USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 141:sc= 1.23 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.05 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 130:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 160:sc= 0 (180deg=-0.53) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.37 (180deg=2.06) USER MOD Single : A 2 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 7 THR OG1 : rot -61:sc= 0.0286 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.18) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.531) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -0.828 X(o=-0.83,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 41 GLN : amide:sc= 0.0744 K(o=0.074,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0.423 (180deg=0.0572) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.406 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.35) 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 -130:sc= 0.319 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.68 K(o=-0.68,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.111 -7.531 -5.082 1.00 9.67 N ATOM 2 CA MET A 1 11.129 -7.476 -3.623 1.00 10.38 C ATOM 3 C MET A 1 9.778 -7.847 -3.024 1.00 9.62 C ATOM 4 O MET A 1 8.743 -7.409 -3.539 1.00 9.62 O ATOM 5 CB MET A 1 11.602 -6.008 -3.255 1.00 13.77 C ATOM 6 CG MET A 1 11.953 -5.695 -1.797 1.00 16.29 C ATOM 7 SD MET A 1 12.433 -3.983 -1.567 1.00 17.17 S ATOM 8 CE MET A 1 10.825 -3.157 -1.542 1.00 16.11 C ATOM 0 H1 MET A 1 12.081 -7.440 -5.445 1.00 9.67 H new ATOM 0 H2 MET A 1 10.710 -8.440 -5.390 1.00 9.67 H new ATOM 0 H3 MET A 1 10.529 -6.753 -5.452 1.00 9.67 H new ATOM 0 HA MET A 1 11.813 -8.210 -3.197 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.478 -5.780 -3.863 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.814 -5.320 -3.561 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.095 -5.918 -1.163 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.766 -6.345 -1.473 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.924 -2.182 -1.065 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.467 -3.026 -2.563 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.113 -3.764 -0.983 1.00 16.11 H new ATOM 20 N GLN A 2 9.754 -8.668 -1.963 1.00 9.27 N ATOM 21 CA GLN A 2 8.534 -9.025 -1.278 1.00 9.07 C ATOM 22 C GLN A 2 8.178 -8.018 -0.201 1.00 8.72 C ATOM 23 O GLN A 2 9.017 -7.529 0.549 1.00 8.22 O ATOM 24 CB GLN A 2 8.700 -10.486 -0.801 1.00 14.46 C ATOM 25 CG GLN A 2 7.491 -11.312 -0.346 1.00 17.01 C ATOM 26 CD GLN A 2 8.013 -12.713 0.028 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.755 -12.999 0.974 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.450 -13.680 -0.712 1.00 19.49 N ATOM 0 H GLN A 2 10.590 -9.096 -1.566 1.00 9.27 H new ATOM 0 HA GLN A 2 7.666 -8.984 -1.936 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.173 -11.035 -1.615 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.407 -10.472 0.028 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.003 -10.842 0.508 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.748 -11.377 -1.141 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.839 -13.435 -1.491 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.633 -14.660 -0.496 1.00 19.49 H new ATOM 37 N ILE A 3 6.927 -7.670 -0.133 1.00 5.87 N ATOM 38 CA ILE A 3 6.302 -6.900 0.962 1.00 5.07 C ATOM 39 C ILE A 3 5.057 -7.672 1.420 1.00 4.01 C ATOM 40 O ILE A 3 4.487 -8.468 0.743 1.00 4.61 O ATOM 41 CB ILE A 3 6.082 -5.349 0.605 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.157 -5.133 -0.614 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.484 -4.693 0.615 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.688 -3.671 -0.852 1.00 10.83 C ATOM 0 H ILE A 3 6.260 -7.916 -0.865 1.00 5.87 H new ATOM 0 HA ILE A 3 6.976 -6.824 1.815 1.00 5.07 H new ATOM 0 HB ILE A 3 5.492 -4.815 1.350 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.677 -5.478 -1.507 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.276 -5.763 -0.495 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.392 -3.633 0.377 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.931 -4.806 1.603 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.118 -5.177 -0.128 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.045 -3.634 -1.731 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.133 -3.321 0.018 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.556 -3.032 -1.010 1.00 10.83 H new ATOM 56 N PHE A 4 4.662 -7.382 2.665 1.00 4.55 N ATOM 57 CA PHE A 4 3.490 -7.932 3.390 1.00 4.68 C ATOM 58 C PHE A 4 2.543 -6.769 3.652 1.00 5.30 C ATOM 59 O PHE A 4 2.906 -5.772 4.235 1.00 5.58 O ATOM 60 CB PHE A 4 3.881 -8.679 4.645 1.00 4.83 C ATOM 61 CG PHE A 4 4.605 -9.950 4.130 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.928 -10.921 3.380 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.949 -10.108 4.424 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.611 -12.083 2.965 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.700 -11.210 3.910 1.00 10.61 C ATOM 66 CZ PHE A 4 6.059 -12.213 3.202 1.00 8.90 C ATOM 0 H PHE A 4 5.179 -6.715 3.238 1.00 4.55 H new ATOM 0 HA PHE A 4 2.988 -8.687 2.785 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.535 -8.078 5.277 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.007 -8.935 5.243 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.889 -10.780 3.121 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.440 -9.383 5.055 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.072 -12.879 2.473 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.766 -11.261 4.074 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.606 -13.068 2.833 1.00 8.90 H new ATOM 76 N VAL A 5 1.226 -6.888 3.320 1.00 4.44 N ATOM 77 CA VAL A 5 0.202 -5.885 3.451 1.00 3.87 C ATOM 78 C VAL A 5 -0.884 -6.301 4.362 1.00 4.93 C ATOM 79 O VAL A 5 -1.726 -7.061 3.995 1.00 6.84 O ATOM 80 CB VAL A 5 -0.322 -5.307 2.118 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.412 -4.289 2.358 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.717 -4.628 1.240 1.00 9.13 C ATOM 0 H VAL A 5 0.858 -7.756 2.931 1.00 4.44 H new ATOM 0 HA VAL A 5 0.708 -5.042 3.922 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.679 -6.192 1.591 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.762 -3.899 1.402 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.242 -4.762 2.883 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.019 -3.471 2.962 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.241 -4.260 0.331 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.161 -3.793 1.781 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.495 -5.344 0.977 1.00 9.13 H new ATOM 92 N LYS A 6 -0.959 -5.803 5.657 1.00 6.04 N ATOM 93 CA LYS A 6 -2.084 -6.135 6.563 1.00 6.12 C ATOM 94 C LYS A 6 -3.391 -5.402 6.119 1.00 6.57 C ATOM 95 O LYS A 6 -3.506 -4.197 6.180 1.00 5.76 O ATOM 96 CB LYS A 6 -1.685 -5.854 7.992 1.00 7.45 C ATOM 97 CG LYS A 6 -0.326 -6.460 8.499 1.00 11.12 C ATOM 98 CD LYS A 6 -0.298 -7.997 8.533 1.00 14.54 C ATOM 99 CE LYS A 6 1.129 -8.527 8.805 1.00 18.84 C ATOM 100 NZ LYS A 6 1.165 -10.028 8.824 1.00 20.55 N ATOM 0 H LYS A 6 -0.259 -5.186 6.068 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.310 -7.199 6.501 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.640 -4.773 8.122 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.480 -6.221 8.641 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.480 -6.107 7.855 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.123 -6.081 9.501 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.976 -8.358 9.306 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.660 -8.391 7.583 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.808 -8.156 8.038 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.485 -8.141 9.760 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.153 -10.351 8.856 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.659 -10.377 9.663 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.708 -10.397 7.966 1.00 20.55 H new ATOM 114 N THR A 7 -4.449 -6.180 5.890 1.00 7.41 N ATOM 115 CA THR A 7 -5.693 -5.772 5.513 1.00 7.48 C ATOM 116 C THR A 7 -6.666 -5.635 6.647 1.00 8.75 C ATOM 117 O THR A 7 -6.530 -6.262 7.688 1.00 8.58 O ATOM 118 CB THR A 7 -6.305 -6.411 4.326 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.837 -7.630 4.671 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.180 -6.627 3.298 1.00 9.17 C ATOM 0 H THR A 7 -4.393 -7.194 5.988 1.00 7.41 H new ATOM 0 HA THR A 7 -5.460 -4.770 5.152 1.00 7.48 H new ATOM 0 HB THR A 7 -7.100 -5.785 3.922 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.126 -8.214 5.008 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.589 -7.098 2.404 1.00 9.17 H new ATOM 0 HG22 THR A 7 -4.740 -5.666 3.033 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.413 -7.271 3.728 1.00 9.17 H new ATOM 128 N LEU A 8 -7.773 -4.865 6.370 1.00 9.84 N ATOM 129 CA LEU A 8 -8.748 -4.455 7.339 1.00 14.15 C ATOM 130 C LEU A 8 -9.363 -5.621 8.128 1.00 17.37 C ATOM 131 O LEU A 8 -9.610 -5.519 