USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -65:sc= 1.15 USER MOD Set 1.2: A 57 SER OG : rot 180:sc=0.000346 USER MOD Set 2.1: A 22 THR OG1 : rot -23:sc= 0.32 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.802 K(o=1.1,f=-4.7!) USER MOD Set 3.1: A 7 THR OG1 : rot 146:sc= 1.48 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.227 (180deg=-0.312) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.28 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -110:sc= 1.03 (180deg=-1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.00558 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.21 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.748 (180deg=0.6) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.22) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-5.5!) 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=-0.041) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 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) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.815 -7.173 -4.426 1.00 9.67 N ATOM 2 CA MET A 1 11.549 -7.542 -3.046 1.00 10.38 C ATOM 3 C MET A 1 10.096 -7.891 -2.795 1.00 9.62 C ATOM 4 O MET A 1 9.245 -7.485 -3.639 1.00 9.62 O ATOM 5 CB MET A 1 12.007 -6.309 -2.129 1.00 13.77 C ATOM 6 CG MET A 1 11.216 -5.033 -2.224 1.00 16.29 C ATOM 7 SD MET A 1 12.103 -3.591 -1.538 1.00 17.17 S ATOM 8 CE MET A 1 10.568 -2.596 -1.408 1.00 16.11 C ATOM 0 H1 MET A 1 12.799 -6.848 -4.515 1.00 9.67 H new ATOM 0 H2 MET A 1 11.666 -7.998 -5.041 1.00 9.67 H new ATOM 0 H3 MET A 1 11.171 -6.408 -4.711 1.00 9.67 H new ATOM 0 HA MET A 1 12.108 -8.446 -2.804 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.988 -6.639 -1.090 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.045 -6.079 -2.371 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.973 -4.840 -3.269 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.271 -5.157 -1.694 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.806 -1.541 -1.544 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.864 -2.911 -2.178 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.121 -2.744 -0.425 1.00 16.11 H new ATOM 20 N GLN A 2 9.748 -8.726 -1.799 1.00 9.27 N ATOM 21 CA GLN A 2 8.341 -8.931 -1.464 1.00 9.07 C ATOM 22 C GLN A 2 7.947 -7.816 -0.453 1.00 8.72 C ATOM 23 O GLN A 2 8.747 -7.405 0.387 1.00 8.22 O ATOM 24 CB GLN A 2 8.102 -10.324 -0.909 1.00 14.46 C ATOM 25 CG GLN A 2 8.120 -11.307 -2.087 1.00 17.01 C ATOM 26 CD GLN A 2 7.817 -12.780 -1.790 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.289 -13.443 -0.859 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.961 -13.360 -2.674 1.00 19.49 N ATOM 0 H GLN A 2 10.408 -9.254 -1.229 1.00 9.27 H new ATOM 0 HA GLN A 2 7.715 -8.863 -2.354 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.873 -10.583 -0.183 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.145 -10.369 -0.388 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.398 -10.958 -2.826 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.104 -11.254 -2.553 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.572 -12.812 -3.442 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.708 -14.343 -2.569 1.00 19.49 H new ATOM 37 N ILE A 3 6.641 -7.442 -0.374 1.00 5.87 N ATOM 38 CA ILE A 3 6.127 -6.595 0.698 1.00 5.07 C ATOM 39 C ILE A 3 4.750 -7.122 0.991 1.00 4.01 C ATOM 40 O ILE A 3 4.066 -7.689 0.174 1.00 4.61 O ATOM 41 CB ILE A 3 6.059 -5.126 0.485 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.110 -4.837 -0.685 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.498 -4.543 0.209 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.789 -3.364 -0.974 1.00 10.83 C ATOM 0 H ILE A 3 5.934 -7.725 -1.053 1.00 5.87 H new ATOM 0 HA ILE A 3 6.852 -6.664 1.509 1.00 5.07 H new ATOM 0 HB ILE A 3 5.675 -4.640 1.382 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.541 -5.273 -1.586 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.171 -5.358 -0.496 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.431 -3.466 0.055 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.144 -4.748 1.063 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.916 -5.012 -0.682 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.109 -3.300 -1.823 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.319 -2.915 -0.099 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.710 -2.829 -1.205 1.00 10.83 H new ATOM 56 N PHE A 4 4.432 -7.057 2.321 1.00 4.55 N ATOM 57 CA PHE A 4 3.252 -7.694 2.787 1.00 4.68 C ATOM 58 C PHE A 4 2.246 -6.594 3.030 1.00 5.30 C ATOM 59 O PHE A 4 2.476 -5.683 3.784 1.00 5.58 O ATOM 60 CB PHE A 4 3.567 -8.440 4.023 1.00 4.83 C ATOM 61 CG PHE A 4 4.695 -9.475 3.885 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.730 -10.292 2.771 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.724 -9.502 4.800 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.763 -11.208 2.627 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.689 -10.505 4.723 1.00 10.61 C ATOM 66 CZ PHE A 4 6.708 -11.363 3.658 1.00 8.90 C ATOM 0 H PHE A 4 4.982 -6.577 3.033 1.00 4.55 H new ATOM 0 HA PHE A 4 2.848 -8.412 2.073 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.841 -7.727 4.800 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.665 -8.950 4.362 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.959 -10.218 2.018 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.783 -8.750 5.573 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.841 -11.800 1.727 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.425 -10.605 5.507 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.443 -12.153 3.609 1.00 8.90 H new ATOM 76 N VAL A 5 0.985 -6.718 2.544 1.00 4.44 N ATOM 77 CA VAL A 5 0.032 -5.747 2.770 1.00 3.87 C ATOM 78 C VAL A 5 -1.097 -6.328 3.627 1.00 4.93 C ATOM 79 O VAL A 5 -1.742 -7.232 3.174 1.00 6.84 O ATOM 80 CB VAL A 5 -0.448 -5.110 1.441 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.218 -3.810 1.864 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.805 -4.771 0.569 1.00 9.13 C ATOM 0 H VAL A 5 0.659 -7.513 1.994 1.00 4.44 H new ATOM 0 HA VAL A 5 0.468 -4.923 3.336 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.089 -5.766 0.852 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.590 -3.302 0.974 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.057 -4.077 2.507 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.543 -3.147 2.405 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.484 -4.322 -0.371 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.444 -4.070 1.107 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.362 -5.685 0.362 1.00 9.13 H new ATOM 92 N LYS A 6 -1.282 -5.688 4.823 1.00 6.04 N ATOM 93 CA LYS A 6 -2.200 -6.187 5.802 1.00 6.12 C ATOM 94 C LYS A 6 -3.427 -5.323 5.971 1.00 6.57 C ATOM 95 O LYS A 6 -3.301 -4.195 6.476 1.00 5.76 O ATOM 96 CB LYS A 6 -1.358 -6.270 7.115 1.00 7.45 C ATOM 97 CG LYS A 6 -2.114 -7.099 8.189 1.00 11.12 C ATOM 98 CD LYS A 6 -1.214 -7.290 9.462 1.00 14.54 C ATOM 99 CE LYS A 6 -0.205 -8.381 9.372 1.00 18.84 C ATOM 100 NZ LYS A 6 0.460 -8.594 10.638 1.00 20.55 N ATOM 0 H LYS A 6 -0.794 -4.835 5.096 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.609 -7.152 5.503 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.391 -6.728 6.907 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.161 -5.267 7.493 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.040 -6.594 8.463 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.389 -8.071 7.781 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.694 -6.353 9.663 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.861 -7.486 10.317 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.692 -9.303 9.056 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.533 -8.133 8.609 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.156 -9.360 10.540 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.945 -7.721 10.927 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.242 -8.854 11.360 1.00 20.55 H new ATOM 114 N THR A 7 -4.616 -5.946 5.776 1.00 7.41 N ATOM 115 CA THR A 7 -5.916 -5.297 6.101 1.00 7.48 C ATOM 116 C THR A 7 -6.198 -5.206 7.597 1.00 8.75 C ATOM 117 O THR A 7 -5.504 -5.721 8.488 1.00 8.58 O ATOM 118 CB THR A 7 -7.103 -6.074 5.400 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.285 -7.348 6.013 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.753 -6.374 4.001 1.00 9.17 C ATOM 0 H THR A 7 -4.704 -6.889 5.398 1.00 7.41 H new ATOM 0 HA THR A 7 -5.843 -4.277 5.725 1.00 7.48 H new ATOM 0 HB THR A 7 -7.991 -5.448 5.479 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.237 -7.580 6.009 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.576 -6.909 3.527 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.568 -5.443 3.465 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.856 -6.992 3.975 1.00 9.17 H new ATOM 128 N LEU A 8 -7.348 -4.587 7.949 1.00 9.84 N ATOM 129 CA LEU A 8 -7.944 -4.618 9.305 1.00 14.15 C ATOM 130 C LEU A 8 -8.930 -5.754 9.508 1.00 17.37 C ATOM 131 O LEU A 8 -9.689 -5.775 10.506 1.00 17.01 O ATOM 132 CB LEU A 8 -8.669 -3.335 9.756 1.00 16.63 C ATOM 133 CG LEU A 8 -7.817 -2.058 9.650 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.721 -0.889 9.874 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.768 -1.939 10.754 1.00 18.59 C ATOM 0 H LEU A 8 -7.899 -4.041 7.286 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.050 -4.749 9.914 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.569 -3.209 9.154 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.992 -3.458 10.790 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.329 -2.089 8.676 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.146 0.034 9.805 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.505 -0.885 