1.949 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.928 1.756 2.807 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.049 -0.640 1.852 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.530 2.103 2.261 1.00 11.42 C ATOM 0 H ILE A 61 10.852 2.347 1.778 1.00 11.08 H new ATOM 0 HA ILE A 61 9.909 0.215 3.539 1.00 11.78 H new ATOM 0 HB ILE A 61 8.736 1.197 0.944 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.820 1.338 3.808 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.505 2.676 2.905 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.047 -0.545 1.434 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.652 -1.280 1.208 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.987 -1.082 2.847 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.041 2.807 2.934 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.627 2.553 1.273 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.932 1.195 2.189 1.00 11.42 H new ATOM 981 N GLN A 62 11.272 -1.527 2.274 1.00 13.97 N ATOM 982 CA GLN A 62 12.153 -2.481 1.708 1.00 15.52 C ATOM 983 C GLN A 62 11.563 -3.879 1.980 1.00 13.94 C ATOM 984 O GLN A 62 10.504 -4.027 2.599 1.00 12.15 O ATOM 985 CB GLN A 62 13.471 -2.287 2.473 1.00 19.53 C ATOM 986 CG GLN A 62 13.328 -2.560 3.964 1.00 26.38 C ATOM 987 CD GLN A 62 14.648 -2.299 4.734 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.771 -2.215 4.239 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.466 -2.169 6.060 1.00 32.71 N ATOM 0 H GLN A 62 10.867 -1.816 3.165 1.00 13.97 H new ATOM 0 HA GLN A 62 12.300 -2.374 0.633 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.229 -2.950 2.057 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.825 -1.267 2.327 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.539 -1.929 4.374 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.019 -3.594 4.115 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.529 -2.241 6.456 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.265 -1.998 6.670 1.00 32.71 H new ATOM 998 N LYS A 63 12.291 -4.941 1.597 1.00 11.73 N ATOM 999 CA LYS A 63 11.761 -6.267 1.698 1.00 11.97 C ATOM 1000 C LYS A 63 11.293 -6.588 3.087 1.00 10.41 C ATOM 1001 O LYS A 63 11.855 -6.121 4.099 1.00 9.59 O ATOM 1002 CB LYS A 63 12.738 -7.410 1.233 1.00 13.73 C ATOM 1003 CG LYS A 63 14.093 -7.363 2.009 1.00 16.98 C ATOM 1004 CD LYS A 63 15.119 -8.430 1.609 1.00 20.19 C ATOM 1005 CE LYS A 63 14.611 -9.852 1.837 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.719 -10.786 1.566 1.00 25.97 N ATOM 0 H LYS A 63 13.237 -4.886 1.221 1.00 11.73 H new ATOM 0 HA LYS A 63 10.920 -6.250 1.005 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.264 -8.379 1.387 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.927 -7.314 0.164 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.541 -6.380 1.864 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.886 -7.464 3.074 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.376 -8.305 0.557 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.035 -8.280 2.181 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.257 -9.969 2.861 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.766 -10.064 1.181 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.394 -11.763 1.716 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.035 -10.673 0.582 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.510 -10.582 2.209 1.00 25.97 H new ATOM 1020 N GLU A 64 10.188 -7.338 3.185 1.00 10.04 N ATOM 1021 CA GLU A 64 9.668 -7.983 4.459 1.00 10.94 C ATOM 1022 C GLU A 64 9.106 -7.006 5.415 1.00 9.74 C ATOM 1023 O GLU A 64 8.731 -7.363 6.550 1.00 9.42 O ATOM 1024 CB GLU A 64 10.704 -8.890 5.099 1.00 18.31 C ATOM 1025 CG GLU A 64 11.147 -10.062 4.117 1.00 24.16 C ATOM 1026 CD GLU A 64 12.164 -10.983 4.702 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.197 -10.440 5.261 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.023 -12.227 4.655 1.00 31.72 O ATOM 0 H GLU A 64 9.597 -7.535 2.378 1.00 10.04 H new ATOM 0 HA GLU A 64 8.832 -8.616 4.161 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.577 -8.302 5.382 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.297 -9.317 6.016 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.267 -10.639 3.835 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.549 -9.625 3.203 1.00 24.16 H new ATOM 1035 N SER A 65 8.991 -5.723 4.979 1.00 6.85 N ATOM 1036 CA SER A 65 8.267 -4.664 5.693 1.00 6.90 C ATOM 1037 C SER A 65 6.764 -5.021 5.834 1.00 4.72 C ATOM 1038 O SER A 65 6.101 -5.630 4.978 1.00 3.91 O ATOM 1039 CB SER A 65 8.305 -3.231 5.040 1.00 7.28 C ATOM 1040 OG SER A 65 9.621 -2.884 4.654 1.00 10.56 O ATOM 0 H SER A 65 9.410 -5.402 4.106 1.00 6.85 H new ATOM 0 HA SER A 65 8.797 -4.615 6.644 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.649 -3.206 4.170 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.924 -2.495 5.748 1.00 7.28 H new ATOM 0 HG SER A 65 10.009 -3.611 4.123 1.00 10.56 H new ATOM 1046 N THR A 66 6.182 -4.616 7.020 1.00 4.48 N ATOM 1047 CA THR A 66 4.744 -4.696 7.221 1.00 3.80 C ATOM 1048 C THR A 66 4.167 -3.370 6.900 1.00 4.60 C ATOM 1049 O THR A 66 4.518 -2.379 7.532 1.00 5.33 O ATOM 1050 CB THR A 66 4.354 -5.041 8.634 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.971 -6.223 9.022 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.858 -5.351 8.854 1.00 3.40 C ATOM 0 H THR A 66 6.702 -4.244 7.815 1.00 4.48 H new ATOM 0 HA THR A 66 4.368 -5.492 6.577 1.00 3.80 H new ATOM 0 HB THR A 66 4.642 -4.150 9.193 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.714 -6.439 9.942 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.686 -5.586 9.904 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.262 -4.483 8.574 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.569 -6.203 8.239 1.00 3.40 H new ATOM 1060 N LEU A 67 3.154 -3.342 5.982 1.00 4.17 N ATOM 1061 CA LEU A 67 2.401 -2.159 