9.343 1.00 17.01 O ATOM 132 CB LEU A 8 -9.872 -3.611 6.663 1.00 16.63 C ATOM 133 CG LEU A 8 -11.082 -3.141 7.522 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.693 -2.103 8.597 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.132 -2.475 6.653 1.00 18.59 C ATOM 0 H LEU A 8 -7.980 -4.525 5.431 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.211 -3.842 8.063 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.406 -2.723 6.237 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.266 -4.194 5.831 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.459 -4.045 8.001 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.579 -1.815 9.162 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.957 -2.538 9.273 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.268 -1.222 8.115 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.968 -2.155 7.274 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.696 -1.608 6.156 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.487 -3.183 5.904 1.00 18.59 H new ATOM 147 N THR A 9 -9.546 -6.758 7.460 1.00 18.33 N ATOM 148 CA THR A 9 -10.277 -7.962 7.934 1.00 19.24 C ATOM 149 C THR A 9 -9.413 -9.140 8.053 1.00 19.48 C ATOM 150 O THR A 9 -9.819 -10.267 8.098 1.00 23.14 O ATOM 151 CB THR A 9 -11.506 -8.347 7.077 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.122 -8.430 5.722 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.518 -7.169 7.161 1.00 19.70 C ATOM 0 H THR A 9 -9.173 -6.885 6.519 1.00 18.33 H new ATOM 0 HA THR A 9 -10.634 -7.660 8.919 1.00 19.24 H new ATOM 0 HB THR A 9 -11.921 -9.292 7.428 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.898 -8.676 5.176 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.401 -7.405 6.567 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.810 -7.014 8.200 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.053 -6.262 6.776 1.00 19.70 H new ATOM 161 N GLY A 10 -8.075 -8.862 8.199 1.00 19.43 N ATOM 162 CA GLY A 10 -7.128 -9.806 8.764 1.00 18.74 C ATOM 163 C GLY A 10 -6.294 -10.595 7.812 1.00 17.62 C ATOM 164 O GLY A 10 -5.500 -11.448 8.232 1.00 19.74 O ATOM 0 H GLY A 10 -7.655 -7.975 7.921 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.457 -9.256 9.424 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.683 -10.508 9.387 1.00 18.74 H new ATOM 168 N LYS A 11 -6.371 -10.363 6.481 1.00 13.56 N ATOM 169 CA LYS A 11 -5.557 -11.061 5.566 1.00 11.91 C ATOM 170 C LYS A 11 -4.229 -10.309 5.543 1.00 10.18 C ATOM 171 O LYS A 11 -4.128 -9.106 5.752 1.00 9.10 O ATOM 172 CB LYS A 11 -6.271 -11.074 4.153 1.00 13.43 C ATOM 173 CG LYS A 11 -5.569 -11.962 3.081 1.00 16.69 C ATOM 174 CD LYS A 11 -6.519 -12.171 1.826 1.00 17.92 C ATOM 175 CE LYS A 11 -5.833 -12.984 0.696 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.864 -13.307 -0.330 1.00 21.93 N ATOM 0 H LYS A 11 -7.004 -9.687 6.054 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.389 -12.102 5.841 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.296 -11.423 4.281 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.327 -10.052 3.779 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.637 -11.493 2.765 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.309 -12.928 3.513 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.426 -12.686 2.142 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.823 -11.199 1.438 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.021 -12.409 0.252 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.394 -13.898 1.096 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.440 -13.896 -1.075 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.648 -13.824 0.117 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.225 -12.426 -0.749 1.00 21.93 H new ATOM 190 N THR A 12 -3.105 -10.955 5.264 1.00 9.63 N ATOM 191 CA THR A 12 -1.802 -10.407 4.874 1.00 9.85 C ATOM 192 C THR A 12 -1.610 -10.699 3.381 1.00 11.66 C ATOM 193 O THR A 12 -1.578 -11.838 3.014 1.00 12.33 O ATOM 194 CB THR A 12 -0.542 -10.944 5.545 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.670 -10.834 6.923 1.00 10.91 O ATOM 196 CG2 THR A 12 0.699 -10.190 5.196 1.00 9.63 C ATOM 0 H THR A 12 -3.074 -11.974 5.308 1.00 9.63 H new ATOM 0 HA THR A 12 -1.873 -9.363 5.179 1.00 9.85 H new ATOM 0 HB THR A 12 -0.446 -11.972 5.195 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.451 -11.693 7.341 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.551 -10.633 5.712 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.863 -10.237 4.119 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.590 -9.149 5.501 1.00 9.63 H new ATOM 204 N ILE A 13 -1.439 -9.645 2.530 1.00 10.42 N ATOM 205 CA ILE A 13 -1.200 -9.782 1.076 1.00 11.84 C ATOM 206 C ILE A 13 0.283 -9.909 0.877 1.00 10.55 C ATOM 207 O ILE A 13 1.068 -9.121 1.403 1.00 11.92 O ATOM 208 CB ILE A 13 -1.861 -8.715 0.232 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.218 -8.183 0.810 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.028 -9.292 -1.168 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.877 -7.210 -0.161 1.00 16.46 C ATOM 0 H ILE A 13 -1.465 -8.675 2.844 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.691 -10.683 0.707 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.223 -7.831 0.223 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.889 -9.020 1.004 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.042 -7.688 1.765 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.503 -8.552 -1.812 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.050 -9.552 -1.573 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.650 -10.186 -1.121 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.817 -6.854 0.262 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.213 -6.363 -0.334 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.073 -7.716 -1.106 1.00 16.46 H new ATOM 223 N THR A 14 0.746 -10.967 0.128 1.00 9.39 N ATOM 224 CA THR A 14 2.074 -11.094 -0.333 1.00 9.63 C ATOM 225 C THR A 14 2.148 -10.415 -1.637 1.00 11.20 C ATOM 226 O THR A 14 1.386 -10.760 -2.525 1.00 11.63 O ATOM 227 CB THR A 14 2.421 -12.555 -0.551 1.00 10.38 C ATOM 228 OG1 THR A 14 2.213 -13.382 0.630 1.00 16.30 O ATOM 229 CG2 THR A 14 3.894 -12.707 -0.920 1.00 11.66 C ATOM 0 H THR A 14 0.149 -11.746 -0.150 1.00 9.39 H new ATOM 0 HA THR A 14 2.761 -10.667 0.397 1.00 9.63 H new ATOM 0 HB THR A 14 1.756 -12.886 -1.349 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.452 -14.310 0.426 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.124 -13.762 -1.072 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.098 -12.155 -1.837 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.513 -12.313 -0.114 1.00 11.66 H new ATOM 237 N LEU A 15 3.091 -9.467 -1.788 1.00 8.29 N ATOM 238 CA LEU A 15 3.225 -8.796 -3.107 1.00 9.03 C ATOM 239 C LEU A 15 4.673 -8.810 -3.621 1.00 8.59 C ATOM 240 O LEU A 15 5.554 -9.231 -2.891 1.00 7.79 O ATOM 241 CB LEU A 15 2.938 -7.303 -2.955 1.00 11.08 C ATOM 242 CG LEU A 15 1.423 -6.995 -2.724 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.158 -5.506 -2.428 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.492 -7.335 -3.932 1.00 15.27 C ATOM 0 H LEU A 15 3.740 -9.157 -1.064 1.00 8.29 H new ATOM 0 HA LEU A 15 2.545 -9.325 -3.775 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.515 -6.911 -2.118 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.278 -6.780 -3.849 1.00 11.08 H new ATOM 0 HG LEU A 15 1.188 -7.637 -1.875 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.090 -5.350 -2.276 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.699 -5.212 -1.529 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.497 -4.902 -3.270 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.539 -7.088 -3.678 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.800 -6.756 -4.803 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.564 -8.399 -4.159 1.00 15.27 H new ATOM 256 N GLU A 16 4.844 -8.437 -4.916 1.00 11.04 N ATOM 257 CA GLU A 16 6.123 -8.327 -5.601 1.00 11.50 C ATOM 258 C GLU A 16 6.297 -6.915 -6.175 1.00 10.13 C ATOM 259 O GLU A 16 5.512 -6.457 -6.999 1.00 9.83 O ATOM 260 CB GLU A 16 6.267 -9.424 -6.695 1.00 17.22 C ATOM 261 CG GLU A 16 7.680 -9.611 -7.202 1.00 23.33 C ATOM 262 CD GLU A 16 8.585 -10.182 -6.118 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.205 -11.346 -5.871 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.443 -9.574 -5.493 1.00 28.86 O ATOM 0 H GLU A 16 4.056 -8.200 -5.518 1.00 11.04 H new ATOM 0 HA GLU A 16 6.923 -8.493 -4.880 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.909 -10.372 -6.293 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.622 -9.170 -7.536 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.674 -10.279 -8.063 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.076 -8.654 -7.543 1.00 23.33 H new ATOM 271 N VAL A 17 7.226 -6.165 -5.547 1.00 8.99 N ATOM 272 CA VAL A 17 7.475 -4.779 -5.802 1.00 8.85 C ATOM 273 C VAL A 17 8.941 -4.492 -6.023 1.00 8.04 C ATOM 274 O VAL A 17 9.798 -5.369 -5.730 1.00 8.99 O ATOM 275 CB VAL A 17 6.882 -3.946 -4.570 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.372 -4.108 -4.601 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.494 -4.345 -3.244 1.00 10.54 C ATOM 0 H VAL A 17 7.834 -6.548 -4.823 1.00 8.99 H new ATOM 0 HA VAL A 17 6.982 -4.481 -6.728 1.00 8.85 H new ATOM 0 HB VAL A 17 7.142 -2.892 -4.672 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.929 -3.553 -3.774 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.984 -3.724 -5.544 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.117 -5.164 -4.507 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.054 -3.747 -2.446 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.299 -5.401 -3.056 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.570 -4.174 -3.274 1.00 10.54 H new ATOM 287 N GLU A 18 9.347 -3.339 -6.521 1.00 7.29 N ATOM 288 CA GLU A 18 10.695 -2.873 -6.537 1.00 7.08 C ATOM 289 C GLU A 18 10.760 -1.715 -5.526 1.00 6.45 C ATOM 290 O GLU A 18 9.720 -1.233 -5.113 1.00 5.28 O ATOM 291 CB GLU A 18 11.288 -2.493 -7.962 1.00 10.28 C ATOM 292 CG GLU A 18 11.417 -3.772 -8.749 1.00 12.65 C ATOM 293 CD GLU A 18 12.582 -4.673 -8.398 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.714 -4.233 -8.326 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.379 -5.921 -8.335 1.00 18.17 O ATOM 0 H GLU A 18 8.698 -2.676 -6.945 1.00 7.29 H new ATOM 0 HA GLU A 18 11.351 -3.696 -6.254 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.633 -1.790 -8.476 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.258 -2.007 -7.857 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.496 -4.342 -8.624 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.492 -3.515 -9.806 1.00 12.65 H new ATOM 302 N PRO A 19 11.893 -1.226 -4.996 1.00 7.24 N ATOM 303 CA PRO A 19 11.998 0.049 -4.263 1.00 7.07 C ATOM 304 C PRO A 19 11.572 1.253 -5.095 1.00 6.65 C ATOM 305 O PRO A 19 11.105 2.247 -4.505 1.00 6.37 O ATOM 306 CB PRO A 19 13.552 0.097 -4.023 1.00 7.61 C ATOM 307 CG PRO A 19 14.084 -1.350 -4.244 1.00 8.16 C ATOM 308 CD PRO A 19 13.163 -1.885 -5.300 1.00 7.49 C ATOM 0 HA PRO A 19 11.364 0.093 -3.377 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.029 0.794 -4.712 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.777 0.442 -3.014 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.123 -1.353 -4.574 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.038 -1.942 -3.330 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.514 -1.641 -6.303 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.077 -2.970 -5.248 1.00 7.49 H new ATOM 316 N SER A 20 11.820 1.226 -6.459 1.00 6.80 N ATOM 317 CA SER A 20 11.525 2.231 -7.443 1.00 6.28 C ATOM 318 C SER A 20 10.070 2.306 -7.895 1.00 8.45 C ATOM 319 O SER A 20 9.543 3.315 -8.477 1.00 7.26 O ATOM 320 CB SER A 20 12.367 2.054 -8.766 1.00 8.57 C ATOM 321 OG SER A 20 12.364 0.652 -9.146 1.00 11.13 O ATOM 0 H SER A 20 12.269 0.415 -6.885 1.00 6.80 H new ATOM 0 HA SER A 20 11.782 3.143 -6.905 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.943 2.661 -9.566 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.389 2.400 -8.611 1.00 8.57 H new ATOM 0 HG SER A 20 12.884 0.535 -9.968 1.00 11.13 H new ATOM 327 N ASP A 21 9.256 1.281 -7.574 1.00 7.50 N ATOM 328 CA ASP A 21 7.778 1.358 -7.686 1.00 7.70 C ATOM 329 C ASP A 21 7.174 2.370 -6.678 1.00 7.08 C ATOM 330 O ASP A 21 7.733 2.545 -5.599 1.00 8.11 O ATOM 331 CB ASP A 21 7.141 -0.053 -7.457 1.00 11.00 C ATOM 332 CG ASP A 21 7.470 -1.044 -8.542 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.069 -0.642 -9.609 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.167 -2.288 -8.261 1.00 14.36 O ATOM 0 H ASP A 21 9.596 0.382 -7.232 1.00 7.50 H new ATOM 0 HA ASP A 21 7.548 1.706 -8.693 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.484 -0.447 -6.500 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.058 0.053 -7.389 1.00 11.00 H new ATOM 339 N THR A 22 6.086 3.040 -7.139 1.00 5.37 N ATOM 340 CA THR A 22 5.389 4.093 -6.329 1.00 6.01 C ATOM 341 C THR A 22 4.206 3.576 -5.523 1.00 8.01 C ATOM 342 O THR A 22 3.836 2.433 -5.585 1.00 8.11 O ATOM 343 CB THR A 22 4.967 5.312 -7.073 1.00 8.92 C ATOM 344 OG1 THR A 22 4.189 4.980 -8.247 1.00 10.22 O ATOM 345 CG2 THR A 22 6.215 5.992 -7.596 1.00 9.65 C ATOM 0 H THR A 22 5.670 2.878 -8.056 1.00 5.37 H new ATOM 0 HA THR A 22 6.186 4.391 -5.647 1.00 6.01 H new ATOM 0 HB THR A 22 4.379 5.930 -6.395 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.928 5.803 -8.710 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.936 6.890 -8.147 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.859 6.264 -6.760 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.750 5.311 -8.259 1.00 9.65 H new ATOM 353 N ILE A 23 3.673 4.444 -4.668 1.00 8.32 N ATOM 354 CA ILE A 23 2.523 4.183 -3.787 1.00 9.92 C ATOM 355 C ILE A 23 1.333 3.967 -4.612 1.00 10.01 C ATOM 356 O ILE A 23 0.547 3.027 -4.449 1.00 8.71 O ATOM 357 CB ILE A 23 2.285 5.264 -2.802 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.420 5.269 -1.710 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.949 5.070 -2.064 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.625 4.000 -0.905 1.00 12.30 C ATOM 0 H ILE A 23 4.041 5.389 -4.560 1.00 8.32 H new ATOM 0 HA ILE A 23 2.749 3.291 -3.203 1.00 9.92 H new ATOM 0 HB ILE A 23 2.271 6.200 -3.360 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.361 5.509 -2.205 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.211 6.080 -1.012 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.807 5.881 -1.349 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.131 5.074 -2.785 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.961 4.117 -1.534 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.437 4.148 -0.193 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.709 3.759 -0.366 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.877 3.180 -1.577 1.00 12.30 H new ATOM 372 N GLU A 24 1.093 4.819 -5.618 1.00 9.54 N ATOM 373 CA GLU A 24 0.082 4.558 -6.644 1.00 11.81 C ATOM 374 C GLU A 24 0.249 3.169 -7.416 1.00 11.14 C ATOM 375 O GLU A 24 -0.708 2.439 -7.745 1.00 10.62 O ATOM 376 CB GLU A 24 0.240 5.752 -7.603 1.00 19.24 C ATOM 377 CG GLU A 24 -0.754 5.631 -8.767 1.00 27.76 C ATOM 378 CD GLU A 24 -0.761 6.959 -9.567 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.565 7.832 -9.159 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.025 7.099 -10.538 1.00 34.80 O ATOM 0 H GLU A 24 1.591 5.701 -5.741 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.908 4.465 -6.197 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.070 6.685 -7.065 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.259 5.787 -7.988 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.473 4.802 -9.417 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.753 5.415 -8.388 1.00 27.76 H new ATOM 387 N ASN A 25 1.492 2.806 -7.670 1.00 9.43 N ATOM 388 CA ASN A 25 1.789 1.540 -8.367 1.00 10.96 C ATOM 389 C ASN A 25 1.418 0.313 -7.567 1.00 9.68 C ATOM 390 O ASN A 25 0.989 -0.685 -8.119 1.00 9.33 O ATOM 391 CB ASN A 25 3.285 1.525 -8.651 1.00 16.78 C ATOM 392 CG ASN A 25 3.644 0.513 -9.752 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.309 -0.469 -9.514 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.188 0.761 -11.011 1.00 24.70 N ATOM 0 H ASN A 25 2.313 3.353 -7.413 1.00 9.43 H new ATOM 0 HA ASN A 25 1.191 1.500 -9.277 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.608 2.521 -8.953 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.826 1.277 -7.738 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.406 0.114 -11.769 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.628 1.593 -11.196 1.00 24.70 H new ATOM 401 N VAL A 26 1.541 0.433 -6.222 1.00 6.52 N ATOM 402 CA VAL A 26 1.146 -0.585 -5.252 1.00 5.53 C ATOM 403 C VAL A 26 -0.369 -0.696 -5.187 1.00 4.42 C ATOM 404 O VAL A 26 -0.965 -1.741 -5.107 1.00 3.40 O ATOM 405 CB VAL A 26 1.637 -0.193 -3.814 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.064 -1.252 -2.809 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.172 -0.290 -3.731 1.00 8.12 C ATOM 0 H VAL A 26 1.930 1.268 -5.783 1.00 6.52 H new ATOM 0 HA VAL A 26 1.592 -1.528 -5.570 1.00 5.53 H new ATOM 0 HB VAL A 26 1.310 0.822 -3.586 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.388 -1.007 -1.798 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.025 -1.243 -2.853 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.430 -2.243 -3.077 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.500 -0.016 -2.728 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.484 -1.311 -3.948 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.619 0.388 -4.458 1.00 8.12 H new ATOM 417 N LYS A 27 -1.146 0.469 -5.275 1.00 2.64 N ATOM 418 CA LYS A 27 -2.608 0.473 -5.180 1.00 4.14 C ATOM 419 C LYS A 27 -3.267 -0.332 -6.388 1.00 5.58 C ATOM 420 O LYS A 27 -4.272 -1.046 -6.216 1.00 4.11 O ATOM 421 CB LYS A 27 -3.160 1.956 -5.075 1.00 3.97 C ATOM 422 CG LYS A 27 -2.769 2.650 -3.756 1.00 7.45 C ATOM 423 CD LYS A 27 -3.470 3.916 -3.301 1.00 9.02 C ATOM 424 CE LYS A 27 -3.450 5.002 -4.333 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.064 