9.117 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.172 -0.962 10.863 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.202 -1.017 10.621 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.262 -1.924 11.725 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.090 -2.791 10.705 1.00 18.59 H new ATOM 147 N THR A 9 -9.003 -6.705 8.605 1.00 18.33 N ATOM 148 CA THR A 9 -10.025 -7.728 8.598 1.00 19.24 C ATOM 149 C THR A 9 -9.430 -9.059 8.870 1.00 19.48 C ATOM 150 O THR A 9 -10.002 -10.118 8.631 1.00 23.14 O ATOM 151 CB THR A 9 -10.814 -7.731 7.317 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.025 -7.686 6.093 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.729 -6.469 7.353 1.00 19.70 C ATOM 0 H THR A 9 -8.338 -6.791 7.837 1.00 18.33 H new ATOM 0 HA THR A 9 -10.729 -7.496 9.398 1.00 19.24 H new ATOM 0 HB THR A 9 -11.353 -8.678 7.278 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.624 -7.693 5.317 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.325 -6.425 6.441 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.391 -6.524 8.217 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.111 -5.574 7.426 1.00 19.70 H new ATOM 161 N GLY A 10 -8.140 -8.975 9.320 1.00 19.43 N ATOM 162 CA GLY A 10 -7.236 -10.100 9.619 1.00 18.74 C ATOM 163 C GLY A 10 -6.858 -10.832 8.368 1.00 17.62 C ATOM 164 O GLY A 10 -6.770 -12.056 8.287 1.00 19.74 O ATOM 0 H GLY A 10 -7.695 -8.073 9.487 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.338 -9.728 10.113 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.721 -10.786 10.314 1.00 18.74 H new ATOM 168 N LYS A 11 -6.571 -10.127 7.259 1.00 13.56 N ATOM 169 CA LYS A 11 -6.085 -10.726 6.051 1.00 11.91 C ATOM 170 C LYS A 11 -4.779 -10.121 5.602 1.00 10.18 C ATOM 171 O LYS A 11 -4.614 -8.906 5.536 1.00 9.10 O ATOM 172 CB LYS A 11 -7.130 -10.740 4.891 1.00 13.43 C ATOM 173 CG LYS A 11 -6.686 -11.509 3.649 1.00 16.69 C ATOM 174 CD LYS A 11 -7.721 -11.464 2.530 1.00 17.92 C ATOM 175 CE LYS A 11 -7.253 -12.236 1.284 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.210 -12.123 0.225 1.00 21.93 N ATOM 0 H LYS A 11 -6.679 -9.115 7.199 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.902 -11.770 6.306 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.058 -11.176 5.260 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.352 -9.712 4.606 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.746 -11.094 3.286 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.493 -12.547 3.919 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.660 -11.886 2.887 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.920 -10.427 2.261 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.290 -11.849 0.952 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.105 -13.286 1.536 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.676 -13.041 0.079 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.923 -11.409 0.476 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.727 -11.837 -0.650 1.00 21.93 H new ATOM 190 N THR A 12 -3.742 -10.955 5.294 1.00 9.63 N ATOM 191 CA THR A 12 -2.513 -10.493 4.642 1.00 9.85 C ATOM 192 C THR A 12 -2.438 -10.973 3.149 1.00 11.66 C ATOM 193 O THR A 12 -2.787 -12.109 2.795 1.00 12.33 O ATOM 194 CB THR A 12 -1.202 -10.897 5.413 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.150 -10.235 6.664 1.00 10.91 O ATOM 196 CG2 THR A 12 0.062 -10.493 4.657 1.00 9.63 C ATOM 0 H THR A 12 -3.750 -11.955 5.495 1.00 9.63 H new ATOM 0 HA THR A 12 -2.566 -9.404 4.662 1.00 9.85 H new ATOM 0 HB THR A 12 -1.236 -11.981 5.524 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.332 -10.494 7.137 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.940 -10.793 5.229 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.077 -10.985 3.684 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.072 -9.412 4.517 1.00 9.63 H new ATOM 204 N ILE A 13 -1.955 -10.099 2.223 1.00 10.42 N ATOM 205 CA ILE A 13 -1.612 -10.416 0.832 1.00 11.84 C ATOM 206 C ILE A 13 -0.074 -10.177 0.656 1.00 10.55 C ATOM 207 O ILE A 13 0.418 -9.257 1.347 1.00 11.92 O ATOM 208 CB ILE A 13 -2.430 -9.672 -0.199 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.373 -8.164 -0.099 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.883 -10.175 -0.143 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.385 -7.315 -0.903 1.00 16.46 C ATOM 0 H ILE A 13 -1.792 -9.117 2.447 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.863 -11.460 0.646 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.979 -9.892 -1.167 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.486 -7.901 0.953 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.372 -7.853 -0.399 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.481 -9.644 -0.884 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.907 -11.244 -0.357 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.292 -9.995 0.851 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.202 -6.257 -0.715 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.268 -7.520 -1.967 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.399 -7.569 -0.594 1.00 16.46 H new ATOM 223 N THR A 14 0.607 -10.912 -0.281 1.00 9.39 N ATOM 224 CA THR A 14 1.981 -10.729 -0.582 1.00 9.63 C ATOM 225 C THR A 14 2.196 -10.120 -1.962 1.00 11.20 C ATOM 226 O THR A 14 1.683 -10.605 -2.931 1.00 11.63 O ATOM 227 CB THR A 14 2.856 -11.942 -0.554 1.00 10.38 C ATOM 228 OG1 THR A 14 2.725 -12.572 0.713 1.00 16.30 O ATOM 229 CG2 THR A 14 4.377 -11.688 -0.805 1.00 11.66 C ATOM 0 H THR A 14 0.167 -11.649 -0.832 1.00 9.39 H new ATOM 0 HA THR A 14 2.276 -10.073 0.237 1.00 9.63 H new ATOM 0 HB THR A 14 2.511 -12.559 -1.383 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.197 -12.045 1.391 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.916 -12.635 -0.762 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.513 -11.237 -1.788 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.765 -11.015 -0.040 1.00 11.66 H new ATOM 237 N LEU A 15 2.789 -8.922 -2.044 1.00 8.29 N ATOM 238 CA LEU A 15 2.998 -8.168 -3.219 1.00 9.03 C ATOM 239 C LEU A 15 4.434 -8.169 -3.606 1.00 8.59 C ATOM 240 O LEU A 15 5.281 -8.241 -2.731 1.00 7.79 O ATOM 241 CB LEU A 15 2.537 -6.645 -3.137 1.00 11.08 C ATOM 242 CG LEU A 15 1.100 -6.349 -2.711 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.837 -4.836 -2.713 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.009 -6.999 -3.549 1.00 15.27 C ATOM 0 H LEU A 15 3.149 -8.449 -1.215 1.00 8.29 H new ATOM 0 HA LEU A 15 2.372 -8.667 -3.958 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.203 -6.132 -2.443 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.693 -6.196 -4.118 1.00 11.08 H new ATOM 0 HG LEU A 15 1.044 -6.792 -1.717 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.192 -4.645 -2.407 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.519 -4.347 -2.017 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.996 -4.440 -3.716 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.982 -6.714 -3.149 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.071 -6.662 -4.582 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.095 -8.083 -3.512 1.00 15.27 H new ATOM 256 N GLU A 16 4.622 -8.199 -4.910 1.00 11.04 N ATOM 257 CA GLU A 16 5.939 -8.246 -5.571 1.00 11.50 C ATOM 258 C GLU A 16 6.276 -6.866 -6.184 1.00 10.13 C ATOM 259 O GLU A 16 5.513 -6.337 -6.971 1.00 9.83 O ATOM 260 CB GLU A 16 6.060 -9.455 -6.536 1.00 17.22 C ATOM 261 CG GLU A 16 7.487 -9.495 -7.081 1.00 23.33 C ATOM 262 CD GLU A 16 7.582 -10.517 -8.206 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.256 -11.704 -7.921 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.998 -10.250 -9.393 1.00 28.90 O ATOM 0 H GLU A 16 3.846 -8.192 -5.572 1.00 11.04 H new ATOM 0 HA GLU A 16 6.716 -8.434 -4.830 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.827 -10.383 -6.013 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.344 -9.362 -7.353 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.774 -8.509 -7.448 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.183 -9.753 -6.283 1.00 23.33 H new ATOM 271 N VAL A 17 7.464 -6.318 -5.764 1.00 8.99 N ATOM 272 CA VAL A 17 7.825 -4.893 -5.982 1.00 8.85 C ATOM 273 C VAL A 17 9.361 -4.668 -5.989 1.00 8.04 C ATOM 274 O VAL A 17 10.085 -5.596 -5.667 1.00 8.99 O ATOM 275 CB VAL A 17 7.226 -3.955 -4.899 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.734 -3.853 -4.946 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.652 -4.383 -3.494 1.00 10.54 C ATOM 0 H VAL A 17 8.181 -6.852 -5.273 1.00 8.99 H new ATOM 0 HA VAL A 17 7.406 -4.649 -6.958 1.00 8.85 H new ATOM 0 HB VAL A 17 7.629 -2.968 -5.129 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.390 -3.181 -4.160 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.426 -3.464 -5.917 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.297 -4.840 -4.796 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.216 -3.706 -2.759 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.305 -5.398 -3.302 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.739 -4.350 -3.417 1.00 10.54 H new ATOM 287 N GLU A 18 9.783 -3.461 -6.323 1.00 7.29 N ATOM 288 CA GLU A 18 11.143 -2.992 -6.226 1.00 7.08 C ATOM 289 C GLU A 18 11.076 -1.628 -5.536 1.00 6.45 C ATOM 290 O GLU A 18 9.949 -1.036 -5.511 1.00 5.28 O ATOM 291 CB GLU A 18 11.723 -2.650 -7.623 1.00 10.28 C ATOM 292 CG GLU A 18 11.963 -3.883 -8.470 1.00 12.65 C ATOM 293 CD GLU A 18 13.088 -4.814 -7.828 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.217 -4.334 -7.600 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.822 -6.015 -7.613 1.00 14.33 O ATOM 0 H GLU A 18 9.149 -2.750 -6.687 1.00 7.29 H new ATOM 0 HA GLU A 18 11.738 -3.755 -5.724 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.036 -1.983 -8.144 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.661 -2.109 -7.501 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.035 -4.446 -8.569 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.264 -3.585 -9.474 1.00 12.65 H new ATOM 302 N PRO A 19 12.195 -1.080 -4.939 1.00 7.24 N ATOM 303 CA PRO A 19 12.041 0.079 -4.040 1.00 7.07 C ATOM 304 C PRO A 19 11.768 1.405 -4.690 1.00 6.65 C ATOM 305 O PRO A 19 11.344 2.386 -4.041 1.00 6.37 O ATOM 306 CB PRO A 19 13.353 0.120 -3.170 1.00 7.61 C ATOM 307 CG PRO A 19 14.265 -0.965 -3.820 1.00 8.16 C ATOM 308 CD PRO A 19 13.378 -1.895 -4.720 1.00 7.49 C ATOM 0 HA PRO A 19 11.135 -0.069 -3.453 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.821 1.104 -3.198 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.146 -0.106 -2.124 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.046 -0.494 -4.417 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.764 -1.551 -3.048 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.875 -2.149 -5.656 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.138 -2.834 -4.221 1.00 7.49 H new ATOM 316 N SER A 20 11.971 1.477 -5.983 1.00 6.80 N ATOM 317 CA SER A 20 11.735 2.636 -6.796 1.00 6.28 C ATOM 318 C SER A 20 10.343 2.658 -7.391 1.00 8.45 C ATOM 319 O SER A 20 9.871 3.598 -8.012 1.00 7.26 O ATOM 320 CB SER A 20 12.686 2.523 -8.040 1.00 8.57 C ATOM 321 OG SER A 20 12.633 1.213 -8.673 1.00 11.13 O ATOM 0 H SER A 20 12.324 0.685 -6.521 1.00 6.80 H new ATOM 0 HA SER A 20 11.886 3.514 -6.168 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.414 3.286 -8.770 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.710 2.730 -7.729 1.00 8.57 H new ATOM 0 HG SER A 20 13.241 1.196 -9.442 1.00 11.13 H new ATOM 327 N ASP A 21 9.542 1.544 -7.298 1.00 7.50 N ATOM 328 CA ASP A 21 8.111 1.475 -7.570 1.00 7.70 C ATOM 329 C ASP A 21 7.288 2.344 -6.599 1.00 7.08 C ATOM 330 O ASP A 21 7.434 2.316 -5.385 1.00 8.11 O ATOM 331 CB ASP A 21 7.645 0.003 -7.533 1.00 11.00 C ATOM 332 CG ASP A 21 8.114 -0.990 -8.607 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.616 -0.592 -9.684 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.826 -2.233 -8.497 1.00 14.36 O ATOM 0 H ASP A 21 9.921 0.640 -7.016 1.00 7.50 H new ATOM 0 HA ASP A 21 7.938 1.881 -8.567 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.942 -0.404 -6.567 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.555 0.010 -7.555 1.00 11.00 H new ATOM 339 N THR A 22 6.418 3.152 -7.178 1.00 5.37 N ATOM 340 CA THR A 22 5.616 4.137 -6.454 1.00 6.01 C ATOM 341 C THR A 22 4.518 3.521 -5.692 1.00 8.01 C ATOM 342 O THR A 22 4.168 2.330 -5.814 1.00 8.11 O ATOM 343 CB THR A 22 5.087 5.268 -7.379 1.00 8.92 C ATOM 344 OG1 THR A 22 4.345 4.762 -8.477 1.00 10.22 O ATOM 345 CG2 THR A 22 6.279 6.002 -7.925 1.00 9.65 C ATOM 0 H THR A 22 6.242 3.146 -8.183 1.00 5.37 H new ATOM 0 HA THR A 22 6.293 4.596 -5.733 1.00 6.01 H new ATOM 0 HB THR A 22 4.429 5.911 -6.794 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.614 3.836 -8.655 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.943 6.805 -8.581 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.856 6.423 -7.101 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.905 5.311 -8.490 1.00 9.65 H new ATOM 353 N ILE A 23 3.863 4.220 -4.780 1.00 8.32 N ATOM 354 CA ILE A 23 2.689 3.884 -4.043 1.00 9.92 C ATOM 355 C ILE A 23 1.477 3.685 -4.978 1.00 10.01 C ATOM 356 O ILE A 23 0.654 2.815 -4.670 1.00 8.71 O ATOM 357 CB ILE A 23 2.464 4.892 -2.947 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.683 4.964 -1.908 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.073 4.803 -2.270 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.989 3.596 -1.360 1.00 12.30 C ATOM 0 H ILE A 23 4.196 5.148 -4.519 1.00 8.32 H new ATOM 0 HA ILE A 23 2.827 2.920 -3.553 1.00 9.92 H new ATOM 0 HB ILE A 23 2.447 5.857 -3.453 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.566 5.371 -2.401 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.433 5.642 -1.092 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.997 5.564 -1.494 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.295 4.966 -3.015 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.948 3.816 -1.824 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.819 3.663 -0.656 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.110 3.204 -0.848 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.260 2.929 -2.178 1.00 12.30 H new ATOM 372 N GLU A 24 1.347 4.439 -6.063 1.00 9.54 N ATOM 373 CA GLU A 24 0.427 4.140 -7.102 1.00 11.81 C ATOM 374 C GLU A 24 0.540 2.674 -7.627 1.00 11.14 C ATOM 375 O GLU A 24 -0.447 1.898 -7.681 1.00 10.62 O ATOM 376 CB GLU A 24 0.635 5.155 -8.322 1.00 19.24 C ATOM 377 CG GLU A 24 -0.404 4.858 -9.370 1.00 27.76 C ATOM 378 CD GLU A 24 -0.240 5.757 -10.597 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.207 7.013 -10.396 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.281 5.227 -11.693 1.00 34.80 O ATOM 0 H GLU A 24 1.895 5.283 -6.228 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.569 4.250 -6.673 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.543 6.185 -7.978 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.636 5.046 -8.739 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.329 3.813 -9.671 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.399 4.997 -8.947 1.00 27.76 H new ATOM 387 N ASN A 25 1.766 2.199 -7.932 1.00 9.43 N ATOM 388 CA ASN A 25 2.000 0.803 -8.264 1.00 10.96 C ATOM 389 C ASN A 25 1.557 -0.187 -7.163 1.00 9.68 C ATOM 390 O ASN A 25 0.850 -1.194 -7.321 1.00 9.33 O ATOM 391 CB ASN A 25 3.453 0.455 -8.510 1.00 16.78 C ATOM 392 CG ASN A 25 4.131 1.319 -9.647 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.053 2.110 -9.552 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.580 1.180 -10.853 1.00 24.70 N ATOM 0 H ASN A 25 2.606 2.777 -7.951 1.00 9.43 H new ATOM 0 HA ASN A 25 1.404 0.698 -9.170 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.011 0.588 -7.583 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.525 -0.600 -8.776 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.934 1.723 -11.641 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.805 0.531 -10.988 1.00 24.70 H new ATOM 401 N VAL A 26 1.947 0.140 -5.912 1.00 6.52 N ATOM 402 CA VAL A 26 1.508 -0.623 -4.714 1.00 5.53 C ATOM 403 C VAL A 26 0.026 -0.817 -4.725 1.00 4.42 C ATOM 404 O VAL A 26 -0.489 -1.918 -4.652 1.00 3.40 O ATOM 405 CB VAL A 26 1.813 0.062 -3.358 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.374 -0.897 -2.174 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.357 0.260 -3.278 1.00 8.12 C ATOM 0 H VAL A 26 2.564 0.925 -5.701 1.00 6.52 H new ATOM 0 HA VAL A 26 2.071 -1.554 -4.784 1.00 5.53 H new ATOM 0 HB VAL A 26 1.280 1.010 -3.279 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.588 -0.417 -1.219 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.306 -1.100 -2.247 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.927 -1.834 -2.241 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.614 0.741 -2.334 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.852 -0.709 -3.337 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.687 0.887 -4.106 1.00 8.12 H new ATOM 417 N LYS A 27 -0.813 0.263 -4.835 1.00 2.64 N ATOM 418 CA LYS A 27 -2.237 0.256 -4.836 1.00 4.14 C ATOM 419 C LYS A 27 -2.788 -0.499 -6.004 1.00 5.58 C ATOM 420 O LYS A 27 -3.787 -1.221 -5.922 1.00 4.11 O ATOM 421 CB LYS A 27 -2.841 1.652 -4.799 1.00 3.97 C ATOM 422 CG LYS A 27 -2.690 2.485 -3.508 1.00 7.45 C ATOM 423 CD LYS A 27 -3.317 3.921 -3.539 1.00 9.02 C ATOM 424 CE LYS A 27 -3.214 4.683 -2.149 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.635 6.107 -2.156 1.00 15.47 N ATOM 0 H LYS A 27 -0.442 1.208 -4.930 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.523 -0.253 -3.915 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.403 2.225 -5.616 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.906 1.558 -5.011 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.143 1.930 -2.686 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.628 2.579 -3.282 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.817 4.511 -4.307 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.366 3.846 -3.827 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.821 4.149 -1.418 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.181 4.631 -1.804 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.159 6.614 -1.382 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.376 6.541 -3.065 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.665 6.165 -2.026 1.00 15.47 H new ATOM 439 N ALA A 28 -2.194 -0.389 -7.195 1.00 6.61 N ATOM 440 CA ALA A 28 -2.535 -1.158 -8.401 1.00 7.74 C ATOM 441 C ALA A 28 -2.344 -2.703 -8.243 1.00 9.17 C ATOM 442 O ALA A 28 -3.082 -3.533 -8.806 1.00 11.45 O ATOM 443 CB ALA A 28 -1.604 -0.833 -9.603 1.00 7.68 C ATOM 0 H ALA A 28 -1.429 0.266 -7.355 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.576 -0.879 -8.563 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.902 -1.429 -10.465 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.684 0.226 -9.849 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.573 -1.067 -9.338 1.00 7.68 H new ATOM 449 N LYS A 29 -1.308 -3.185 -7.528 1.00 8.96 N ATOM 450 CA LYS A 29 -1.077 -4.554 -7.057 1.00 7.90 C ATOM 451 C LYS A 29 -2.135 -5.031 -6.040 1.00 6.92 C ATOM 452 O LYS A 29 -2.703 -6.111 -6.198 1.00 6.87 O ATOM 453 CB LYS A 29 0.453 -4.744 -6.758 1.00 10.28 C ATOM 454 CG LYS A 29 1.423 -4.379 -7.855 1.00 14.94 C ATOM 455 CD LYS A 29 2.861 -4.166 -7.261 1.00 19.69 C ATOM 456 CE LYS A 29 3.948 -4.059 -8.330 1.00 22.63 C ATOM 457 NZ LYS A 29 4.191 -5.188 -9.180 1.00 24.98 N ATOM 0 H LYS A 29 -0.548 -2.567 -7.243 