5.579 1.00 3.85 C ATOM 1062 C LEU A 67 0.987 -2.482 5.956 1.00 3.80 C ATOM 1063 O LEU A 67 0.631 -3.663 6.118 1.00 5.54 O ATOM 1064 CB LEU A 67 2.558 -1.931 4.060 1.00 7.18 C ATOM 1065 CG LEU A 67 3.556 -0.809 3.627 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.008 -1.066 3.995 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.480 -0.750 2.071 1.00 11.66 C ATOM 0 H LEU A 67 2.845 -4.184 5.497 1.00 4.17 H new ATOM 0 HA LEU A 67 2.742 -1.240 6.056 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.879 -2.868 3.605 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.578 -1.695 3.646 1.00 7.18 H new ATOM 0 HG LEU A 67 3.267 0.106 4.143 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.623 -0.233 3.653 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.097 -1.163 5.077 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.347 -1.986 3.519 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.158 0.019 1.703 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.767 -1.716 1.656 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.461 -0.512 1.765 1.00 11.66 H new ATOM 1079 N HIS A 68 0.142 -1.462 6.221 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.179 -1.682 6.708 1.00 4.17 C ATOM 1081 C HIS A 68 -2.131 -1.040 5.755 1.00 5.32 C ATOM 1082 O HIS A 68 -1.934 0.035 5.202 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.310 -0.980 8.102 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.314 -1.547 9.119 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.052 -1.282 9.050 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.441 -2.589 9.891 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.698 -2.180 9.860 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.818 -2.973 10.424 1.00 16.30 N ATOM 0 H HIS A 68 0.383 -0.479 6.094 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.391 -2.747 6.801 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.143 0.091 7.987 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.325 -1.105 8.478 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.375 -3.091 10.097 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.766 -2.227 10.011 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.000 -3.711 11.104 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.266 -1.730 5.480 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.271 -1.306 4.501 1.00 3.97 C ATOM 1098 C LEU A 69 -5.616 -1.076 5.280 1.00 5.07 C ATOM 1099 O LEU A 69 -6.253 -1.902 5.935 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.537 -2.344 3.319 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.809 -2.159 2.518 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.836 -0.956 1.589 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.854 -3.310 1.480 1.00 9.96 C ATOM 0 H LEU A 69 -3.502 -2.607 5.944 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.888 -0.405 4.021 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.693 -2.298 2.631 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.547 -3.347 3.745 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.598 -2.086 3.266 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.792 -0.921 1.066 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.707 -0.044 2.171 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.028 -1.039 0.862 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.757 -3.220 0.876 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.978 -3.252 0.834 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.859 -4.268 1.999 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.084 0.138 5.026 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.284 0.810 5.529 1.00 6.26 C ATOM 1117 C VAL A 70 -8.199 1.082 4.413 1.00 9.22 C ATOM 1118 O VAL A 70 -7.753 1.533 3.324 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.006 2.193 6.169 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.261 2.782 6.891 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.889 2.032 7.225 1.00 8.54 C ATOM 0 H VAL A 70 -5.575 0.750 4.388 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.693 0.135 6.281 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.721 2.873 5.366 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.011 3.752 7.322 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.071 2.902 6.172 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.577 2.103 7.683 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.681 2.998 7.685 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.211 1.327 7.991 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.985 1.657 6.744 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.495 0.850 4.614 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.567 1.339 3.710 1.00 16.06 C ATOM 1133 C LEU A 71 -10.986 2.721 4.063 1.00 18.09 C ATOM 1134 O LEU A 71 -11.444 3.017 5.167 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.771 0.374 3.744 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.361 -1.078 3.370 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.593 -2.010 3.201 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.739 -1.160 1.988 1.00 19.57 C ATOM 0 H LEU A 71 -9.846 0.316 5.409 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.170 1.368 2.695 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.214 0.381 4.740 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.537 0.725 3.052 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.690 -1.369 4.178 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.257 -3.014 2.940 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.153 -2.046 4.136 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.235 -1.625 2.409 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.469 -2.194 1.771 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.455 -0.809 1.245 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.845 -0.537 1.954 1.00 19.57 H new