6.235 -3.814 1.00 15.47 N ATOM 0 H LYS A 27 -0.744 1.396 -5.412 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.894 -0.044 -4.264 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.780 2.540 -5.913 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.246 1.941 -5.164 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.890 1.915 -2.960 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.705 2.879 -3.819 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.504 3.681 -3.049 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.995 4.280 -2.390 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.422 5.203 -4.635 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.985 4.672 -5.224 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.223 6.900 -4.598 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.973 6.007 -3.363 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.430 6.670 -3.114 1.00 15.47 H new ATOM 439 N ALA A 28 -2.659 -0.168 -7.539 1.00 6.61 N ATOM 440 CA ALA A 28 -2.971 -0.926 -8.744 1.00 7.74 C ATOM 441 C ALA A 28 -2.826 -2.409 -8.560 1.00 9.17 C ATOM 442 O ALA A 28 -3.588 -3.222 -9.052 1.00 11.45 O ATOM 443 CB ALA A 28 -2.112 -0.381 -9.931 1.00 7.68 C ATOM 0 H ALA A 28 -1.912 0.513 -7.675 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.026 -0.780 -8.977 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.342 -0.945 -10.835 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.341 0.672 -10.092 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.054 -0.490 -9.694 1.00 7.68 H new ATOM 449 N LYS A 29 -1.704 -2.800 -7.922 1.00 8.96 N ATOM 450 CA LYS A 29 -1.338 -4.195 -7.630 1.00 7.90 C ATOM 451 C LYS A 29 -2.286 -4.803 -6.598 1.00 6.92 C ATOM 452 O LYS A 29 -2.695 -5.935 -6.722 1.00 6.87 O ATOM 453 CB LYS A 29 0.154 -4.305 -7.322 1.00 10.28 C ATOM 454 CG LYS A 29 0.766 -5.651 -7.406 1.00 14.94 C ATOM 455 CD LYS A 29 2.333 -5.532 -7.368 1.00 19.69 C ATOM 456 CE LYS A 29 2.805 -5.526 -8.840 1.00 22.63 C ATOM 457 NZ LYS A 29 4.229 -5.277 -9.022 1.00 24.98 N ATOM 0 H LYS A 29 -1.010 -2.132 -7.587 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.478 -4.817 -8.514 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.689 -3.647 -8.007 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.320 -3.921 -6.316 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.420 -6.269 -6.578 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.453 -6.145 -8.326 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.641 -4.620 -6.857 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.773 -6.367 -6.822 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.558 -6.487 -9.290 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.245 -4.766 -9.384 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.466 -5.341 -10.033 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.463 -4.326 -8.671 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.776 -5.986 -8.493 1.00 24.98 H new ATOM 471 N ILE A 30 -2.763 -4.049 -5.594 1.00 4.57 N ATOM 472 CA ILE A 30 -3.811 -4.399 -4.656 1.00 5.58 C ATOM 473 C ILE A 30 -5.146 -4.714 -5.302 1.00 7.26 C ATOM 474 O ILE A 30 -5.818 -5.677 -4.921 1.00 9.46 O ATOM 475 CB ILE A 30 -3.901 -3.351 -3.518 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.608 -3.477 -2.651 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.231 -3.554 -2.684 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.452 -2.397 -1.579 1.00 2.00 C ATOM 0 H ILE A 30 -2.392 -3.116 -5.415 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.523 -5.348 -4.203 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.953 -2.338 -3.916 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.605 -4.454 -2.167 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.740 -3.445 -3.310 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.279 -2.810 -1.889 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.093 -3.439 -3.341 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.238 -4.553 -2.247 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.527 -2.564 -1.027 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.420 -1.416 -2.053 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.298 -2.441 -0.893 1.00 2.00 H new ATOM 490 N GLN A 31 -5.511 -3.910 -6.357 1.00 7.06 N ATOM 491 CA GLN A 31 -6.763 -4.040 -7.076 1.00 8.67 C ATOM 492 C GLN A 31 -6.631 -5.406 -7.828 1.00 10.90 C ATOM 493 O GLN A 31 -7.563 -6.210 -7.929 1.00 9.63 O ATOM 494 CB GLN A 31 -6.928 -2.853 -7.991 1.00 9.12 C ATOM 495 CG GLN A 31 -8.214 -2.871 -8.795 1.00 10.76 C ATOM 496 CD GLN A 31 -8.532 -1.604 -9.540 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.686 -1.152 -9.511 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.550 -0.955 -10.151 1.00 14.76 N ATOM 0 H GLN A 31 -4.918 -3.158 -6.710 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.654 -4.044 -6.448 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.896 -1.941 -7.396 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.082 -2.816 -8.678 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.161 -3.690 -9.513 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.041 -3.092 -8.120 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.608 -1.347 -10.161 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.736 -0.064 -10.611 1.00 14.76 H new ATOM 507 N ASP A 32 -5.386 -5.676 -8.336 1.00 10.93 N ATOM 508 CA ASP A 32 -5.102 -6.912 -9.119 1.00 14.01 C ATOM 509 C ASP A 32 -5.095 -8.160 -8.228 1.00 14.04 C ATOM 510 O ASP A 32 -5.419 -9.275 -8.614 1.00 13.39 O ATOM 511 CB ASP A 32 -3.776 -6.646 -9.898 1.00 18.01 C ATOM 512 CG ASP A 32 -3.629 -7.658 -11.084 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.548 -7.723 -11.918 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.624 -8.405 -11.097 1.00 26.29 O ATOM 0 H ASP A 32 -4.580 -5.062 -8.217 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.890 -7.133 -9.840 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.769 -5.625 -10.279 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.925 -6.740 -9.223 1.00 18.01 H new ATOM 519 N LYS A 33 -4.847 -7.999 -6.917 1.00 14.22 N ATOM 520 CA LYS A 33 -5.062 -9.080 -5.984 1.00 14.00 C ATOM 521 C LYS A 33 -6.500 -9.179 -5.506 1.00 12.37 C ATOM 522 O LYS A 33 -7.087 -10.238 -5.690 1.00 12.17 O ATOM 523 CB LYS A 33 -4.157 -8.904 -4.749 1.00 18.62 C ATOM 524 CG LYS A 33 -2.624 -9.146 -5.019 1.00 24.00 C ATOM 525 CD LYS A 33 -2.226 -10.570 -5.467 1.00 27.61 C ATOM 526 CE LYS A 33 -0.703 -10.658 -5.352 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.171 -11.906 -5.872 1.00 30.06 N ATOM 0 H LYS A 33 -4.502 -7.135 -6.498 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.820 -9.996 -6.524 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.289 -7.895 -4.359 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.488 -9.592 -3.971 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.296 -8.442 -5.784 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.074 -8.907 -4.109 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.705 -11.321 -4.839 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.548 -10.758 -6.491 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.254 -9.824 -5.891 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.415 -10.553 -4.306 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.864 -11.912 -5.769 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.576 -12.704 -5.342 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.419 -11.997 -6.878 1.00 30.06 H new ATOM 541 N GLU A 34 -7.126 -8.123 -4.995 1.00 10.11 N ATOM 542 CA GLU A 34 -8.371 -8.129 -4.187 1.00 10.07 C ATOM 543 C GLU A 34 -9.493 -7.278 -4.771 1.00 9.32 C ATOM 544 O GLU A 34 -10.548 -7.232 -4.112 1.00 11.61 O ATOM 545 CB GLU A 34 -8.020 -7.717 -2.697 1.00 14.77 C ATOM 546 CG GLU A 34 -6.984 -8.549 -1.903 1.00 18.75 C ATOM 547 CD GLU A 34 -7.571 -9.784 -1.342 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.516 -9.582 -0.527 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.135 -10.936 -1.627 1.00 21.95 O ATOM 0 H GLU A 34 -6.768 -7.178 -5.134 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.771 -9.143 -4.202 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.666 -6.686 -2.717 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.950 -7.723 -2.128 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.152 -8.809 -2.557 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.577 -7.942 -1.094 1.00 18.75 H new ATOM 556 N GLY A 35 -9.350 -6.630 -5.950 1.00 7.22 N ATOM 557 CA GLY A 35 -10.478 -5.955 -6.601 1.00 6.29 C ATOM 558 C GLY A 35 -10.818 -4.582 -6.075 1.00 6.93 C ATOM 559 O GLY A 35 -11.715 -3.900 -6.602 1.00 7.41 O ATOM 0 H GLY A 35 -8.469 -6.565 -6.460 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.261 -5.871 -7.666 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.360 -6.588 -6.505 1.00 6.29 H new ATOM 563 N ILE A 36 -10.111 -4.080 -5.036 1.00 5.86 N ATOM 564 CA ILE A 36 -10.442 -2.871 -4.349 1.00 6.07 C ATOM 565 C ILE A 36 -10.074 -1.657 -5.237 1.00 6.36 C ATOM 566 O ILE A 36 -8.903 -1.686 -5.702 1.00 6.18 O ATOM 567 CB ILE A 36 -9.724 -2.738 -2.993 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.623 -4.046 -2.151 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.480 -1.624 -2.211 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.750 -3.853 -0.921 1.00 9.49 C ATOM 0 H ILE A 36 -9.278 -4.538 -4.665 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.513 -2.899 -4.150 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.680 -2.491 -3.184 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.621 -4.360 -1.844 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.213 -4.846 -2.768 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.014 -1.484 -1.236 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.435 -0.691 -2.772 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.521 -1.916 -2.077 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.703 -4.785 -0.358 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.745 -3.564 -1.230 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.175 -3.071 -0.292 1.00 9.49 H new ATOM 582 N PRO A 37 -10.836 -0.611 -5.503 1.00 8.65 N ATOM 583 CA PRO A 37 -10.378 0.492 -6.350 1.00 9.18 C ATOM 584 C PRO A 37 -9.250 1.285 -5.703 1.00 9.85 C ATOM 585 O PRO A 37 -9.373 1.486 -4.481 1.00 8.51 O ATOM 586 CB PRO A 37 -11.640 1.416 -6.464 1.00 11.42 C ATOM 587 CG PRO A 37 -12.809 0.524 -6.300 1.00 9.27 C ATOM 588 CD PRO A 37 -12.289 -0.607 -5.329 1.00 8.33 C ATOM 0 HA PRO A 37 -9.992 0.127 -7.302 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.628 2.190 -5.697 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.667 1.923 -7.428 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.661 1.055 -5.875 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.135 0.112 -7.255 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.563 -0.397 -4.295 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.720 -1.575 -5.583 1.00 8.33 H new ATOM 596 N PRO A 38 -8.214 1.767 -6.347 1.00 8.71 N ATOM 597 CA PRO A 38 -7.106 2.472 -5.739 1.00 9.08 C ATOM 598 C PRO A 38 -7.481 3.707 -4.915 1.00 9.28 C ATOM 599 O PRO A 38 -6.777 4.106 -4.019 1.00 6.50 O ATOM 600 CB PRO A 38 -6.245 2.753 -6.915 1.00 10.31 C ATOM 601 CG PRO A 38 -6.378 1.558 -7.802 1.00 10.81 C ATOM 602 CD PRO A 38 -7.873 1.182 -7.660 1.00 12.00 C ATOM 0 HA PRO A 38 -6.611 1.887 -4.964 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.565 3.660 -7.428 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.208 2.906 -6.615 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.117 1.791 -8.834 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.726 0.745 -7.484 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.478 1.603 -8.463 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.026 0.103 -7.678 1.00 12.00 H new ATOM 610 N ASP A 39 -8.598 4.369 -5.283 1.00 11.20 N ATOM 611 CA ASP A 39 -9.224 5.511 -4.683 1.00 14.96 C ATOM 612 C ASP A 39 -10.231 5.212 -3.573 1.00 13.99 C ATOM 613 O ASP A 39 -10.789 6.098 -2.960 1.00 13.75 O ATOM 614 CB ASP A 39 -9.968 6.401 -5.776 1.00 24.16 C ATOM 615 CG ASP A 39 -9.064 6.858 -6.905 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.223 7.762 -6.727 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.169 6.304 -8.000 1.00 34.22 O ATOM 0 H ASP A 39 -9.123 4.062 -6.102 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.387 6.038 -4.224 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.797 5.830 -6.194 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.397 7.276 -5.289 1.00 24.16 H new ATOM 622 N GLN A 40 -10.450 3.925 -3.185 1.00 11.60 N ATOM 623 CA GLN A 40 -11.208 3.496 -2.029 1.00 10.76 C ATOM 624 C GLN A 40 -10.259 2.925 -0.975 1.00 8.01 C ATOM 625 O GLN A 40 -10.659 2.690 0.158 1.00 8.96 O ATOM 626 CB GLN A 40 -12.277 2.437 -2.411 1.00 11.14 C ATOM 627 CG GLN A 40 -13.459 3.057 -3.101 1.00 14.85 C ATOM 628 CD GLN A 40 -14.683 2.144 -3.143 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.761 0.956 -2.852 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.845 2.763 -3.603 1.00 18.16 N ATOM 0 H GLN A 40 -10.074 3.137 -3.713 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.729 4.363 -1.623 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.828 1.687 -3.063 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.612 1.919 -1.512 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.723 3.984 -2.591 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.178 3.323 -4.120 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.830 3.751 -3.858 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.710 2.228 -3.685 1.00 18.16 H new ATOM 639 N GLN A 41 -9.011 2.650 -1.354 1.00 6.52 N ATOM 640 CA GLN A 41 -7.956 2.209 -0.506 1.00 3.87 C ATOM 641 C GLN A 41 -7.242 3.343 0.205 1.00 4.79 C ATOM 642 O GLN A 41 -7.248 4.521 -0.212 1.00 6.34 O ATOM 643 CB GLN A 41 -6.885 1.523 -1.417 1.00 4.20 C ATOM 644 CG GLN A 41 -7.243 0.180 -1.954 1.00 3.20 C ATOM 645 CD GLN A 41 -6.232 -0.208 -3.045 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.045 0.112 -2.972 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.672 -0.843 -4.084 1.00 7.13 N ATOM 0 H GLN A 41 -8.714 2.742 -2.325 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.395 1.553 0.246 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.676 2.184 -2.258 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.960 1.429 -0.848 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.236 -0.560 -1.154 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.253 0.195 -2.365 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.656 -1.107 -4.142 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.035 -1.079 -4.845 1.00 7.13 H new ATOM 656 N ARG A 42 -6.555 3.034 1.339 1.00 5.73 N ATOM 657 CA ARG A 42 -5.717 3.885 2.042 1.00 6.97 C ATOM 658 C ARG A 42 -4.593 3.147 2.731 1.00 7.15 C ATOM 659 O ARG A 42 -4.717 1.998 3.170 1.00 7.33 O ATOM 660 CB ARG A 42 -6.513 4.787 3.010 1.00 13.23 C ATOM 661 CG ARG A 42 -5.709 5.792 3.845 1.00 21.27 C ATOM 662 CD ARG A 42 -6.429 6.681 4.893 1.00 26.14 C ATOM 663 NE ARG A 42 -7.182 7.754 4.166 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.290 8.419 4.671 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.017 7.978 5.663 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.462 9.676 4.171 1.00 36.39 N ATOM 0 H ARG A 42 -6.615 2.110 1.766 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.241 4.541 1.313 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.249 5.342 2.428 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.067 4.144 3.694 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.936 5.232 4.371 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.201 6.459 3.149 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.111 6.081 5.495 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.705 7.123 5.577 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.857 8.013 3.235 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.781 7.094 6.115 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.820 8.517 5.986 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.803 10.047 3.486 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.249 10.245 4.482 1.00 36.39 H new ATOM 680 N LEU A 43 -3.359 3.690 2.650 1.00 4.65 N ATOM 681 CA LEU A 43 -2.070 2.992 2.871 1.00 3.51 C ATOM 682 C LEU A 43 -1.286 3.589 4.016 1.00 5.56 C ATOM 683 O LEU A 43 -0.975 4.821 4.046 1.00 4.19 O ATOM 684 CB LEU A 43 -1.223 2.977 1.548 1.00 3.74 C ATOM 685 CG LEU A 43 -1.823 2.174 0.320 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.941 2.205 -0.906 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.982 0.758 0.737 1.00 6.41 C ATOM 0 H LEU A 43 -3.226 4.674 2.418 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.297 1.963 3.151 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.066 4.009 1.234 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.242 2.561 1.778 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.768 2.645 0.050 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.412 1.636 -1.708 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.801 3.237 -1.227 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.027 1.764 -0.669 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.394 0.179 -0.090 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.011 0.350 1.017 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.658 0.704 1.590 1.00 6.41 H new ATOM 699 N ILE A 44 -0.936 2.789 4.982 1.00 4.58 N ATOM 700 CA ILE A 44 -0.324 3.158 6.226 1.00 5.55 C ATOM 701 C ILE A 44 0.934 2.343 6.368 1.00 5.46 C ATOM 702 O ILE A 44 0.954 1.123 6.137 1.00 6.04 O ATOM 703 CB ILE A 44 -1.325 2.868 7.410 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.683 3.551 7.187 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.742 3.323 8.733 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.778 5.059 7.134 1.00 13.90 C ATOM 0 H ILE A 44 -1.083 1.782 4.914 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.080 4.220 6.250 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.482 1.790 7.437 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.086 3.169 6.249 