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.270 -5.294 -7.833 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.701 -4.151 -5.878 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.618 -5.789 -6.495 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.446 -5.168 -8.607 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.091 -3.470 -8.356 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.866 -3.259 -6.656 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.097 -4.995 -6.594 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.701 -3.211 -8.969 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.884 -3.817 -7.827 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.787 -4.897 -9.981 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.677 -5.932 -8.639 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.286 -5.555 -9.537 1.00 24.98 H new ATOM 471 N ILE A 30 -2.572 -4.181 -5.079 1.00 4.57 N ATOM 472 CA ILE A 30 -3.743 -4.525 -4.242 1.00 5.58 C ATOM 473 C ILE A 30 -5.068 -4.563 -5.024 1.00 7.26 C ATOM 474 O ILE A 30 -5.846 -5.470 -4.823 1.00 9.46 O ATOM 475 CB ILE A 30 -3.822 -3.547 -3.075 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.485 -3.528 -2.261 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.055 -3.784 -2.175 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.369 -2.274 -1.368 1.00 2.00 C ATOM 0 H ILE A 30 -2.145 -3.279 -4.869 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.598 -5.540 -3.873 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.959 -2.554 -3.503 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.426 -4.422 -1.640 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.641 -3.562 -2.950 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.057 -3.058 -1.362 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.964 -3.670 -2.766 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.015 -4.792 -1.761 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.426 -2.302 -0.822 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.401 -1.380 -1.991 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.198 -2.253 -0.661 1.00 2.00 H new ATOM 490 N GLN A 31 -5.258 -3.612 -5.994 1.00 7.06 N ATOM 491 CA GLN A 31 -6.341 -3.652 -6.941 1.00 8.67 C ATOM 492 C GLN A 31 -6.322 -4.929 -7.757 1.00 10.90 C ATOM 493 O GLN A 31 -7.386 -5.546 -7.891 1.00 9.63 O ATOM 494 CB GLN A 31 -6.210 -2.429 -7.844 1.00 9.12 C ATOM 495 CG GLN A 31 -7.347 -2.329 -8.907 1.00 10.76 C ATOM 496 CD GLN A 31 -7.305 -1.091 -9.724 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.373 -0.313 -9.671 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.323 -0.857 -10.558 1.00 14.76 N ATOM 0 H GLN A 31 -4.642 -2.807 -6.112 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.294 -3.637 -6.412 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.215 -1.529 -7.229 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.247 -2.462 -8.353 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.286 -3.192 -9.571 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.310 -2.384 -8.400 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.106 -1.510 -10.603 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.317 -0.026 -11.149 1.00 14.76 H new ATOM 507 N ASP A 32 -5.176 -5.455 -8.270 1.00 10.93 N ATOM 508 CA ASP A 32 -5.073 -6.707 -9.025 1.00 14.01 C ATOM 509 C ASP A 32 -5.475 -7.906 -8.174 1.00 14.04 C ATOM 510 O ASP A 32 -6.236 -8.786 -8.562 1.00 13.39 O ATOM 511 CB ASP A 32 -3.671 -6.824 -9.650 1.00 18.01 C ATOM 512 CG ASP A 32 -3.508 -7.950 -10.704 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.446 -8.756 -10.958 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.400 -7.942 -11.338 1.00 25.17 O ATOM 0 H ASP A 32 -4.274 -4.992 -8.158 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.786 -6.697 -9.850 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.419 -5.872 -10.117 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.948 -6.989 -8.851 1.00 18.01 H new ATOM 519 N LYS A 33 -4.943 -7.972 -6.953 1.00 14.22 N ATOM 520 CA LYS A 33 -5.190 -9.055 -6.013 1.00 14.00 C ATOM 521 C LYS A 33 -6.522 -9.092 -5.256 1.00 12.37 C ATOM 522 O LYS A 33 -7.091 -10.188 -5.114 1.00 12.17 O ATOM 523 CB LYS A 33 -4.041 -9.200 -4.937 1.00 18.62 C ATOM 524 CG LYS A 33 -2.691 -9.532 -5.639 1.00 24.00 C ATOM 525 CD LYS A 33 -1.573 -10.251 -4.836 1.00 27.61 C ATOM 526 CE LYS A 33 -0.524 -10.825 -5.766 1.00 27.64 C ATOM 527 NZ LYS A 33 0.330 -11.766 -5.023 1.00 30.06 N ATOM 0 H LYS A 33 -4.315 -7.256 -6.586 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.226 -9.889 -6.714 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.946 -8.275 -4.368 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.294 -9.987 -4.227 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.917 -10.148 -6.509 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.276 -8.595 -6.011 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.107 -9.549 -4.145 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.008 -11.049 -4.234 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.004 -11.335 -6.602 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.082 -10.023 -6.187 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.111 -12.082 -5.633 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.718 -11.293 -4.182 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.234 -12.589 -4.729 1.00 30.06 H new ATOM 541 N GLU A 34 -7.016 -7.917 -4.819 1.00 10.11 N ATOM 542 CA GLU A 34 -8.198 -7.747 -3.968 1.00 10.07 C ATOM 543 C GLU A 34 -9.339 -6.986 -4.643 1.00 9.32 C ATOM 544 O GLU A 34 -10.428 -6.846 -4.046 1.00 11.61 O ATOM 545 CB GLU A 34 -7.776 -7.147 -2.628 1.00 14.77 C ATOM 546 CG GLU A 34 -7.062 -8.195 -1.736 1.00 18.75 C ATOM 547 CD GLU A 34 -7.918 -9.431 -1.380 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.788 -9.370 -0.462 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.618 -10.533 -1.910 1.00 25.19 O ATOM 0 H GLU A 34 -6.581 -7.027 -5.062 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.625 -8.733 -3.784 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.111 -6.301 -2.800 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.653 -6.762 -2.108 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.159 -8.530 -2.245 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.746 -7.711 -0.812 1.00 18.75 H new ATOM 556 N GLY A 35 -9.139 -6.476 -5.891 1.00 7.22 N ATOM 557 CA GLY A 35 -10.307 -5.867 -6.577 1.00 6.29 C ATOM 558 C GLY A 35 -10.717 -4.486 -6.114 1.00 6.93 C ATOM 559 O GLY A 35 -11.777 -3.984 -6.551 1.00 7.41 O ATOM 0 H GLY A 35 -8.258 -6.472 -6.405 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.089 -5.818 -7.644 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.160 -6.535 -6.456 1.00 6.29 H new ATOM 563 N ILE A 36 -9.913 -3.842 -5.273 1.00 5.86 N ATOM 564 CA ILE A 36 -10.264 -2.547 -4.614 1.00 6.07 C ATOM 565 C ILE A 36 -9.856 -1.406 -5.534 1.00 6.36 C ATOM 566 O ILE A 36 -8.665 -1.325 -5.869 1.00 6.18 O ATOM 567 CB ILE A 36 -9.506 -2.349 -3.294 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.520 -3.701 -2.535 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.175 -1.249 -2.459 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.865 -3.602 -1.176 1.00 9.49 C ATOM 0 H ILE A 36 -8.990 -4.190 -5.015 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.335 -2.561 -4.414 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.479 -2.038 -3.484 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.550 -4.038 -2.416 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.005 -4.455 -3.130 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.628 -1.118 -1.525 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.168 -0.313 -3.018 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.204 -1.534 -2.240 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.900 -4.574 -0.684 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.827 -3.292 -1.294 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.396 -2.869 -0.569 1.00 9.49 H new ATOM 582 N PRO A 37 -10.754 -0.517 -6.018 1.00 8.65 N ATOM 583 CA PRO A 37 -10.396 0.843 -6.419 1.00 9.18 C ATOM 584 C PRO A 37 -9.266 1.458 -5.589 1.00 9.85 C ATOM 585 O PRO A 37 -9.454 1.448 -4.353 1.00 8.51 O ATOM 586 CB PRO A 37 -11.677 1.688 -6.104 1.00 11.42 C ATOM 587 CG PRO A 37 -12.770 0.627 -6.317 1.00 9.27 C ATOM 588 CD PRO A 37 -12.124 -0.614 -5.758 1.00 8.33 C ATOM 0 HA PRO A 37 -10.065 0.832 -7.457 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.674 2.083 -5.088 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.788 2.539 -6.776 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.690 0.879 -5.790 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.027 0.513 -7.370 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.308 -0.695 -4.687 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.542 -1.508 -6.221 1.00 8.33 H new ATOM 596 N PRO A 38 -8.169 2.109 -6.075 1.00 8.71 N ATOM 597 CA PRO A 38 -7.275 2.928 -5.323 1.00 9.08 C ATOM 598 C PRO A 38 -7.874 4.141 -4.630 1.00 9.28 C ATOM 599 O PRO A 38 -7.314 4.560 -3.609 1.00 6.50 O ATOM 600 CB PRO A 38 -6.204 3.413 -6.283 1.00 10.31 C ATOM 601 CG PRO A 38 -6.099 2.264 -7.317 1.00 10.81 C ATOM 602 CD PRO A 38 -7.556 1.758 -7.324 1.00 12.00 C ATOM 0 HA PRO A 38 -6.911 2.300 -4.510 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.485 4.354 -6.756 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.255 3.583 -5.774 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.778 2.616 -8.297 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.394 1.492 -7.009 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.107 2.202 -8.153 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.581 0.678 -7.467 1.00 12.00 H new ATOM 610 N ASP A 39 -9.057 4.726 -5.078 1.00 