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.349 3.213 7.981 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.450 3.113 9.534 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.189 2.790 8.923 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.545 4.394 8.695 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.815 5.353 6.970 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.427 5.479 8.077 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.161 5.434 6.318 1.00 13.90 H new ATOM 718 N PHE A 45 2.017 2.976 6.798 1.00 6.75 N ATOM 719 CA PHE A 45 3.312 2.347 7.145 1.00 4.70 C ATOM 720 C PHE A 45 3.673 2.664 8.555 1.00 6.34 C ATOM 721 O PHE A 45 4.198 3.757 8.786 1.00 5.45 O ATOM 722 CB PHE A 45 4.420 2.832 6.132 1.00 5.51 C ATOM 723 CG PHE A 45 5.759 2.121 6.238 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.896 0.710 6.206 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.921 2.957 6.464 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.192 0.153 6.255 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.131 2.349 6.602 1.00 6.64 C ATOM 728 CZ PHE A 45 8.265 0.970 6.462 1.00 6.84 C ATOM 0 H PHE A 45 2.031 3.988 6.925 1.00 6.75 H new ATOM 0 HA PHE A 45 3.231 1.263 7.065 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.041 2.706 5.118 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.582 3.899 6.281 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.025 0.074 6.145 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.830 4.032 6.521 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.333 -0.910 6.130 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.003 2.947 6.824 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.251 0.533 6.519 1.00 6.84 H new ATOM 738 N ALA A 46 3.475 1.765 9.547 1.00 6.53 N ATOM 739 CA ALA A 46 3.753 1.926 10.985 1.00 7.15 C ATOM 740 C ALA A 46 3.194 3.210 11.593 1.00 9.00 C ATOM 741 O ALA A 46 3.919 4.100 12.023 1.00 11.15 O ATOM 742 CB ALA A 46 5.317 1.739 11.231 1.00 8.99 C ATOM 0 H ALA A 46 3.089 0.843 9.344 1.00 6.53 H new ATOM 0 HA ALA A 46 3.212 1.147 11.522 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.535 1.856 12.293 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.620 0.744 10.906 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.867 2.489 10.663 1.00 8.99 H new ATOM 748 N GLY A 47 1.862 3.433 11.570 1.00 9.35 N ATOM 749 CA GLY A 47 1.186 4.655 12.094 1.00 11.68 C ATOM 750 C GLY A 47 1.198 5.911 11.234 1.00 11.14 C ATOM 751 O GLY A 47 0.596 6.937 11.601 1.00 13.93 O ATOM 0 H GLY A 47 1.206 2.757 11.179 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.146 4.399 12.295 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.644 4.903 13.052 1.00 11.68 H new ATOM 755 N LYS A 48 1.817 5.866 10.022 1.00 10.47 N ATOM 756 CA LYS A 48 2.012 7.049 9.141 1.00 8.82 C ATOM 757 C LYS A 48 1.499 6.780 7.719 1.00 7.68 C ATOM 758 O LYS A 48 1.805 5.736 7.062 1.00 6.47 O ATOM 759 CB LYS A 48 3.502 7.419 8.983 1.00 9.74 C ATOM 760 CG LYS A 48 3.879 8.567 7.978 1.00 14.14 C ATOM 761 CD LYS A 48 3.320 10.005 8.307 1.00 16.32 C ATOM 762 CE LYS A 48 3.714 11.163 7.391 1.00 20.04 C ATOM 763 NZ LYS A 48 3.096 10.885 6.075 1.00 23.92 N ATOM 0 H LYS A 48 2.196 5.004 9.629 1.00 10.47 H new ATOM 0 HA LYS A 48 1.460 7.856 9.623 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.882 7.699 9.966 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.038 6.520 8.678 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.966 8.628 7.923 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.525 8.282 6.987 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.232 9.944 8.317 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.634 10.260 9.319 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.361 12.113 7.793 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.798 11.237 7.303 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.830 10.894 5.338 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.638 9.951 6.097 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 2.385 11.614 5.864 1.00 23.92 H new ATOM 777 N GLN A 49 0.601 7.634 7.230 1.00 8.89 N ATOM 778 CA GLN A 49 0.025 7.551 5.865 1.00 7.18 C ATOM 779 C GLN A 49 1.031 7.785 4.745 1.00 8.23 C ATOM 780 O GLN A 49 2.047 8.420 4.921 1.00 9.70 O ATOM 781 CB GLN A 49 -1.131 8.588 5.807 1.00 11.67 C ATOM 782 CG GLN A 49 -2.153 8.387 4.650 1.00 15.82 C ATOM 783 CD GLN A 49 -3.314 9.469 4.696 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.800 9.980 5.690 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.722 9.918 3.478 1.00 20.67 N ATOM 0 H GLN A 49 0.240 8.420 7.770 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.328 6.534 5.694 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.670 8.559 6.754 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.698 9.584 5.717 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.636 8.449 3.693 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.584 7.388 4.715 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.333 9.510 2.628 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.416 10.663 3.415 1.00 20.67 H new ATOM 794 N LEU A 50 0.856 7.195 3.587 1.00 6.51 N ATOM 795 CA LEU A 50 1.729 7.193 2.438 1.00 7.41 C ATOM 796 C LEU A 50 1.105 7.996 1.299 1.00 8.27 C ATOM 797 O LEU A 50 0.071 7.550 0.757 1.00 8.34 O ATOM 798 CB LEU A 50 1.994 5.717 1.937 1.00 7.13 C ATOM 799 CG LEU A 50 2.643 4.817 3.060 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.472 3.345 2.819 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.100 5.126 3.183 1.00 9.11 C ATOM 0 H LEU A 50 0.013 6.649 3.409 1.00 6.51 H new ATOM 0 HA LEU A 50 2.674 7.647 2.736 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.054 5.270 1.613 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.651 5.742 1.068 1.00 7.13 H new ATOM 0 HG LEU A 50 2.116 5.055 3.984 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.942 2.787 3.629 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.410 3.104 2.780 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.940 3.074 1.873 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.540 4.501 3.960 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.596 4.927 2.233 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.228 6.176 3.446 1.00 9.11 H new ATOM 813 N GLU A 51 1.745 9.150 0.840 1.00 9.43 N ATOM 814 CA GLU A 51 1.327 9.994 -0.180 1.00 11.90 C ATOM 815 C GLU A 51 1.608 9.360 -1.548 1.00 11.49 C ATOM 816 O GLU A 51 2.619 8.677 -1.748 1.00 9.88 O ATOM 817 CB GLU A 51 2.072 11.379 -0.137 1.00 16.56 C ATOM 818 CG GLU A 51 1.494 12.519 -1.049 1.00 26.06 C ATOM 819 CD GLU A 51 0.270 13.132 -0.488 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.399 14.022 0.351 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.899 12.754 -0.912 1.00 32.13 O ATOM 0 H GLU A 51 2.621 9.466 1.256 1.00 9.43 H new ATOM 0 HA GLU A 51 0.258 10.151 -0.035 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.071 11.734 0.894 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.113 11.214 -0.416 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.252 13.290 -1.185 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.273 12.112 -2.036 1.00 26.06 H new ATOM 828 N ASP A 52 0.652 9.374 -2.424 1.00 12.71 N ATOM 829 CA ASP A 52 0.557 8.550 -3.663 1.00 16.56 C ATOM 830 C ASP A 52 1.694 8.610 -4.666 1.00 15.83 C ATOM 831 O ASP A 52 2.104 7.596 -5.236 1.00 17.21 O ATOM 832 CB ASP A 52 -0.691 8.934 -4.365 1.00 21.05 C ATOM 833 CG ASP A 52 -1.911 8.888 -3.457 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.169 7.817 -2.897 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.490 9.987 -3.199 1.00 25.82 O ATOM 0 H ASP A 52 -0.153 9.991 -2.317 1.00 12.71 H new ATOM 0 HA ASP A 52 0.592 7.524 -3.297 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.581 9.940 -4.769 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.848 8.266 -5.212 1.00 21.05 H new ATOM 840 N GLY A 53 2.185 9.861 -4.955 1.00 15.00 N ATOM 841 CA GLY A 53 3.157 10.037 -6.066 1.00 11.77 C ATOM 842 C GLY A 53 4.586 9.993 -5.647 1.00 11.10 C ATOM 843 O GLY A 53 5.475 10.757 -6.002 1.00 11.25 O ATOM 0 H GLY A 53 1.934 10.715 -4.457 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.985 9.259 -6.810 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.963 10.992 -6.554 1.00 11.77 H new ATOM 847 N ARG A 54 4.901 9.018 -4.748 1.00 8.53 N ATOM 848 CA ARG A 54 6.179 8.835 -4.093 1.00 9.05 C ATOM 849 C ARG A 54 6.598 7.395 -4.162 1.00 8.96 C ATOM 850 O ARG A 54 5.751 6.480 -4.338 1.00 11.60 O ATOM 851 CB ARG A 54 6.122 9.217 -2.575 1.00 7.97 C ATOM 852 CG ARG A 54 5.330 10.493 -2.221 1.00 9.62 C ATOM 853 CD ARG A 54 6.062 11.789 -2.705 1.00 12.20 C ATOM 854 NE ARG A 54 5.333 13.105 -2.424 1.00 18.23 N ATOM 855 CZ ARG A 54 5.259 13.647 -1.202 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.845 13.203 -0.107 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.520 14.784 -1.070 1.00 23.38 N ATOM 0 H ARG A 54 4.219 8.315 -4.463 1.00 8.53 H new ATOM 0 HA ARG A 54 6.884 9.484 -4.612 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.686 8.381 -2.028 