11.20 N ATOM 611 CA ASP A 39 -9.846 5.704 -4.361 1.00 14.96 C ATOM 612 C ASP A 39 -10.278 5.188 -3.003 1.00 13.99 C ATOM 613 O ASP A 39 -10.652 5.972 -2.112 1.00 13.75 O ATOM 614 CB ASP A 39 -11.091 6.169 -5.122 1.00 24.16 C ATOM 615 CG ASP A 39 -10.706 6.900 -6.366 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.117 7.998 -6.262 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.997 6.429 -7.523 1.00 35.55 O ATOM 0 H ASP A 39 -9.462 4.490 -5.984 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.182 6.561 -4.245 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.710 5.309 -5.376 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.692 6.817 -4.484 1.00 24.16 H new ATOM 622 N GLN A 40 -10.324 3.874 -2.843 1.00 11.60 N ATOM 623 CA GLN A 40 -10.807 3.227 -1.656 1.00 10.76 C ATOM 624 C GLN A 40 -9.605 2.682 -0.852 1.00 8.01 C ATOM 625 O GLN A 40 -9.788 1.929 0.070 1.00 8.96 O ATOM 626 CB GLN A 40 -11.864 2.044 -1.868 1.00 11.14 C ATOM 627 CG GLN A 40 -13.230 2.526 -2.296 1.00 14.85 C ATOM 628 CD GLN A 40 -14.272 1.358 -2.335 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.865 0.170 -2.418 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.577 1.619 -2.342 1.00 18.16 N ATOM 0 H GLN A 40 -10.015 3.220 -3.562 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.357 4.004 -1.124 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.479 1.354 -2.619 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.960 1.483 -0.939 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.575 3.298 -1.608 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.161 2.985 -3.282 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.905 2.583 -2.275 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.249 0.855 -2.415 1.00 18.16 H new ATOM 639 N GLN A 41 -8.340 3.087 -1.206 1.00 6.52 N ATOM 640 CA GLN A 41 -7.212 2.520 -0.482 1.00 3.87 C ATOM 641 C GLN A 41 -6.524 3.554 0.350 1.00 4.79 C ATOM 642 O GLN A 41 -6.041 4.548 -0.217 1.00 6.34 O ATOM 643 CB GLN A 41 -6.244 1.803 -1.456 1.00 4.20 C ATOM 644 CG GLN A 41 -6.810 0.599 -2.190 1.00 3.20 C ATOM 645 CD GLN A 41 -5.635 -0.125 -2.917 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.546 -0.123 -2.372 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.832 -0.601 -4.168 1.00 7.13 N ATOM 0 H GLN A 41 -8.112 3.758 -1.940 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.589 1.768 0.211 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.902 2.527 -2.196 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.367 1.482 -0.895 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.298 -0.078 -1.489 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.566 0.913 -2.909 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.765 -0.580 -4.581 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.048 -0.981 -4.699 1.00 7.13 H new ATOM 656 N ARG A 42 -6.503 3.341 1.670 1.00 5.73 N ATOM 657 CA ARG A 42 -5.721 4.147 2.623 1.00 6.97 C ATOM 658 C ARG A 42 -4.588 3.267 3.108 1.00 7.15 C ATOM 659 O ARG A 42 -4.808 2.276 3.791 1.00 7.33 O ATOM 660 CB ARG A 42 -6.558 4.610 3.825 1.00 13.23 C ATOM 661 CG ARG A 42 -5.700 5.355 4.853 1.00 21.27 C ATOM 662 CD ARG A 42 -6.461 5.643 6.183 1.00 26.14 C ATOM 663 NE ARG A 42 -7.585 6.660 5.915 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.921 6.400 6.076 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.310 5.362 6.809 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.848 7.171 5.555 1.00 36.39 N ATOM 0 H ARG A 42 -7.035 2.594 2.116 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.364 5.049 2.126 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.362 5.260 3.481 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.026 3.747 4.298 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.809 4.766 5.070 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.362 6.297 4.422 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.878 4.719 6.584 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.772 6.033 6.932 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.317 7.591 5.596 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.615 4.760 7.251 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.304 5.167 6.930 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.582 7.992 5.011 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.834 6.949 5.694 1.00 36.39 H new ATOM 680 N LEU A 43 -3.299 3.671 2.732 1.00 4.65 N ATOM 681 CA LEU A 43 -2.096 3.000 3.125 1.00 3.51 C ATOM 682 C LEU A 43 -1.305 3.666 4.265 1.00 5.56 C ATOM 683 O LEU A 43 -0.947 4.827 4.173 1.00 4.19 O ATOM 684 CB LEU A 43 -1.181 2.924 1.932 1.00 3.74 C ATOM 685 CG LEU A 43 -1.728 2.044 0.760 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.737 2.115 -0.357 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.902 0.581 1.173 1.00 6.41 C ATOM 0 H LEU A 43 -3.129 4.486 2.142 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.418 2.028 3.498 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.002 3.933 1.561 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.218 2.526 2.252 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.707 2.421 0.464 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.088 1.511 -1.194 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.625 3.150 -0.679 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.226 1.736 -0.014 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.284 0.007 0.328 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.940 0.174 1.483 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.607 0.518 2.002 1.00 6.41 H new ATOM 699 N ILE A 44 -1.039 2.972 5.434 1.00 4.58 N ATOM 700 CA ILE A 44 -0.414 3.347 6.629 1.00 5.55 C ATOM 701 C ILE A 44 0.937 2.571 6.794 1.00 5.46 C ATOM 702 O ILE A 44 0.948 1.361 6.563 1.00 6.04 O ATOM 703 CB ILE A 44 -1.325 3.082 7.865 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.759 3.638 7.710 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.677 3.705 9.156 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.844 5.178 7.729 1.00 13.90 C ATOM 0 H ILE A 44 -1.330 1.996 5.497 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.220 4.418 6.578 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.406 1.998 7.950 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.179 3.273 6.773 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.380 3.241 8.513 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.321 3.515 10.015 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.300 3.252 9.328 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.560 4.780 9.022 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.883 5.486 7.615 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.456 5.552 8.677 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.253 5.585 6.909 1.00 13.90 H new ATOM 718 N PHE A 45 1.995 3.289 7.137 1.00 6.75 N ATOM 719 CA PHE A 45 3.194 2.623 7.554 1.00 4.70 C ATOM 720 C PHE A 45 3.852 3.558 8.589 1.00 6.34 C ATOM 721 O PHE A 45 3.952 4.749 8.338 1.00 5.45 O ATOM 722 CB PHE A 45 4.130 2.238 6.404 1.00 5.51 C ATOM 723 CG PHE A 45 5.507 1.690 6.779 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.598 0.373 7.323 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.682 2.450 6.532 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.851 -0.058 7.777 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.891 1.891 6.818 1.00 6.64 C ATOM 728 CZ PHE A 45 7.962 0.621 7.486 1.00 6.84 C ATOM 0 H PHE A 45 2.039 4.308 7.132 1.00 6.75 H new ATOM 0 HA PHE A 45 2.956 1.654 7.992 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.624 1.491 5.792 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.276 3.118 5.778 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.731 -0.268 7.382 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.618 3.449 6.126 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.919 -0.956 8.373 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.800 2.405 6.541 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.925 0.212 7.755 1.00 6.84 H new ATOM 738 N ALA A 46 4.358 3.004 9.730 1.00 6.53 N ATOM 739 CA ALA A 46 5.261 3.717 10.579 1.00 7.15 C ATOM 740 C ALA A 46 4.737 5.055 11.192 1.00 9.00 C ATOM 741 O ALA A 46 5.479 6.034 11.266 1.00 11.15 O ATOM 742 CB ALA A 46 6.607 3.887 9.898 1.00 8.99 C ATOM 0 H ALA A 46 4.134 2.063 10.052 1.00 6.53 H new ATOM 0 HA ALA A 46 5.370 3.082 11.458 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.282 4.432 10.558 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.029 2.907 9.676 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.478 4.445 8.971 1.00 8.99 H new ATOM 748 N GLY A 47 3.406 5.088 11.560 1.00 9.35 N ATOM 749 CA GLY A 47 2.767 6.282 12.046 1.00 11.68 C ATOM 750 C GLY A 47 2.376 7.276 10.988 1.00 11.14 C ATOM 751 O GLY A 47 1.901 8.377 11.345 1.00 13.93 O ATOM 0 H GLY A 47 2.789 4.277 11.514 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.873 5.996 12.601 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.438 6.772 12.752 1.00 11.68 H new ATOM 755 N LYS A 48 2.552 6.995 9.710 1.00 10.47 N ATOM 756 CA LYS A 48 2.233 7.944 8.625 1.00 8.82 C ATOM 757 C LYS A 48 1.370 7.278 7.541 1.00 7.68 C ATOM 758 O LYS A 48 1.068 6.064 7.558 1.00 6.47 O ATOM 759 CB LYS A 48 3.591 8.326 7.915 1.00 9.74 C ATOM 760 CG LYS A 48 4.605 9.013 8.874 1.00 14.14 C ATOM 761 CD LYS A 48 5.785 9.386 7.927 1.00 16.32 C ATOM 762 CE LYS A 48 6.964 10.165 8.602 1.00 20.04 C ATOM 763 NZ LYS A 48 8.107 10.332 7.648 1.00 23.92 N ATOM 0 H LYS A 48 2.921 6.103 9.380 1.00 10.47 H new ATOM 0 HA LYS A 48 1.707 8.797 9.054 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.044 7.425 7.501 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.382 8.992 7.078 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.176 9.894 9.351 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.924 8.342 9.672 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.181 8.470 7.488 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.395 9.989 7.107 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.616 11.143 8.935 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.300 9.628 9.489 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.877 10.851 8.116 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.451 9.396 7.351 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.788 10.865 6.814 1.00 23.92 H new ATOM 777 N GLN A 49 0.931 8.083 6.602 1.00 8.89 N ATOM 778 CA GLN A 49 -0.055 7.757 5.591 1.00 7.18 C ATOM 779 C GLN A 49 0.658 8.029 4.293 1.00 8.23 C ATOM 780 O GLN A 49 1.410 9.016 4.149 1.00 9.70 O ATOM 781 CB GLN A 49 -1.293 8.639 5.890 1.00 11.67 C ATOM 782 CG GLN A 49 -2.541 8.481 5.019 1.00 15.82 C ATOM 783 CD GLN A 49 -3.689 9.276 5.519 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.137 8.988 6.639 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.229 10.235 4.724 1.00 20.67 N ATOM 0 H GLN A 49 1.271 9.041 6.516 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.428 6.733 5.561 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.587 8.455 6.923 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.978 9.681 5.829 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.309 8.787 3.999 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.822 7.429 4.980 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.819 10.431 3.811 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.045 10.760 5.040 1.00 20.67 H new ATOM 794 N LEU A 50 0.562 7.125 3.340 1.00 6.51 N ATOM 795 CA LEU A 50 1.337 7.165 2.109 1.00 7.41 C ATOM 796 C LEU A 50 0.662 7.942 1.111 1.00 8.27 C ATOM 797 O LEU A 50 -0.595 8.094 1.018 1.00 8.34 O ATOM 798 CB LEU A 50 1.633 5.720 1.553 1.00 7.13 C ATOM 799 CG LEU A 50 2.185 4.769 2.657 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.641 3.439 2.133 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.313 5.373 3.469 1.00 9.11 C ATOM 0 H LEU A 50 -0.068 6.325 3.397 1.00 6.51 H new ATOM 0 HA LEU A 50 2.291 7.636 2.346 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.719 5.298 1.136 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.354 5.786 0.738 1.00 7.13 H new ATOM 0 HG LEU A 50 1.322 4.617 3.306 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.012 2.831 2.958 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.804 2.930 1.655 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.438 3.589 1.405 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.647 4.655 4.218 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.144 5.622 2.809 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.960 6.277 3.965 1.00 9.11 H new ATOM 813 N GLU A 51 1.513 8.533 0.225 1.00 9.43 N ATOM 814 CA GLU A 51 1.109 9.308 -0.915 1.00 11.90 C ATOM 815 C GLU A 51 1.618 8.644 -2.197 1.00 11.49 C ATOM 816 O GLU A 51 2.689 8.141 -2.277 1.00 9.88 O ATOM 817 CB GLU A 51 1.711 10.759 -0.790 1.00 16.56 C ATOM 818 CG GLU A 51 1.165 11.674 -1.915 1.00 26.06 C ATOM 819 CD GLU A 51 1.752 13.068 -1.770 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.882 13.431 -2.257 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.110 13.892 -1.087 1.00 33.44 O ATOM 0 H GLU A 51 2.527 8.462 0.315 1.00 9.43 H new ATOM 0 HA GLU A 51 0.021 9.365 -0.954 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.460 11.180 0.183 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.799 10.714 -0.846 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.422 11.260 -2.890 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.077 11.720 -1.864 1.00 26.06 H new ATOM 828 N ASP A 52 0.711 8.662 -3.235 1.00 12.71 N ATOM 829 CA ASP A 52 0.657 7.896 -4.401 1.00 16.56 C ATOM 830 C ASP A 52 1.889 8.058 -5.344 1.00 15.83 C ATOM 831 O ASP A 52 2.393 7.073 -5.869 1.00 17.21 O ATOM 832 CB ASP A 52 -0.590 8.404 -5.187 1.00 21.05 C ATOM 833 CG ASP A 52 -1.718 8.291 -4.234 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.363 7.232 -4.177 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.978 9.287 -3.531 1.00 25.82 O ATOM 0 H ASP A 52 -0.070 9.318 -3.207 1.00 12.71 H new ATOM 0 HA ASP A 52 0.626 6.847 -4.108 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.455 9.434 -5.518 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.766 7.803 -6.079 1.00 21.05 H new ATOM 840 N GLY A 53 2.355 9.307 -5.615 1.00 15.00 N ATOM 841 CA GLY A 53 3.512 9.595 -6.467 1.00 11.77 C ATOM 842 C GLY A 53 4.854 9.279 -5.826 1.00 11.10 C ATOM 843 O GLY A 53 5.863 9.219 -6.494 1.00 11.25 O ATOM 0 H GLY A 53 1.920 10.148 -5.235 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.420 9.023 -7.390 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.493 10.650 -6.742 1.00 11.77 H new ATOM 847 N ARG A 54 4.896 9.062 -4.484 1.00 8.53 N ATOM 848 CA ARG A 54 6.126 8.759 -3.773 1.00 9.05 C ATOM 849 C ARG A 54 6.349 7.272 -3.883 1.00 8.96 C ATOM 850 O ARG A 54 5.529 6.447 -4.304 1.00 11.60 O ATOM 851 CB ARG A 54 6.155 9.297 -2.377 1.00 7.97 C ATOM 852 CG ARG A 54 5.348 10.653 -2.240 1.00 9.62 C ATOM 853 CD ARG A 54 5.897 11.488 -1.046 1.00 12.20 C ATOM 854 NE ARG A 54 4.957 12.636 -0.849 1.00 18.23 N ATOM 855 CZ ARG A 54 4.750 13.150 0.405 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.635 12.996 1.390 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.658 13.882 0.573 1.00 23.38 N ATOM 0 H ARG A 54 4.071 9.096 -3.885 1.00 8.53 H new ATOM 0 HA ARG A 54 6.968 9.277 -4.232 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.736 8.557 -1.696 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.189 9.460 -2.074 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.429 11.228 -3.163 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.290 10.441 -2.089 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.957 10.879 -0.144 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.905 11.846 -1.256 1.00 12.20 H new ATOM 0 HE ARG A 54 4.469 13.037 -1.650 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.500 12.482 1.223 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.447 13.392 2.311 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.023 14.037 -0.210 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.453 14.290 1.485 1.00 23.38 H new ATOM 871 N THR A 55 7.577 6.858 -3.573 1.00 9.05 N ATOM 872 CA THR A 55 8.186 5.536 -3.640 1.00 9.03 C ATOM 873 C THR A 55 8.252 4.781 -2.375 1.00 8.15 C ATOM 874 O THR A 55 8.266 5.298 -1.225 1.00 5.91 O ATOM 875 CB THR A 55 9.449 5.335 -4.400 1.00 11.15 C ATOM 876 OG1 THR A 55 10.590 6.002 -3.801 1.00 11.95 O ATOM 877 CG2 THR A 55 9.234 5.957 -5.806 1.00 11.71 C ATOM 0 H THR A 55 8.255 7.535 -3.223 1.00 9.05 H new ATOM 0 HA THR A 55 7.412 5.112 -4.280 1.00 9.03 H new ATOM 0 HB THR A 55 9.665 4.267 -4.419 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.453 6.972 -3.828 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.139 5.832 -6.401 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.402 5.457 -6.302 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.010 7.019 -5.704 1.00 11.71 H new ATOM 885 N LEU A 56 8.547 3.409 -2.554 1.00 6.91 N ATOM 886 CA LEU A 56 8.893 2.570 -1.451 1.00 8.29 C ATOM 887 C LEU A 56 10.181 3.005 -0.695 1.00 8.05 C ATOM 888 O LEU A 56 10.205 3.010 0.549 1.00 10.17 O ATOM 889 CB LEU A 56 8.928 1.111 -1.928 1.00 6.60 C ATOM 890 CG LEU A 56 7.502 0.486 -2.273 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.651 -0.688 -3.247 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.720 0.035 -1.034 1.00 8.64 C ATOM 0 H LEU A 56 8.534 2.936 -3.457 1.00 6.91 H new ATOM 0 HA LEU A 56 8.118 2.676 -0.691 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.561 1.048 -2.813 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.399 0.502 -1.156 1.00 6.60 H new ATOM 0 HG LEU A 56 6.926 1.286 -2.739 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.668 -1.102 -3.471 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.116 -0.339 -4.169 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.275 -1.459 -2.795 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.760 -0.380 -1.341 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.290 -0.725 -0.501 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.553 0.890 -0.378 1.00 8.64 H new ATOM 904 N SER A 57 11.305 3.533 -1.368 1.00 8.92 N ATOM 905 CA SER A 57 12.467 3.864 -0.644 1.00 9.00 C ATOM 906 C SER A 57 12.400 5.277 -0.059 1.00 9.44 C ATOM 907 O SER A 57 13.261 5.748 0.724 1.00 10.91 O ATOM 908 CB SER A 57 13.729 3.740 -1.461 1.00 10.32 C ATOM 909 OG SER A 57 13.592 4.477 -2.692 1.00 13.59 O ATOM 0 H SER A 57 11.355 3.704 -2.372 1.00 8.92 H new ATOM 0 HA SER A 57 12.506 3.135 0.166 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.579 4.119 -0.893 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.932 2.691 -1.676 1.00 10.32 H new ATOM 0 HG SER A 57 14.415 4.393 -3.217 1.00 13.59 H new ATOM 915 N ASP A 58 11.390 6.077 -0.457 1.00 9.11 N ATOM 916 CA ASP A 58 11.193 7.419 0.185 1.00 7.91 C ATOM 917 C ASP A 58 10.659 7.258 1.573 1.00 9.12 C ATOM 918 O ASP A 58 11.031 7.915 2.518 1.00 8.61 O ATOM 919 CB ASP A 58 10.156 8.234 -0.603 1.00 8.41 C ATOM 920 CG ASP A 58 10.661 8.594 -1.951 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.853 9.064 -2.133 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.891 8.402 -2.913 1.00 10.05 O ATOM 0 H ASP A 58 10.717 5.843 -1.187 1.00 9.11 H new ATOM 0 HA ASP A 58 12.159 7.924 0.199 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.236 7.658 -0.699 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.908 9.141 -0.051 1.00 8.41 H new ATOM 927 N TYR A 59 9.678 6.338 1.724 1.00 7.97 N ATOM 928 CA TYR A 59 9.039 6.049 2.973 1.00 8.45 C ATOM 929 C TYR A 59 9.635 4.922 