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.143 9.337 -2.214 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.341 10.444 -2.676 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.183 10.541 -1.142 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.043 11.829 -2.231 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.230 11.710 -3.779 1.00 12.20 H new ATOM 0 HE ARG A 54 4.884 13.590 -3.201 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.424 12.364 -0.143 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.719 13.698 0.776 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.053 15.186 -1.883 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.434 15.233 -0.158 1.00 23.38 H new ATOM 871 N THR A 55 7.932 7.080 -4.093 1.00 9.05 N ATOM 872 CA THR A 55 8.495 5.704 -4.270 1.00 9.03 C ATOM 873 C THR A 55 8.582 4.861 -2.981 1.00 8.15 C ATOM 874 O THR A 55 8.461 5.383 -1.845 1.00 5.91 O ATOM 875 CB THR A 55 9.803 5.558 -5.018 1.00 11.15 C ATOM 876 OG1 THR A 55 10.882 6.192 -4.403 1.00 11.95 O ATOM 877 CG2 THR A 55 9.700 6.183 -6.418 1.00 11.71 C ATOM 0 H THR A 55 8.649 7.782 -3.911 1.00 9.05 H new ATOM 0 HA THR A 55 7.718 5.310 -4.926 1.00 9.03 H new ATOM 0 HB THR A 55 9.980 4.483 -5.045 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.682 5.632 -4.487 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.650 6.067 -6.939 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.913 5.683 -6.983 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.463 7.243 -6.327 1.00 11.71 H new ATOM 885 N LEU A 56 8.752 3.545 -3.080 1.00 6.91 N ATOM 886 CA LEU A 56 8.901 2.683 -1.958 1.00 8.29 C ATOM 887 C LEU A 56 10.221 2.907 -1.270 1.00 8.05 C ATOM 888 O LEU A 56 10.301 2.881 -0.044 1.00 10.17 O ATOM 889 CB LEU A 56 8.564 1.235 -2.357 1.00 6.60 C ATOM 890 CG LEU A 56 7.172 0.752 -1.874 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.076 1.696 -2.320 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.928 -0.683 -2.441 1.00 8.64 C ATOM 0 H LEU A 56 8.788 3.057 -3.975 1.00 6.91 H new ATOM 0 HA LEU A 56 8.175 2.927 -1.183 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.610 1.149 -3.443 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.328 0.571 -1.952 1.00 6.60 H new ATOM 0 HG LEU A 56 7.152 0.733 -0.784 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.113 1.329 -1.965 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.260 2.688 -1.908 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.064 1.752 -3.409 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.953 -1.043 -2.113 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.956 -0.654 -3.530 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.704 -1.355 -2.076 1.00 8.64 H new ATOM 904 N SER A 57 11.246 3.249 -2.044 1.00 8.92 N ATOM 905 CA SER A 57 12.581 3.741 -1.642 1.00 9.00 C ATOM 906 C SER A 57 12.515 5.000 -0.750 1.00 9.44 C ATOM 907 O SER A 57 13.066 5.005 0.396 1.00 10.91 O ATOM 908 CB SER A 57 13.580 3.932 -2.846 1.00 10.32 C ATOM 909 OG SER A 57 13.081 4.827 -3.815 1.00 13.59 O ATOM 0 H SER A 57 11.168 3.188 -3.059 1.00 8.92 H new ATOM 0 HA SER A 57 12.996 2.938 -1.033 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.534 4.302 -2.469 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.774 2.966 -3.312 1.00 10.32 H new ATOM 0 HG SER A 57 13.731 4.917 -4.543 1.00 13.59 H new ATOM 915 N ASP A 58 11.743 6.038 -1.223 1.00 9.11 N ATOM 916 CA ASP A 58 11.520 7.196 -0.471 1.00 7.91 C ATOM 917 C ASP A 58 10.905 6.999 0.988 1.00 9.12 C ATOM 918 O ASP A 58 11.467 7.423 2.002 1.00 8.61 O ATOM 919 CB ASP A 58 10.584 8.094 -1.402 1.00 8.41 C ATOM 920 CG ASP A 58 10.462 9.410 -0.698 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.392 10.228 -0.727 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.398 9.620 -0.077 1.00 10.05 O ATOM 0 H ASP A 58 11.288 6.037 -2.136 1.00 9.11 H new ATOM 0 HA ASP A 58 12.478 7.655 -0.228 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.020 8.218 -2.393 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.607 7.631 -1.539 1.00 8.41 H new ATOM 927 N TYR A 59 9.892 6.170 1.094 1.00 7.97 N ATOM 928 CA TYR A 59 9.168 5.880 2.294 1.00 8.45 C ATOM 929 C TYR A 59 9.790 4.815 3.223 1.00 10.98 C ATOM 930 O TYR A 59 9.157 4.630 4.269 1.00 12.95 O ATOM 931 CB TYR A 59 7.702 5.516 1.997 1.00 7.94 C ATOM 932 CG TYR A 59 6.840 6.712 2.019 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.724 7.398 3.271 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.230 7.209 0.867 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.913 8.519 3.338 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.330 8.302 0.958 1.00 6.52 C ATOM 937 CZ TYR A 59 5.219 8.948 2.194 1.00 6.76 C ATOM 938 OH TYR A 59 4.256 9.968 2.362 1.00 7.63 O ATOM 0 H TYR A 59 9.536 5.652 0.291 1.00 7.97 H new ATOM 0 HA TYR A 59 9.224 6.816 2.850 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.635 5.034 1.022 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.347 4.795 2.734 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.257 7.049 4.143 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.443 6.762 -0.093 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.814 9.062 4.267 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.752 8.624 0.104 1.00 6.52 H new ATOM 0 HH TYR A 59 4.411 10.676 1.702 1.00 7.63 H new ATOM 948 N ASN A 60 10.991 4.269 2.923 1.00 12.38 N ATOM 949 CA ASN A 60 11.700 3.388 3.822 1.00 13.94 C ATOM 950 C ASN A 60 11.272 1.968 3.879 1.00 14.16 C ATOM 951 O ASN A 60 11.399 1.201 4.833 1.00 14.26 O ATOM 952 CB ASN A 60 12.037 3.897 5.271 1.00 19.23 C ATOM 953 CG ASN A 60 12.792 5.267 5.209 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.742 5.425 4.496 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.404 6.232 6.126 1.00 24.09 N ATOM 0 H ASN A 60 11.480 4.440 2.044 1.00 12.38 H new ATOM 0 HA ASN A 60 12.635 3.426 3.263 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.118 4.007 5.847 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.651 3.160 5.788 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.931 7.101 6.205 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.591 6.072 6.721 1.00 24.09 H new ATOM 962 N ILE A 61 10.827 1.494 2.706 1.00 11.08 N ATOM 963 CA ILE A 61 10.113 0.244 2.575 1.00 11.78 C ATOM 964 C ILE A 61 11.012 -0.667 1.872 1.00 13.74 C ATOM 965 O ILE A 61 11.444 -0.428 0.772 1.00 14.60 O ATOM 966 CB ILE A 61 8.859 0.510 1.724 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.913 1.438 2.479 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.155 -0.805 1.345 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.618 1.780 1.735 1.00 11.42 C ATOM 0 H ILE A 61 10.961 1.983 1.821 1.00 11.08 H new ATOM 0 HA ILE A 61 9.813 -0.177 3.535 1.00 11.78 H new ATOM 0 HB ILE A 61 9.163 0.995 0.796 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.656 0.975 3.432 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.440 2.365 2.706 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.273 -0.585 0.744 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.838 -1.431 0.771 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.855 -1.331 2.251 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.010 2.444 2.349 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.859 2.275 0.794 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.063 0.864 1.531 1.00 11.42 H new ATOM 981 N GLN A 62 11.318 -1.732 2.574 1.00 13.97 N ATOM 982 CA GLN A 62 12.405 -2.611 2.296 1.00 15.52 C ATOM 983 C GLN A 62 11.907 -4.006 2.317 1.00 13.94 C ATOM 984 O GLN A 62 10.767 -4.247 2.530 1.00 12.15 O ATOM 985 CB GLN A 62 13.497 -2.417 3.369 1.00 19.53 C ATOM 986 CG GLN A 62 14.251 -1.022 3.275 1.00 26.38 C ATOM 987 CD GLN A 62 15.360 -0.881 4.350 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.511 -1.310 4.127 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.011 -0.267 5.488 1.00 32.71 N ATOM 0 H GLN A 62 10.782 -2.014 3.394 1.00 13.97 H new ATOM 0 HA GLN A 62 12.829 -2.395 1.315 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.043 -2.508 4.356 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.228 -3.221 3.279 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.693 -0.916 2.284 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.530 -0.213 3.391 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.055 0.064 5.616 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.702 -0.130 6.226 1.00 32.71 H new ATOM 998 N LYS A 63 12.734 -5.025 2.056 1.00 11.73 N ATOM 999 CA LYS A 63 12.405 -6.403 1.991 1.00 11.97 C ATOM 1000 C LYS A 63 11.600 -6.929 3.203 1.00 10.41 C ATOM 1001 O LYS A 63 12.043 -6.846 4.366 1.00 9.59 O ATOM 1002 CB LYS A 63 13.662 -7.170 1.728 1.00 13.73 C ATOM 1003 CG LYS A 63 13.509 -8.748 1.852 1.00 16.98 C ATOM 1004 CD LYS A 63 14.797 -9.492 1.532 1.00 20.19 C ATOM 1005 CE LYS A 63 14.732 -11.048 1.665 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.069 -11.546 1.571 1.00 25.97 N ATOM 0 H LYS A 63 13.725 -4.865 1.874 1.00 11.73 H new ATOM 0 HA LYS A 63 11.708 -6.553 1.166 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.017 -6.930 0.726 