3.746 1.00 10.98 C ATOM 930 O TYR A 59 9.054 4.498 4.794 1.00 12.95 O ATOM 931 CB TYR A 59 7.543 5.669 2.582 1.00 7.94 C ATOM 932 CG TYR A 59 6.654 6.827 2.209 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.436 7.773 3.262 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.980 6.934 0.990 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.470 8.772 3.066 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.016 7.921 0.846 1.00 6.52 C ATOM 937 CZ TYR A 59 4.855 8.892 1.826 1.00 6.76 C ATOM 938 OH TYR A 59 4.013 10.066 1.519 1.00 7.63 O ATOM 0 H TYR A 59 9.321 5.779 0.949 1.00 7.97 H new ATOM 0 HA TYR A 59 9.141 6.915 3.627 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.571 4.971 1.745 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.090 5.142 3.421 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.000 7.719 4.182 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.205 6.261 0.176 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.207 9.441 3.872 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.388 7.934 -0.032 1.00 6.52 H new ATOM 0 HH TYR A 59 4.339 10.842 2.020 1.00 7.63 H new ATOM 948 N ASN A 60 10.806 4.446 3.364 1.00 12.38 N ATOM 949 CA ASN A 60 11.606 3.476 4.120 1.00 13.94 C ATOM 950 C ASN A 60 11.075 2.100 4.148 1.00 14.16 C ATOM 951 O ASN A 60 11.027 1.380 5.130 1.00 14.26 O ATOM 952 CB ASN A 60 12.096 4.023 5.521 1.00 19.23 C ATOM 953 CG ASN A 60 13.033 5.293 5.315 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.628 6.460 5.275 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.297 5.012 5.054 1.00 24.09 N ATOM 0 H ASN A 60 11.249 4.729 2.490 1.00 12.38 H new ATOM 0 HA ASN A 60 12.513 3.363 3.527 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.237 4.291 6.136 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.639 3.243 6.055 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.948 5.761 4.817 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.623 4.046 5.089 1.00 24.09 H new ATOM 962 N ILE A 61 10.639 1.659 2.991 1.00 11.08 N ATOM 963 CA ILE A 61 9.932 0.408 2.896 1.00 11.78 C ATOM 964 C ILE A 61 10.972 -0.519 2.183 1.00 13.74 C ATOM 965 O ILE A 61 11.610 -0.206 1.133 1.00 14.60 O ATOM 966 CB ILE A 61 8.537 0.498 2.274 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.635 1.562 2.974 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.835 -0.903 2.400 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.472 2.022 2.059 1.00 11.42 C ATOM 0 H ILE A 61 10.762 2.149 2.105 1.00 11.08 H new ATOM 0 HA ILE A 61 9.636 0.001 3.863 1.00 11.78 H new ATOM 0 HB ILE A 61 8.662 0.797 1.233 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.229 1.145 3.896 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.240 2.424 3.254 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.839 -0.852 1.960 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.425 -1.654 1.875 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.753 -1.176 3.452 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.868 2.762 2.583 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.878 2.463 1.149 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.851 1.164 1.801 1.00 11.42 H new ATOM 981 N GLN A 62 11.172 -1.666 2.801 1.00 13.97 N ATOM 982 CA GLN A 62 12.233 -2.642 2.501 1.00 15.52 C ATOM 983 C GLN A 62 11.675 -4.017 2.205 1.00 13.94 C ATOM 984 O GLN A 62 10.474 -4.336 2.311 1.00 12.15 O ATOM 985 CB GLN A 62 13.155 -2.871 3.652 1.00 19.53 C ATOM 986 CG GLN A 62 14.103 -1.653 3.918 1.00 26.38 C ATOM 987 CD GLN A 62 15.166 -1.797 4.942 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.356 -1.836 4.618 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.826 -1.904 6.222 1.00 32.71 N ATOM 0 H GLN A 62 10.574 -1.970 3.569 1.00 13.97 H new ATOM 0 HA GLN A 62 12.750 -2.204 1.647 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.568 -3.072 4.548 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.757 -3.759 3.459 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.584 -1.394 2.975 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.481 -0.804 4.202 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.843 -1.872 6.493 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.548 -2.018 6.934 1.00 32.71 H new ATOM 998 N LYS A 63 12.540 -4.868 1.786 1.00 11.73 N ATOM 999 CA LYS A 63 12.334 -6.321 1.687 1.00 11.97 C ATOM 1000 C LYS A 63 11.721 -7.000 2.952 1.00 10.41 C ATOM 1001 O LYS A 63 12.122 -6.888 4.120 1.00 9.59 O ATOM 1002 CB LYS A 63 13.568 -7.098 1.194 1.00 13.73 C ATOM 1003 CG LYS A 63 14.638 -7.266 2.251 1.00 16.98 C ATOM 1004 CD LYS A 63 15.899 -7.708 1.613 1.00 20.19 C ATOM 1005 CE LYS A 63 17.006 -7.981 2.707 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.244 -8.492 2.081 1.00 25.97 N ATOM 0 H LYS A 63 13.470 -4.584 1.479 1.00 11.73 H new ATOM 0 HA LYS A 63 11.571 -6.388 0.912 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.253 -8.082 0.848 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.995 -6.579 0.336 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.795 -6.324 2.777 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.318 -7.997 2.994 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.722 -8.613 1.032 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.248 -6.946 0.916 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.221 -7.062 3.252 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.635 -8.703 3.434 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.959 -8.665 2.816 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.039 -9.381 1.581 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.606 -7.790 1.404 1.00 25.97 H new ATOM 1020 N GLU A 64 10.568 -7.695 2.698 1.00 10.04 N ATOM 1021 CA GLU A 64 9.731 -8.303 3.785 1.00 10.94 C ATOM 1022 C GLU A 64 9.146 -7.386 4.818 1.00 9.74 C ATOM 1023 O GLU A 64 8.891 -7.761 5.999 1.00 9.42 O ATOM 1024 CB GLU A 64 10.288 -9.598 4.470 1.00 18.31 C ATOM 1025 CG GLU A 64 10.649 -10.803 3.555 1.00 24.16 C ATOM 1026 CD GLU A 64 11.224 -11.973 4.345 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.110 -11.665 5.219 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.823 -13.138 4.087 1.00 32.61 O ATOM 0 H GLU A 64 10.200 -7.847 1.759 1.00 10.04 H new ATOM 0 HA GLU A 64 8.900 -8.605 3.148 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.182 -9.323 5.030 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.549 -9.938 5.196 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.758 -11.131 3.020 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.372 -10.483 2.804 1.00 24.16 H new ATOM 1035 N SER A 65 8.875 -6.137 4.419 1.00 6.85 N ATOM 1036 CA SER A 65 8.136 -5.212 5.273 1.00 6.90 C ATOM 1037 C SER A 65 6.624 -5.472 5.246 1.00 4.72 C ATOM 1038 O SER A 65 6.058 -5.888 4.235 1.00 3.91 O ATOM 1039 CB SER A 65 8.461 -3.707 4.903 1.00 7.28 C ATOM 1040 OG SER A 65 7.988 -2.901 5.982 1.00 10.56 O ATOM 0 H SER A 65 9.155 -5.751 3.518 1.00 6.85 H new ATOM 0 HA SER A 65 8.471 -5.392 6.295 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.532 -3.568 4.759 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.974 -3.426 3.969 1.00 7.28 H new ATOM 0 HG SER A 65 8.173 -1.958 5.791 1.00 10.56 H new ATOM 1046 N THR A 66 5.988 -5.214 6.400 1.00 4.48 N ATOM 1047 CA THR A 66 4.515 -5.203 6.455 1.00 3.80 C ATOM 1048 C THR A 66 3.963 -3.808 6.358 1.00 4.60 C ATOM 1049 O THR A 66 4.450 -2.906 7.035 1.00 5.33 O ATOM 1050 CB THR A 66 3.992 -5.783 7.751 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.465 -7.080 7.899 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.480 -5.841 7.732 1.00 3.40 C ATOM 0 H THR A 66 6.454 -5.015 7.285 1.00 4.48 H new ATOM 0 HA THR A 66 4.193 -5.807 5.607 1.00 3.80 H new ATOM 0 HB THR A 66 4.329 -5.149 8.571 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.129 -7.457 8.739 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.120 -6.261 8.671 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.079 -4.835 7.607 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.150 -6.469 6.904 1.00 3.40 H new ATOM 1060 N LEU A 67 2.986 -3.606 5.437 1.00 4.17 N ATOM 1061 CA LEU A 67 2.374 -2.313 5.196 1.00 3.85 C ATOM 1062 C LEU A 67 0.875 -2.433 5.585 1.00 3.80 C ATOM 1063 O LEU A 67 0.193 -3.321 5.131 1.00 5.54 O ATOM 1064 CB LEU A 67 2.468 -2.036 3.704 1.00 7.18 C ATOM 1065 CG LEU A 67 3.861 -1.613 3.142 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.669 -0.994 1.748 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.613 -0.578 3.986 1.00 11.66 C ATOM 0 H LEU A 67 2.613 -4.351 4.848 1.00 4.17 H new ATOM 0 HA LEU A 67 2.859 -1.520 5.765 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.148 -2.933 3.173 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.753 -1.250 3.461 1.00 7.18 H new ATOM 0 HG LEU A 67 4.457 -2.526 3.137 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.637 -0.695 1.346 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.212 -1.727 1.084 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.022 -0.120 1.824 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.568 -0.349 3.514 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.018 0.332 4.061 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.788 -0.980 4.984 1.00 11.66 H new ATOM 1079 N HIS A 68 0.372 -1.650 6.486 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.023 -1.691 6.882 1.00 4.17 C ATOM 1081 C HIS A 68 -1.908 -0.942 5.845 1.00 5.32 C ATOM 1082 O HIS A 68 -1.616 0.183 5.366 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.130 -0.980 8.245 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.521 -1.957 9.268 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.783 -1.856 9.770 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.000 -3.128 9.837 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.983 -2.876 10.628 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.021 -3.710 10.719 1.00 16.30 N ATOM 0 H HIS A 68 0.919 -0.947 6.983 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.367 -2.724 6.941 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.590 -0.033 8.237 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.168 -0.753 8.489 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.976 -3.547 9.644 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.896 -2.995 11.193 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.093 -4.561 11.276 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.974 -1.598 5.439 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.082 -1.211 4.559 1.00 3.97 C ATOM 1098 C LEU A 69 -5.329 -1.033 5.320 1.00 5.07 C ATOM 1099 O LEU A 69 -5.710 -1.837 6.186 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.282 -2.340 3.528 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.401 -2.264 2.519 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.243 -0.995 1.695 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.229 -3.491 1.615 1.00 9.96 C ATOM 0 H LEU A 69 -3.112 -2.556 5.761 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.842 -0.265 4.074 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.351 -2.435 2.970 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.414 -3.267 4.087 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.383 -2.247 2.993 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.049 -0.934 0.963 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.283 -0.127 2.353 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.284 -1.014 1.178 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.012 -3.497 0.857 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.254 -3.451 1.129 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.298 -4.398 2.216 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.022 0.013 4.947 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.346 0.316 5.468 1.00 6.26 C ATOM 1117 C VAL A 70 -8.273 0.498 4.300 1.00 9.22 C ATOM 1118 O VAL A 70 -8.062 1.341 3.401 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.251 1.604 6.261 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.694 2.144 6.584 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.556 1.235 7.557 1.00 8.54 C ATOM 0 H VAL A 70 -5.685 0.692 4.264 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.719 -0.483 6.109 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.715 2.376 5.709 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.617 3.070 7.154 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.228 2.335 5.653 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.238 1.402 7.169 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.454 2.123 8.181 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.146 0.486 8.086 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.568 0.830 7.338 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.371 -0.250 4.316 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.413 -0.073 3.282 1.00 16.06 C ATOM 1133 C LEU A 71 -11.080 1.276 3.633 1.00 18.09 C ATOM 1134 O LEU A 71 -11.548 1.527 4.788 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.446 -1.194 3.377 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.407 -1.404 2.169 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.524 -0.371 2.035 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.678 -1.553 0.842 1.00 19.57 C ATOM 0 H LEU A 71 -9.571 -0.970 5.010 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.001 -0.093 2.273 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.911 -2.129 3.545 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.056 -1.013 4.262 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.891 -2.350 2.414 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.136 -0.607 1.164 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.145 -0.389 2.930 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.089 0.621 1.915 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.404 -1.696 0.042 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.094 -0.654 0.645 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.013 -2.415 0.887 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.043 2.246 2.673 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.522 3.601 2.863 1.00 25.83 C ATOM 1152 C ARG A 72 -12.934 3.727 2.405 1.00 27.74 C ATOM 1153 O ARG A 72 -13.179 3.739 1.172 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.634 4.594 2.132 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.115 6.033 2.218 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.230 6.999 1.392 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.675 8.359 1.744 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.081 9.391 1.125 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.000 9.177 0.337 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.492 10.650 1.329 1.00 35.02 N ATOM 0 H ARG A 72 -10.669 2.080 1.739 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.484 3.829 3.928 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.626 4.534 2.541 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.570 4.305 1.083 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.144 6.092 1.862 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.120 6.350 3.261 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.175 6.860 1.628 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.344 6.815 0.324 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.410 8.511 2.435 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.638 8.232 0.214 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.549 9.961 -0.133 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.268 10.837 1.964 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.028 11.422 0.850 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.885 3.981 3.307 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.252 4.453 3.054 1.00 30.76 C ATOM 1176 C LEU A 73 -15.319 5.705 3.828 1.00 32.18 C ATOM 1177 O LEU A 73 -14.668 5.904 4.856 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.410 3.607 3.519 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.406 2.199 2.989 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.631 1.467 3.439 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.183 1.966 1.440 1.00 29.11 C ATOM 0 H LEU A 73 -13.710 3.854 4.304 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.378 4.488 1.972 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.403 3.572 4.608 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.340 4.091 3.221 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.492 1.797 3.427 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.612 0.450 3.047 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.656 1.435 4.528 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.518 1.982 3.070 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.208 0.898 1.225 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.972 2.468 0.879 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.215 2.372 1.147 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.966 6.660 3.193 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.876 8.116 3.405 1.00 35.33 C ATOM 1195 C ARG A 74 -16.946 8.648 4.390 1.00 36.22 C ATOM 1196 O ARG A 74 -16.956 9.813 4.682 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.894 8.808 2.001 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.553 8.422 1.287 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.333 9.174 0.017 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.148 8.615 -0.717 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.338 9.239 -1.619 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.523 10.476 -1.983 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -11.357 8.582 -2.186 1.00 41.93 N ATOM 0 H ARG A 74 -16.627 6.434 2.450 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.938 8.364 3.902 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.752 8.475 1.417 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.979 9.890 2.105 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -13.720 8.611 1.964 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.555 7.353 1.074 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.222 9.111 -0.611 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.171 10.230 0.234 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.919 7.642 -0.514 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.296 11.013 -1.590 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.895 10.908 -2.661 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -11.198 7.602 -1.953 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -10.752 9.051 -2.861 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.745 7.706 5.019 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.494 7.990 6.214 1.00 36.07 C ATOM 1219 C GLY A 75 -17.730 7.701 7.519 1.00 36.16 C ATOM 1220 O GLY A 75 -18.274 7.948 8.598 1.00 36.26 O ATOM 0 H GLY A 75 -17.857 6.751 4.680 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.790 9.039 6.204 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.411 7.400 6.204 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.450 7.290 7.436 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.712 7.124 8.723 1.00 36.19 C ATOM 1226 C GLY A 76 -14.272 6.629 8.496 1.00 36.20 C ATOM 1227 O GLY A 76 -13.993 5.440 8.100 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.311 7.427 8.754 1.00 0.00 O ATOM 0 H GLY A 76 -15.935 7.081 6.581 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.690 8.075 9.255 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.244 6.416 9.358 1.00 36.19 H new TER 1232 GLY A 76