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.429 -6.836 2.426 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.191 -8.999 2.864 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.722 -9.086 1.178 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.094 -9.245 0.513 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.582 -9.122 2.191 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.283 -11.333 2.617 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.109 -11.474 0.879 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.060 -12.582 1.656 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.476 -11.278 0.652 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.645 -11.141 2.336 1.00 25.97 H new ATOM 1020 N GLU A 64 10.463 -7.619 2.945 1.00 10.04 N ATOM 1021 CA GLU A 64 9.601 -8.293 3.938 1.00 10.94 C ATOM 1022 C GLU A 64 8.913 -7.255 4.922 1.00 9.74 C ATOM 1023 O GLU A 64 8.312 -7.612 5.945 1.00 9.42 O ATOM 1024 CB GLU A 64 10.252 -9.492 4.666 1.00 18.31 C ATOM 1025 CG GLU A 64 10.640 -10.649 3.784 1.00 24.16 C ATOM 1026 CD GLU A 64 11.180 -11.731 4.638 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.319 -12.552 5.156 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.390 -11.924 4.796 1.00 32.61 O ATOM 0 H GLU A 64 10.108 -7.724 1.994 1.00 10.04 H new ATOM 0 HA GLU A 64 8.806 -8.759 3.355 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.142 -9.139 5.187 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.560 -9.853 5.427 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.775 -11.005 3.224 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.386 -10.335 3.054 1.00 24.16 H new ATOM 1035 N SER A 65 8.996 -5.943 4.626 1.00 6.85 N ATOM 1036 CA SER A 65 8.334 -4.884 5.342 1.00 6.90 C ATOM 1037 C SER A 65 6.863 -5.035 5.458 1.00 4.72 C ATOM 1038 O SER A 65 6.236 -5.536 4.544 1.00 3.91 O ATOM 1039 CB SER A 65 8.573 -3.535 4.619 1.00 7.28 C ATOM 1040 OG SER A 65 9.925 -3.146 4.855 1.00 10.56 O ATOM 0 H SER A 65 9.555 -5.599 3.845 1.00 6.85 H new ATOM 0 HA SER A 65 8.761 -4.922 6.344 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.386 -3.636 3.550 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.886 -2.775 4.992 1.00 7.28 H new ATOM 0 HG SER A 65 9.948 -2.217 5.167 1.00 10.56 H new ATOM 1046 N THR A 66 6.318 -4.507 6.572 1.00 4.48 N ATOM 1047 CA THR A 66 4.882 -4.595 6.858 1.00 3.80 C ATOM 1048 C THR A 66 4.222 -3.287 6.609 1.00 4.60 C ATOM 1049 O THR A 66 4.439 -2.277 7.271 1.00 5.33 O ATOM 1050 CB THR A 66 4.610 -5.021 8.304 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.227 -6.280 8.438 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.120 -5.196 8.554 1.00 3.40 C ATOM 0 H THR A 66 6.856 -4.016 7.286 1.00 4.48 H new ATOM 0 HA THR A 66 4.472 -5.354 6.191 1.00 3.80 H new ATOM 0 HB THR A 66 4.982 -4.273 9.004 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.093 -6.615 9.349 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.958 -5.499 9.589 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.606 -4.253 8.367 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.727 -5.962 7.886 1.00 3.40 H new ATOM 1060 N LEU A 67 3.252 -3.281 5.642 1.00 4.17 N ATOM 1061 CA LEU A 67 2.344 -2.188 5.355 1.00 3.85 C ATOM 1062 C LEU A 67 1.042 -2.533 5.903 1.00 3.80 C ATOM 1063 O LEU A 67 0.673 -3.712 5.942 1.00 5.54 O ATOM 1064 CB LEU A 67 2.306 -1.898 3.850 1.00 7.18 C ATOM 1065 CG LEU A 67 3.347 -1.010 3.256 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.772 -1.599 3.356 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.970 -0.747 1.826 1.00 11.66 C ATOM 0 H LEU A 67 3.098 -4.084 5.032 1.00 4.17 H new ATOM 0 HA LEU A 67 2.682 -1.264 5.824 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.354 -2.855 3.330 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.333 -1.461 3.624 1.00 7.18 H new ATOM 0 HG LEU A 67 3.378 -0.080 3.824 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.484 -0.907 2.907 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.029 -1.754 4.404 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.810 -2.552 2.828 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.716 -0.099 1.366 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.925 -1.691 1.282 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.995 -0.261 1.790 1.00 11.66 H new ATOM 1079 N HIS A 68 0.241 -1.546 6.316 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.133 -1.703 6.639 1.00 4.17 C ATOM 1081 C HIS A 68 -2.015 -0.916 5.615 1.00 5.32 C ATOM 1082 O HIS A 68 -1.708 0.064 5.015 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.415 -1.080 8.032 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.027 -2.044 9.083 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.265 -2.230 9.484 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.788 -2.852 9.876 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.275 -3.103 10.461 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.959 -3.536 10.781 1.00 16.30 N ATOM 0 H HIS A 68 0.570 -0.587 6.431 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.366 -2.768 6.623 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.855 -0.152 8.149 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.472 -0.829 8.124 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.862 -2.951 9.817 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.175 -3.439 10.955 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.228 -4.201 11.506 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.227 -1.500 5.426 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.251 -1.092 4.445 1.00 3.97 C ATOM 1098 C LEU A 69 -5.545 -0.907 5.221 1.00 5.07 C ATOM 1099 O LEU A 69 -5.984 -1.826 5.930 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.378 -2.166 3.297 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.540 -2.152 2.307 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.634 -0.830 1.524 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.614 -3.381 1.354 1.00 9.96 C ATOM 0 H LEU A 69 -3.524 -2.303 5.981 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.986 -0.160 3.946 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.462 -2.109 2.709 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.386 -3.143 3.779 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.421 -2.233 2.944 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.477 -0.875 0.835 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.778 -0.004 2.221 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.713 -0.674 0.962 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.473 -3.276 0.691 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.702 -3.436 0.760 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.720 -4.292 1.943 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.205 0.305 5.126 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.517 0.568 5.676 1.00 6.26 C ATOM 1117 C VAL A 70 -8.245 1.184 4.497 1.00 9.22 C ATOM 1118 O VAL A 70 -7.617 1.538 3.495 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.404 1.575 6.822 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.943 0.743 8.003 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.375 2.707 6.543 1.00 8.54 C ATOM 0 H VAL A 70 -5.802 1.113 4.651 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.016 -0.312 6.083 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.354 2.085 6.981 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.833 1.383 8.878 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.680 -0.033 8.211 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.984 0.280 7.770 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.343 3.387 7.394 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.388 2.271 6.389 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.672 3.257 5.650 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.595 1.408 4.591 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.361 1.939 3.497 1.00 16.06 C ATOM 1133 C LEU A 71 -10.562 3.418 3.648 1.00 18.09 C ATOM 1134 O LEU A 71 -10.727 3.969 4.758 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.684 1.082 3.431 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.622 -0.421 3.181 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.004 -1.014 3.119 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.884 -0.728 1.877 1.00 19.57 C ATOM 0 H LEU A 71 -10.143 1.217 5.430 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.848 1.854 2.539 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.210 1.230 4.374 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.307 1.513 2.647 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.078 -0.867 4.014 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.932 -2.087 2.940 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.518 -0.838 4.064 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.564 -0.548 2.308 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.853 -1.806 1.722 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.405 -0.256 1.044 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.867 -0.341 1.935 1.00 19.57 H new